*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-07 2JS1 *TITLE SOLUTION NMR STRUCTURE OF THE HOMODIMER PROTEIN YVFG FROM *TITLE 2 BACILLUS SUBTILIS, NORTHEAST STRUCTURAL GENOMICS *TITLE 3 CONSORTIUM TARGET SR478 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YVFG; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 STRAIN: 168; *SOURCE 5 GENE: YVFG, BSU34210; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 *KEYWDS HELICAL BUNDLE, HOMODIMER, STRUCTURAL GENOMICS, PSI-2, *KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 3 CONSORTIUM, NESG *EXPDTA NMR, 20 STRUCTURES *AUTHOR M.A.MACNAUGHTAN, T.WELDEGHIORGHIS, X.WANG, S.BANSAL, F.TIAN, *AUTHOR 2 D.WANG, H.JANJUA, K.CUNNINGHAM, L-C.MA, R.XIAO, J.LIU, *AUTHOR 3 M.C.BARAN, G.V.T.SWAPNA, T.B.ACTON, B.ROST, G.T.MONTELIONE, *AUTHOR 4 J.H.PRESTEGARD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM *AUTHOR 5 (NESG) *REVDAT 2 14-AUG-07 2JS1 1 TITLE *REVDAT 1 24-JUL-07 2JS1 0 # # This is an updated constraint file in which the authors corrected their data. # assign ( resid 7 and name HA ) ( resid 7 and name HG1# ) 4.09 2.29 0.00 peak 1 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG1# ) ( resid 40 and name HB ) 6.00 4.20 0.00 peak 5 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG2# ) ( resid 40 and name HB ) 6.00 4.20 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HA ) ( resid 40 and name HB ) 6.00 4.20 0.00 peak 7 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HB ) ( resid 41 and name HN ) 6.00 4.20 0.00 peak 10 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HA ) ( resid 52 and name HG1# ) 3.45 1.65 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HA ) ( resid 41 and name HG ) 4.15 2.35 0.00 peak 21 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HA ) ( resid 14 and name HD2# ) 4.20 2.40 0.00 peak 22 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HA ) ( resid 62 and name HB# ) 6.00 4.20 0.00 peak 23 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HA ) ( resid 14 and name HD1# ) 4.20 2.40 0.00 peak 24 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HB ) ( resid 8 and name HA ) 4.84 3.04 0.00 peak 25 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HA ) ( resid 11 and name HB ) 3.59 1.79 0.00 peak 26 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HA ) ( resid 11 and name HG2# ) 4.48 2.68 0.00 peak 28 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HA ) ( resid 11 and name HD1# ) 4.62 2.82 0.00 peak 28 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 30 and name HN ) ! ( resid 66 and name HA ) ! 6.00 4.20 0.00 peak 34 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HA ) ( resid 66 and name HG2# ) 3.43 1.63 0.00 peak 36 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 66 and name HA ) ! ( resid 67 and name HG1 ) ! 6.00 4.20 0.00 peak 38 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HA ) ( resid 37 and name HG1# ) 3.53 1.73 0.00 peak 40 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HA ) ( resid 41 and name HG ) 6.00 4.20 0.00 peak 42 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HA ) ( resid 37 and name HG2# ) 3.53 1.73 0.00 peak 43 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HA ) ( resid 51 and name HG2# ) 3.27 1.47 0.00 peak 52 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HA ) ( resid 51 and name HG1# ) 3.27 1.47 0.00 peak 53 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HA ) ( resid 56 and name HG2# ) 4.05 2.25 0.00 peak 56 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 47 and name HA ) 5.53 3.73 0.00 peak 70 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 46 and name HG ) ! ( resid 47 and name HA ) ! 6.00 4.20 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HA ) ( resid 47 and name HG2# ) 3.59 1.79 0.00 peak 84 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HA ) ( resid 27 and name HD1# ) 3.32 1.52 0.00 peak 89 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HA ) ( resid 19 and name HN ) 6.00 4.20 0.00 peak 102 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HA ) ( resid 20 and name HN ) 6.00 4.20 0.00 peak 102 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HA ) ( resid 25 and name HN ) 6.00 4.20 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HA ) ( resid 18 and name HG1# ) 3.48 1.68 0.00 peak 110 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HN ) ( resid 26 and name HA ) 6.00 4.20 0.00 peak 116 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 65 and name HA ) ( resid 67 and name HN ) 6.00 4.20 0.00 peak 116 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 26 and name HA ) 3.55 1.75 0.00 peak 118 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HD1# ) ( resid 26 and name HA ) 4.87 3.07 0.00 peak 119 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HA ) ( resid 29 and name HB# ) 3.65 1.85 0.00 peak 123 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HB# ) ( resid 30 and name HA ) 6.00 4.20 0.00 peak 124 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HA ) ( resid 66 and name HG2# ) 5.20 3.40 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HN ) ( resid 61 and name HA ) 5.50 3.70 0.00 peak 141 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HA ) ( resid 18 and name HG1# ) 6.00 4.20 0.00 peak 151 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HB ) ( resid 67 and name HA ) 6.00 4.20 0.00 peak 151 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 67 and name HA ) 4.10 2.30 0.00 peak 152 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HA ) ( resid 67 and name HG1 ) 3.44 1.64 0.00 peak 156 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 14 and name HA ) 6.00 4.20 0.00 peak 161 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HA ) ( resid 18 and name HD1# ) 6.00 4.20 0.00 peak 175 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HB ) ( resid 19 and name HA ) 4.76 2.96 0.00 peak 189 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HA ) ( resid 56 and name HD1# ) 4.44 2.64 0.00 peak 213 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HA ) ( resid 73 and name HN ) 3.57 1.77 0.00 peak 219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 58 and name HA ) ( resid 61 and name HN ) 4.14 2.34 0.00 peak 245 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 64 and name HA ) ( resid 67 and name HN ) 3.84 2.04 0.00 peak 251 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 50 and name HB# ) 6.00 4.20 0.00 peak 259 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 46 and name HA ) ! ( resid 46 and name HG ) ! 2.58 0.78 0.00 peak 263 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HA ) ( resid 48 and name HN ) 3.66 1.86 0.00 peak 267 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 46 and name HA ) 2.93 1.13 0.00 peak 268 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HA ) ( resid 52 and name HN ) 5.69 3.89 0.00 peak 269 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 40 and name HG2# ) ! ( resid 43 and name HA ) ! 6.00 4.20 0.00 peak 272 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 40 and name HN ) ! ( resid 43 and name HA ) ! 6.00 4.20 0.00 peak 276 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 74 and name HA ) ( resid 74 and name HG1 ) 4.11 2.31 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 74 and name HA ) ( resid 74 and name HG2 ) 4.11 2.31 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 3 and name HA ) ( resid 4 and name HA ) 4.61 2.81 0.00 peak 279 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 3 and name HA ) ! ( resid 4 and name HG ) ! 6.00 4.20 0.00 peak 283 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HA ) ( resid 73 and name HG ) 3.51 1.71 0.00 peak 298 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HA ) ( resid 25 and name HB1 ) 6.00 4.20 0.00 peak 314 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HB2 ) ( resid 30 and name HN ) 5.83 4.03 0.00 peak 347 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HB2 ) ( resid 46 and name HD2# ) 3.28 1.48 0.00 peak 349 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HD1 ) ( resid 54 and name HE# ) 2.36 0.56 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HD2 ) ( resid 54 and name HE# ) 2.36 0.56 0.00 peak 360 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HB1 ) ( resid 73 and name HD1# ) 3.73 1.93 0.00 peak 376 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HB1 ) ( resid 73 and name HD2# ) 3.73 1.93 0.00 peak 376 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HB2 ) ( resid 73 and name HD1# ) 3.73 1.93 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HB2 ) ( resid 73 and name HD2# ) 3.73 1.93 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD1# ) ( resid 56 and name HB ) 5.17 3.37 0.00 peak 408 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG2# ) ( resid 61 and name HG2 ) 6.00 4.20 0.00 peak 415 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 17 and name HN ) ! ( resid 24 and name HG1 ) ! 6.00 4.20 0.00 peak 420 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HN ) ( resid 24 and name HG2 ) 6.00 4.20 0.00 peak 450 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG1 ) ( resid 17 and name HN ) 6.00 4.20 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG1 ) ( resid 21 and name HN ) 5.17 3.37 0.00 peak 493 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG2 ) ( resid 17 and name HN ) 6.00 4.20 0.00 peak 506 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 26 and name HB2 ) 4.06 2.26 0.00 peak 516 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HN ) ( resid 72 and name HB1 ) 4.02 2.22 0.00 peak 518 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HN ) ( resid 66 and name HB ) 4.17 2.37 0.00 peak 535 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 64 and name HN ) ( resid 66 and name HB ) 6.00 4.20 0.00 peak 537 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 67 and name HB1 ) 6.00 4.20 0.00 peak 544 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HB1 ) ( resid 25 and name HN ) 6.00 4.20 0.00 peak 547 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 51 and name HB ) 6.00 4.20 0.00 peak 547 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HN ) ( resid 24 and name HB1 ) 6.00 4.20 0.00 peak 552 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 17 and name HN ) ! ( resid 24 and name HB2 ) ! 5.09 3.29 0.00 peak 554 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HB ) ( resid 53 and name HN ) 4.56 2.76 0.00 peak 555 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 70 and name HB2 ) ( resid 71 and name HN ) 4.13 2.33 0.00 peak 584 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HN ) ( resid 68 and name HB1 ) 6.00 4.20 0.00 peak 586 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HB2 ) ( resid 23 and name HN ) 4.16 2.36 0.00 peak 629 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 37 and name HB ) ! ( resid 41 and name HG ) ! 6.00 4.20 0.00 peak 672 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HG ) ( resid 48 and name HN ) 6.00 4.20 0.00 peak 674 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 46 and name HG ) 5.36 3.56 0.00 peak 677 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HG ) ( resid 74 and name HN ) 4.46 2.66 0.00 peak 681 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HN ) ( resid 73 and name HG ) 4.49 2.69 0.00 peak 682 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 40 and name HN ) ! ( resid 41 and name HG ) ! 6.00 4.20 0.00 peak 692 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 39 and name HN ) ! ( resid 41 and name HG ) ! 6.00 4.20 0.00 peak 695 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 59 and name HD2# ) ! ( resid 63 and name HA ) ! 6.00 4.20 0.00 peak 713 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD1# ) ( resid 62 and name HN ) 6.00 4.20 0.00 peak 736 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HG ) ( resid 60 and name HN ) 6.00 4.20 0.00 peak 740 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 66 and name HG2# ) 3.96 2.16 0.00 peak 751 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 46 and name HD1# ) 4.91 3.11 0.00 peak 757 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 67 and name HG1 ) 4.93 3.13 0.00 peak 773 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HB1 ) ( resid 46 and name HD1# ) 3.28 1.48 0.00 peak 786 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HB2 ) ( resid 46 and name HD1# ) 3.28 1.48 0.00 peak 787 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 53 and name HD1# ) 4.53 2.73 0.00 peak 792 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HA ) ( resid 53 and name HD1# ) 4.21 2.41 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 53 and name HD2# ) 4.53 2.73 0.00 peak 796 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD2# ) ( resid 56 and name HB ) 5.17 3.37 0.00 peak 800 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HA ) ( resid 53 and name HD2# ) 4.21 2.41 0.00 peak 804 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD2# ) ( resid 10 and name HE# ) 4.98 3.18 0.00 peak 809 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD2# ) ( resid 10 and name HD# ) 6.00 4.20 0.00 peak 810 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD2# ) ( resid 9 and name HE# ) 4.75 2.95 0.00 peak 811 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HA ) ( resid 4 and name HD2# ) 4.34 2.54 0.00 peak 812 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 4 and name HD2# ) 6.00 4.20 0.00 peak 817 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD1# ) ( resid 10 and name HE# ) 4.98 3.18 0.00 peak 820 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD1# ) ( resid 10 and name HD# ) 6.00 4.20 0.00 peak 821 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD1# ) ( resid 9 and name HE# ) 4.75 2.95 0.00 peak 822 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD1# ) ( resid 9 and name HD# ) 5.59 3.79 0.00 peak 823 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HA ) ( resid 4 and name HD1# ) 4.34 2.54 0.00 peak 824 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HN ) ( resid 7 and name HG2# ) 4.85 3.05 0.00 peak 829 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 47 and name HG2# ) 6.00 4.20 0.00 peak 830 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 52 and name HN ) 4.99 3.19 0.00 peak 831 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 46 and name HD2# ) 4.91 3.11 0.00 peak 841 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 48 and name HN ) 3.95 2.15 0.00 peak 862 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 51 and name HN ) 6.00 4.20 0.00 peak 864 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HA ) ( resid 7 and name HG2# ) 4.09 2.29 0.00 peak 865 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 47 and name HG2# ) ! ( resid 51 and name HB ) ! 3.06 1.26 0.00 peak 867 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 52 and name HG2# ) 5.13 3.33 0.00 peak 875 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HA ) ( resid 52 and name HG2# ) 3.45 1.65 0.00 peak 880 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HB1 ) ( resid 46 and name HD2# ) 3.28 1.48 0.00 peak 884 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HZ ) ( resid 37 and name HG1# ) 4.31 2.51 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HE# ) ( resid 37 and name HG1# ) 4.11 2.31 0.00 peak 889 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HE# ) ( resid 37 and name HG2# ) 4.11 2.31 0.00 peak 904 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 51 and name HG2# ) 5.55 3.75 0.00 peak 918 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HN ) ( resid 51 and name HG2# ) 4.92 3.12 0.00 peak 920 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HA ) ( resid 66 and name HG1# ) 5.20 3.40 0.00 peak 929 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 66 and name HG1# ) 3.88 2.08 0.00 peak 932 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 66 and name HA ) ! ( resid 66 and name HG1# ) ! 3.43 1.63 0.00 peak 933 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 52 and name HG1# ) 5.13 3.33 0.00 peak 942 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 62 and name HN ) ( resid 62 and name HB# ) 4.09 2.29 0.00 peak 956 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HA ) ( resid 62 and name HB# ) 6.00 4.20 0.00 peak 957 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD1# ) ( resid 62 and name HB# ) 3.91 2.11 0.00 peak 959 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HA ) ( resid 40 and name HG2# ) 3.55 1.75 0.00 peak 965 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HA ) ( resid 40 and name HG2# ) 5.52 3.72 0.00 peak 967 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG1# ) ( resid 61 and name HG1 ) 6.00 4.20 0.00 peak 974 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG1# ) ( resid 61 and name HG2 ) 6.00 4.20 0.00 peak 977 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HN ) ( resid 59 and name HD1# ) 5.39 3.59 0.00 peak 990 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 59 and name HD1# ) ! ( resid 63 and name HA ) ! 6.00 4.20 0.00 peak 991 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG2# ) ( resid 43 and name HN ) 5.19 3.39 0.00 peak 1017 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HN ) ( resid 42 and name HG2# ) 4.09 2.29 0.00 peak 1021 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HB# ) ( resid 51 and name HN ) 4.61 2.81 0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HE2 ) ( resid 50 and name HB# ) 5.27 3.47 0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HE1 ) ( resid 50 and name HB# ) 5.27 3.47 0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HB# ) ( resid 51 and name HB ) 6.00 4.20 0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HN ) ( resid 50 and name HB# ) 3.44 1.64 0.00 peak 1038 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HB# ) ( resid 53 and name HN ) 5.44 3.64 0.00 peak 1040 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 39 and name HN ) ! ( resid 56 and name HG2# ) ! 6.00 4.20 0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 53 and name HN ) ! ( resid 56 and name HG2# ) ! 6.00 4.20 0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HN ) ( resid 56 and name HG2# ) 6.00 4.20 0.00 peak 1046 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HG2# ) ( resid 57 and name HN ) 6.00 4.20 0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HG2# ) ( resid 60 and name HN ) 6.00 4.20 0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HA ) ( resid 56 and name HG2# ) 6.00 4.20 0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HG2# ) ( resid 57 and name HA ) 6.00 4.20 0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 42 and name HB ) ! ( resid 56 and name HG2# ) ! 6.00 4.20 0.00 peak 1053 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HA ) ( resid 56 and name HG2# ) 6.00 4.20 0.00 peak 1055 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HN ) ( resid 29 and name HB# ) 3.80 2.00 0.00 peak 1056 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HB1 ) ( resid 29 and name HB# ) 5.10 3.30 0.00 peak 1060 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HN ) ( resid 29 and name HB# ) 3.86 2.06 0.00 peak 1064 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HA ) ( resid 29 and name HB# ) 4.23 2.43 0.00 peak 1067 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG2# ) ( resid 29 and name HB# ) 5.40 3.60 0.00 peak 1073 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG2# ) ( resid 28 and name HN ) 6.00 4.20 0.00 peak 1078 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 27 and name HG2# ) 6.00 4.20 0.00 peak 1084 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 18 and name HG1# ) 3.35 1.55 0.00 peak 1087 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HN ) ( resid 18 and name HG2# ) 5.06 3.26 0.00 peak 1088 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HN ) ( resid 18 and name HG2# ) 4.43 2.63 0.00 peak 1089 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 19 and name HN ) 4.72 2.92 0.00 peak 1090 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HA ) ( resid 18 and name HG2# ) 5.28 3.48 0.00 peak 1091 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HA ) ( resid 18 and name HG2# ) 3.81 2.01 0.00 peak 1092 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 18 and name HG1# ) 3.19 1.39 0.00 peak 1095 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 29 and name HB# ) 3.62 1.82 0.00 peak 1096 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 14 and name HN ) 6.00 4.20 0.00 peak 1114 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 62 and name HA ) 4.50 2.70 0.00 peak 1116 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HA ) ( resid 11 and name HG2# ) 4.13 2.33 0.00 peak 1117 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 62 and name HB# ) 3.41 1.61 0.00 peak 1120 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 62 and name HA ) 4.49 2.69 0.00 peak 1125 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HA ) ( resid 11 and name HD1# ) 6.00 4.20 0.00 peak 1126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HB ) ( resid 11 and name HD1# ) 2.98 1.18 0.00 peak 1130 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 62 and name HB# ) 3.56 1.76 0.00 peak 1132 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HN ) ( resid 18 and name HD1# ) 4.99 3.19 0.00 peak 1135 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HD1# ) ( resid 19 and name HA ) 6.00 4.20 0.00 peak 1136 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HD1# ) ( resid 29 and name HB# ) 4.55 2.75 0.00 peak 1137 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HA ) ( resid 18 and name HD1# ) 3.94 2.14 0.00 peak 1139 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HA ) ( resid 18 and name HD1# ) 4.49 2.69 0.00 peak 1140 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HN ) ( resid 56 and name HD1# ) 5.19 3.39 0.00 peak 1146 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HA ) ( resid 56 and name HD1# ) 6.00 4.20 0.00 peak 1148 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HB ) ( resid 56 and name HD1# ) 5.86 4.06 0.00 peak 1149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HB ) ( resid 56 and name HD1# ) 3.48 1.68 0.00 peak 1150 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 67 and name HN ) 6.00 4.20 0.00 peak 1153 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 71 and name HN ) 4.98 3.18 0.00 peak 1154 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HN ) ( resid 27 and name HD1# ) 5.00 3.20 0.00 peak 1155 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 63 and name HE# ) 6.00 4.20 0.00 peak 1156 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HB ) ( resid 27 and name HD1# ) 3.28 1.48 0.00 peak 1161 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HA ) ( resid 24 and name HB2 ) 6.00 4.20 0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG2# ) ( resid 61 and name HG1 ) 6.00 4.20 0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HN ) ( resid 41 and name HG ) 6.00 4.20 0.00 peak 1211 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD2# ) ( resid 62 and name HB# ) 3.91 2.11 0.00 peak 1213 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HD# ) ( resid 59 and name HD2# ) 6.00 4.20 0.00 peak 1215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 51 and name HG2# ) 2.79 0.99 0.00 peak 1218 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 51 and name HG1# ) 2.79 0.99 0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG1# ) ( resid 29 and name HB# ) 5.35 3.55 0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HB# ) ( resid 66 and name HB ) 5.61 3.81 0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HA ) ( resid 20 and name HE# ) 4.71 2.91 0.00 peak 1231 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 19 and name HN ) ( resid 20 and name HE# ) 5.85 4.05 0.00 peak 1233 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HN ) ( resid 20 and name HE# ) 6.00 4.20 0.00 peak 1234 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 56 and name HD1# ) ! ( resid 60 and name HN ) ! 6.00 4.20 0.00 peak 1243 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 3 and name HA ) ( resid 4 and name HN ) 3.44 1.64 0.00 peak 45 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 4 and name HG ) 4.88 3.08 0.00 peak 48 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 4 and name HD1# ) 6.00 4.20 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 51 and name HN ) 6.00 4.20 0.00 peak 59 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HN ) ( resid 48 and name HN ) 5.37 3.57 0.00 peak 66 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HA ) ( resid 48 and name HN ) 3.28 1.48 0.00 peak 67 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HB ) ( resid 48 and name HN ) 6.00 4.20 0.00 peak 72 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 51 and name HG1# ) 5.55 3.75 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HB1 ) ( resid 26 and name HN ) 4.39 2.59 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 26 and name HB1 ) 4.06 2.26 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 26 and name HG1 ) 5.14 3.34 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 26 and name HG2 ) 5.14 3.34 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HN ) ( resid 46 and name HG ) 6.00 4.20 0.00 peak 86 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 45 and name HN ) ! ( resid 47 and name HN ) ! 4.83 3.03 0.00 peak 89 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 15 and name HA ) 5.96 4.16 0.00 peak 96 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HN ) ( resid 14 and name HN ) 5.65 3.85 0.00 peak 101 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 16 and name HN ) 5.85 4.05 0.00 peak 101 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 14 and name HG ) 3.83 2.03 0.00 peak 107 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 14 and name HD2# ) 3.96 2.16 0.00 peak 108 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 14 and name HD1# ) 3.96 2.16 0.00 peak 109 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 33 and name HE# ) 6.00 4.20 0.00 peak 110 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HA ) ( resid 29 and name HN ) 4.98 3.18 0.00 peak 112 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 29 and name HN ) ! ( resid 30 and name HE# ) ! 6.00 4.20 0.00 peak 113 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 28 and name HN ) ( resid 29 and name HN ) 4.15 2.35 0.00 peak 115 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HB2 ) ( resid 29 and name HN ) 4.46 2.66 0.00 peak 119 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HN ) ( resid 31 and name HN ) 6.00 4.20 0.00 peak 122 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HN ) ( resid 29 and name HN ) 5.65 3.85 0.00 peak 123 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HB ) ( resid 29 and name HN ) 6.00 4.20 0.00 peak 125 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG2# ) ( resid 29 and name HN ) 6.00 4.20 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HN ) ( resid 59 and name HD1# ) 4.98 3.18 0.00 peak 133 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HN ) ( resid 59 and name HD2# ) 4.98 3.18 0.00 peak 134 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HD1# ) ( resid 59 and name HN ) 6.00 4.20 0.00 peak 139 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HB ) ( resid 59 and name HN ) 6.00 4.20 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 71 and name HA ) ( resid 72 and name HN ) 3.07 1.27 0.00 peak 144 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HN ) ( resid 74 and name HG1 ) 6.00 4.20 0.00 peak 147 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HN ) ( resid 74 and name HG2 ) 6.00 4.20 0.00 peak 147 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HN ) ( resid 72 and name HB2 ) 4.02 2.22 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 62 and name HA ) 5.83 4.03 0.00 peak 154 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 62 and name HB# ) 4.38 2.58 0.00 peak 157 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 11 and name HD1# ) 4.03 2.23 0.00 peak 158 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 13 and name HN ) 6.00 4.20 0.00 peak 161 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 11 and name HB ) 3.37 1.57 0.00 peak 162 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HN ) ( resid 28 and name HN ) 6.00 4.20 0.00 peak 170 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HA ) ( resid 41 and name HN ) 6.00 4.20 0.00 peak 173 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 25 and name HN ) ! ( resid 25 and name HB1 ) ! 3.39 1.59 0.00 peak 175 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HB2 ) ( resid 25 and name HN ) 3.75 1.95 0.00 peak 176 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 72 and name HN ) ! ( resid 73 and name HN ) ! 3.54 1.74 0.00 peak 178 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 32 and name HN ) ( resid 33 and name HN ) 3.91 2.11 0.00 peak 186 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HN ) ( resid 33 and name HD# ) 4.91 3.11 0.00 peak 187 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HN ) ( resid 33 and name HB1 ) 3.88 2.08 0.00 peak 188 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HA ) ( resid 33 and name HN ) 4.44 2.64 0.00 peak 189 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HN ) ( resid 33 and name HB2 ) 3.88 2.08 0.00 peak 190 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HN ) ( resid 50 and name HA ) 5.70 3.90 0.00 peak 194 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 49 and name HN ) 4.56 2.76 0.00 peak 196 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HA ) ( resid 49 and name HN ) 3.11 1.31 0.00 peak 198 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HN ) ( resid 49 and name HB1 ) 4.14 2.34 0.00 peak 200 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HN ) ( resid 49 and name HB2 ) 4.14 2.34 0.00 peak 201 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 11 and name HG2# ) 4.12 2.32 0.00 peak 205 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 2 and name HB1 ) ( resid 3 and name HN ) 5.08 3.28 0.00 peak 206 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 3 and name HN ) ( resid 4 and name HN ) 6.00 4.20 0.00 peak 207 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 2 and name HB2 ) ( resid 3 and name HN ) 5.08 3.28 0.00 peak 209 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HN ) ( resid 41 and name HN ) 3.76 1.96 0.00 peak 212 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 14 and name HA ) ! ( resid 25 and name HN ) ! 6.00 4.20 0.00 peak 216 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 41 and name HN ) 4.55 2.75 0.00 peak 219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HN ) ( resid 42 and name HN ) 3.55 1.75 0.00 peak 222 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HE# ) ( resid 37 and name HN ) 6.00 4.20 0.00 peak 226 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HD# ) ( resid 37 and name HN ) 6.00 4.20 0.00 peak 226 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HN ) ( resid 37 and name HB ) 3.77 1.97 0.00 peak 231 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HN ) ( resid 59 and name HD2# ) 5.39 3.59 0.00 peak 235 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HN ) ( resid 37 and name HN ) 6.00 4.20 0.00 peak 236 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HB# ) ( resid 33 and name HN ) 6.00 4.20 0.00 peak 237 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 14 and name HD2# ) ! ( resid 62 and name HN ) ! 6.00 4.20 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HN ) ( resid 25 and name HN ) 4.41 2.61 0.00 peak 259 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 3.39 1.59 0.00 peak 260 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HN ) ( resid 24 and name HB2 ) 3.59 1.79 0.00 peak 264 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HA ) ( resid 24 and name HN ) 6.00 4.20 0.00 peak 267 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 74 and name HN ) ! ( resid 75 and name HN ) ! 3.61 1.81 0.00 peak 268 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HA ) ( resid 74 and name HN ) 3.22 1.42 0.00 peak 269 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HN ) ( resid 11 and name HN ) 4.31 2.51 0.00 peak 274 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 9 and name HD# ) ( resid 10 and name HN ) 4.68 2.88 0.00 peak 275 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 4.24 2.44 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 9 and name HE# ) ! ( resid 10 and name HN ) ! 4.92 3.12 0.00 peak 279 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 65 and name HN ) ( resid 67 and name HN ) 4.71 2.91 0.00 peak 282 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HN ) ( resid 68 and name HN ) 3.61 1.81 0.00 peak 283 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 67 and name HN ) ! ( resid 67 and name HB1 ) ! 2.88 1.08 0.00 peak 288 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HN ) ( resid 67 and name HB2 ) 3.66 1.86 0.00 peak 289 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HA ) ( resid 10 and name HN ) 4.85 3.05 0.00 peak 292 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HN ) ( resid 60 and name HN ) 3.82 2.02 0.00 peak 295 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HD1# ) ( resid 60 and name HN ) 6.00 4.20 0.00 peak 297 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 59 and name HB2 ) ! ( resid 60 and name HN ) ! 3.28 1.48 0.00 peak 302 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HN ) ( resid 67 and name HG1 ) 4.66 2.86 0.00 peak 303 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HN ) ( resid 66 and name HG2# ) 3.70 1.90 0.00 peak 304 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HN ) ( resid 66 and name HG1# ) 3.70 1.90 0.00 peak 305 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 53 and name HA ) 6.00 4.20 0.00 peak 313 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HD2# ) ( resid 60 and name HN ) 6.00 4.20 0.00 peak 318 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 45 and name HN ) ! ( resid 46 and name HN ) ! 3.61 1.81 0.00 peak 324 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 47 and name HB ) 5.29 3.49 0.00 peak 326 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 65 and name HN ) ( resid 66 and name HN ) 3.41 1.61 0.00 peak 334 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HN ) ( resid 25 and name HN ) 6.00 4.20 0.00 peak 342 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HN ) ( resid 41 and name HN ) 6.00 4.20 0.00 peak 342 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HN ) ( resid 38 and name HN ) 3.55 1.75 0.00 peak 343 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HN ) ( resid 39 and name HN ) 3.87 2.07 0.00 peak 343 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HN ) ( resid 40 and name HN ) 5.93 4.13 0.00 peak 344 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HA ) ( resid 18 and name HN ) 4.44 2.64 0.00 peak 345 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG2# ) ( resid 38 and name HN ) 4.63 2.83 0.00 peak 351 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HE# ) ( resid 38 and name HN ) 6.00 4.20 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HD# ) ( resid 38 and name HN ) 6.00 4.20 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 38 and name HN ) 6.00 4.20 0.00 peak 353 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HB ) ( resid 38 and name HN ) 4.58 2.78 0.00 peak 354 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 52 and name HN ) 4.98 3.18 0.00 peak 356 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 52 and name HB ) 3.70 1.90 0.00 peak 357 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 69 and name HN ) ( resid 70 and name HN ) 3.33 1.53 0.00 peak 362 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 70 and name HN ) 4.88 3.08 0.00 peak 363 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HA ) ( resid 70 and name HN ) 4.29 2.49 0.00 peak 368 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 70 and name HN ) 5.25 3.45 0.00 peak 373 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HN ) ( resid 40 and name HB ) 6.00 4.20 0.00 peak 374 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HN ) ( resid 29 and name HB# ) 4.93 3.13 0.00 peak 378 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HN ) ( resid 18 and name HG1# ) 3.55 1.75 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG1# ) ( resid 38 and name HN ) 4.63 2.83 0.00 peak 382 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HN ) ( resid 7 and name HB ) 4.07 2.27 0.00 peak 387 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HN ) ( resid 7 and name HG1# ) 4.85 3.05 0.00 peak 389 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HN ) ( resid 10 and name HN ) 6.00 4.20 0.00 peak 390 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HN ) ( resid 36 and name HN ) 6.00 4.20 0.00 peak 396 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HN ) ( resid 34 and name HN ) 3.85 2.05 0.00 peak 398 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HN ) ( resid 35 and name HN ) 4.15 2.35 0.00 peak 398 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 32 and name HN ) ( resid 34 and name HN ) 6.00 4.20 0.00 peak 407 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HN ) ( resid 57 and name HN ) 4.26 2.46 0.00 peak 411 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HA ) ( resid 57 and name HN ) 4.49 2.69 0.00 peak 412 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 55 and name HA ) ( resid 57 and name HN ) 4.84 3.04 0.00 peak 412 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HD1# ) ( resid 57 and name HN ) 4.52 2.72 0.00 peak 414 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HN ) ( resid 51 and name HA ) 6.00 4.20 0.00 peak 417 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HA ) ( resid 34 and name HN ) 3.89 2.09 0.00 peak 418 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 47 and name HN ) 3.23 1.43 0.00 peak 420 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HA ) ( resid 47 and name HN ) 3.55 1.75 0.00 peak 421 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HN ) ( resid 47 and name HB ) 3.74 1.94 0.00 peak 423 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HN ) ( resid 47 and name HG2# ) 4.21 2.41 0.00 peak 425 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HN ) ( resid 51 and name HG1# ) 4.92 3.12 0.00 peak 426 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HN ) ( resid 50 and name HN ) 4.18 2.38 0.00 peak 427 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HN ) ( resid 52 and name HN ) 4.98 3.18 0.00 peak 428 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HN ) ( resid 51 and name HN ) 3.87 2.07 0.00 peak 429 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 50 and name HN ) 6.00 4.20 0.00 peak 442 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 74 and name HA ) ( resid 75 and name HN ) 3.37 1.57 0.00 peak 447 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 47 and name HN ) ! ( resid 51 and name HA ) ! 6.00 4.20 0.00 peak 451 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 44 and name HN ) ( resid 45 and name HN ) 4.68 2.88 0.00 peak 453 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 44 and name HN ) 6.00 4.20 0.00 peak 458 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HN ) ( resid 44 and name HN ) 5.16 3.36 0.00 peak 460 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HA ) ( resid 44 and name HN ) 5.42 3.62 0.00 peak 462 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HB ) ( resid 44 and name HN ) 5.64 3.84 0.00 peak 464 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 25 and name HA ) ! ( resid 28 and name HN ) ! 4.64 2.84 0.00 peak 468 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HB2 ) ( resid 28 and name HN ) 3.71 1.91 0.00 peak 469 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HN ) ( resid 22 and name HN ) 3.90 2.10 0.00 peak 471 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 20 and name HN ) ! ( resid 21 and name HN ) ! 3.26 1.46 0.00 peak 472 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HN ) ( resid 22 and name HA ) 4.48 2.68 0.00 peak 476 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG2 ) ( resid 21 and name HN ) 5.17 3.37 0.00 peak 483 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 54 and name HN ) 3.79 1.99 0.00 peak 486 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HN ) ( resid 55 and name HN ) 4.11 2.31 0.00 peak 486 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 54 and name HN ) 4.42 2.62 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HN ) ( resid 56 and name HN ) 5.09 3.29 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HA ) ( resid 54 and name HN ) 4.33 2.53 0.00 peak 488 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HN ) ( resid 54 and name HN ) 6.00 4.20 0.00 peak 491 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 63 and name HN ) 6.00 4.20 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 62 and name HN ) ( resid 63 and name HN ) 3.73 1.93 0.00 peak 497 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 62 and name HB# ) ( resid 63 and name HN ) 4.21 2.41 0.00 peak 502 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 63 and name HN ) 5.65 3.85 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HG ) ( resid 63 and name HN ) 6.00 4.20 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HN ) ( resid 66 and name HB ) 6.00 4.20 0.00 peak 508 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HD# ) ( resid 63 and name HN ) 5.78 3.98 0.00 peak 509 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HA ) ( resid 63 and name HN ) 6.00 4.20 0.00 peak 510 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HN ) ( resid 64 and name HA ) 6.00 4.20 0.00 peak 510 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HN ) ( resid 62 and name HA ) 6.00 4.20 0.00 peak 514 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HN ) ( resid 24 and name HN ) 4.71 2.91 0.00 peak 517 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HA ) ( resid 22 and name HN ) 3.42 1.62 0.00 peak 519 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HA ) ( resid 22 and name HN ) 6.00 4.20 0.00 peak 521 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HN ) ( resid 57 and name HN ) 5.82 4.02 0.00 peak 535 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HN ) ( resid 61 and name HN ) 6.00 4.20 0.00 peak 540 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 61 and name HN ) 5.89 4.09 0.00 peak 543 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 6 and name HN ) ! ( resid 9 and name HN ) ! 4.07 2.27 0.00 peak 545 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 9 and name HN ) ( resid 9 and name HD# ) 5.30 3.50 0.00 peak 546 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HA ) ( resid 9 and name HN ) 3.73 1.93 0.00 peak 550 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HB ) ( resid 9 and name HN ) 4.79 2.99 0.00 peak 554 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 4 and name HA ) ! ( resid 9 and name HN ) ! 6.00 4.20 0.00 peak 558 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 33 and name HD# ) 6.00 4.20 0.00 peak 560 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 27 and name HN ) 3.81 2.01 0.00 peak 564 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HN ) ( resid 28 and name HN ) 3.96 2.16 0.00 peak 566 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 25 and name HA ) ! ( resid 27 and name HN ) ! 4.86 3.06 0.00 peak 567 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HG1 ) ( resid 27 and name HN ) 5.13 3.33 0.00 peak 572 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HG2 ) ( resid 27 and name HN ) 5.13 3.33 0.00 peak 572 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HN ) ( resid 27 and name HG2# ) 3.91 2.11 0.00 peak 573 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HN ) ( resid 16 and name HN ) 3.39 1.59 0.00 peak 576 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HN ) ( resid 30 and name HN ) 3.64 1.84 0.00 peak 583 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 30 and name HN ) 5.68 3.88 0.00 peak 592 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 28 and name HN ) ( resid 30 and name HN ) 5.61 3.81 0.00 peak 594 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 55 and name HN ) ( resid 58 and name HN ) 5.64 3.84 0.00 peak 595 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 58 and name HN ) ( resid 59 and name HN ) 3.73 1.93 0.00 peak 596 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 66 and name HB ) 4.48 2.68 0.00 peak 600 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 58 and name HN ) ( resid 59 and name HB2 ) 4.80 3.00 0.00 peak 601 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG2# ) ( resid 30 and name HN ) 6.00 4.20 0.00 peak 605 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 27 and name HD1# ) ! ( resid 30 and name HN ) ! 6.00 4.20 0.00 peak 605 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HD1# ) ( resid 58 and name HN ) 6.00 4.20 0.00 peak 606 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HA ) ( resid 12 and name HN ) 4.13 2.33 0.00 peak 610 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HB ) ( resid 12 and name HN ) 3.02 1.22 0.00 peak 612 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HN ) ( resid 43 and name HN ) 5.54 3.74 0.00 peak 616 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HN ) ( resid 43 and name HN ) 3.93 2.13 0.00 peak 617 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 43 and name HN ) ( resid 44 and name HN ) 3.37 1.57 0.00 peak 619 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HA ) ( resid 43 and name HN ) 4.56 2.76 0.00 peak 621 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HB ) ( resid 43 and name HN ) 4.21 2.41 0.00 peak 624 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 43 and name HN ) 6.00 4.20 0.00 peak 626 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG1# ) ( resid 43 and name HN ) 5.19 3.39 0.00 peak 627 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 31 and name HN ) ( resid 33 and name HN ) 6.00 4.20 0.00 peak 629 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 31 and name HN ) ! ( resid 34 and name HD# ) ! 5.68 3.88 0.00 peak 631 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HE# ) ( resid 31 and name HN ) 5.73 3.93 0.00 peak 636 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HB# ) ( resid 31 and name HN ) 6.00 4.20 0.00 peak 637 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 31 and name HN ) 4.01 2.21 0.00 peak 638 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG2# ) ( resid 31 and name HN ) 5.86 4.06 0.00 peak 643 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HN ) ( resid 12 and name HN ) 5.63 3.83 0.00 peak 647 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 55 and name HN ) ( resid 57 and name HN ) 6.00 4.20 0.00 peak 653 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 55 and name HN ) ( resid 56 and name HN ) 3.65 1.85 0.00 peak 654 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 4.08 2.28 0.00 peak 660 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 3.54 1.74 0.00 peak 664 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HA ) ( resid 56 and name HN ) 4.51 2.71 0.00 peak 675 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HA ) ( resid 56 and name HN ) 5.38 3.58 0.00 peak 677 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HN ) ( resid 64 and name HN ) 4.25 2.45 0.00 peak 682 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 64 and name HN ) ( resid 68 and name HN ) 6.00 4.20 0.00 peak 683 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HE# ) ( resid 64 and name HN ) 4.38 2.58 0.00 peak 685 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 64 and name HN ) 6.00 4.20 0.00 peak 690 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 4.10 2.30 0.00 peak 692 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 12 and name HN ) 3.79 1.99 0.00 peak 693 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HA ) ( resid 55 and name HN ) 4.36 2.56 0.00 peak 696 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 13 and name HN ) ( resid 33 and name HE# ) 5.63 3.83 0.00 peak 702 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HN ) ( resid 52 and name HN ) 4.13 2.33 0.00 peak 707 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HA ) ( resid 51 and name HN ) 5.24 3.44 0.00 peak 708 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HN ) ( resid 51 and name HG2# ) 3.87 2.07 0.00 peak 713 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HN ) ( resid 51 and name HG1# ) 3.87 2.07 0.00 peak 714 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HN ) ( resid 53 and name HN ) 5.25 3.45 0.00 peak 716 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HN ) ( resid 18 and name HD1# ) 4.40 2.60 0.00 peak 720 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 15 and name HN ) 4.24 2.44 0.00 peak 721 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 14 and name HG ) ! ( resid 15 and name HN ) ! 3.33 1.53 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HA ) ( resid 15 and name HN ) 5.52 3.72 0.00 peak 729 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HN ) ( resid 19 and name HN ) 4.01 2.21 0.00 peak 732 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 13 and name HN ) 6.00 4.20 0.00 peak 733 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 4.08 2.28 0.00 peak 736 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HN ) ( resid 13 and name HN ) 3.37 1.57 0.00 peak 737 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 13 and name HN ) ( resid 15 and name HN ) 5.01 3.21 0.00 peak 747 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 70 and name HB1 ) ( resid 71 and name HN ) 4.13 2.33 0.00 peak 760 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 32 and name HN ) 4.48 2.68 0.00 peak 764 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 31 and name HN ) ( resid 32 and name HN ) 4.39 2.59 0.00 peak 769 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 68 and name HN ) 6.00 4.20 0.00 peak 775 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 53 and name HN ) 4.08 2.28 0.00 peak 777 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 53 and name HN ) 5.24 3.44 0.00 peak 780 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 56 and name HB ) 6.00 4.20 0.00 peak 787 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 64 and name HA ) ( resid 68 and name HN ) 4.04 2.24 0.00 peak 790 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 68 and name HN ) ! ( resid 68 and name HB1 ) ! 3.02 1.22 0.00 peak 794 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 67 and name HB1 ) ! ( resid 68 and name HN ) ! 3.24 1.44 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HB2 ) ( resid 68 and name HN ) 4.15 2.35 0.00 peak 796 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HG1 ) ( resid 68 and name HN ) 4.52 2.72 0.00 peak 797 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HA ) ( resid 68 and name HN ) 6.00 4.20 0.00 peak 798 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 70 and name HG1 ) 6.00 4.20 0.00 peak 800 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 70 and name HG2 ) 6.00 4.20 0.00 peak 801 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HN ) ( resid 20 and name HN ) 6.00 4.20 0.00 peak 803 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HN ) ( resid 20 and name HN ) 5.93 4.13 0.00 peak 806 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 20 and name HN ) ( resid 21 and name HA ) 6.00 4.20 0.00 peak 811 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 6 and name HN ) ( resid 7 and name HN ) 6.00 4.20 0.00 peak 840 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 23 and name HN ) ! ( resid 25 and name HN ) ! 4.56 2.76 0.00 peak 845 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HA ) ( resid 23 and name HN ) 4.54 2.74 0.00 peak 847 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HA ) ( resid 23 and name HN ) 3.55 1.75 0.00 peak 849 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HB1 ) ( resid 23 and name HN ) 4.16 2.36 0.00 peak 852 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 23 and name HN ) ( resid 24 and name HB2 ) 4.22 2.42 0.00 peak 853 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 23 and name HN ) ( resid 24 and name HA ) 5.60 3.80 0.00 peak 854 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HA ) ( resid 6 and name HN ) 6.00 4.20 0.00 peak 857 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 6 and name HN ) 6.00 4.20 0.00 peak 859 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HN ) ( resid 42 and name HN ) 5.53 3.73 0.00 peak 875 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HN ) ( resid 40 and name HG2# ) 3.99 2.19 0.00 peak 877 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 36 and name HN ) ( resid 38 and name HN ) 5.92 4.12 0.00 peak 894 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 36 and name HN ) ( resid 37 and name HN ) 3.70 1.90 0.00 peak 895 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HN ) ( resid 40 and name HN ) 3.98 2.18 0.00 peak 895 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HN ) ( resid 40 and name HB ) 6.00 4.20 0.00 peak 986 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HN ) ( resid 41 and name HN ) 6.00 4.20 0.00 peak 988 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HN ) ( resid 42 and name HB ) 5.60 3.80 0.00 peak 994 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 42 and name HN ) 6.00 4.20 0.00 peak 1008 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HN ) ( resid 42 and name HG1# ) 4.09 2.29 0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 69 and name HN ) 2.93 1.13 0.00 peak 1023 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HB1 ) ( resid 69 and name HN ) 3.52 1.72 0.00 peak 1026 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HG1 ) ( resid 69 and name HN ) 6.00 4.20 0.00 peak 1027 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HD1# ) ( resid 69 and name HN ) 6.00 4.20 0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 69 and name HN ) 6.00 4.20 0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HN ) ( resid 69 and name HN ) 5.15 3.35 0.00 peak 1029 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 69 and name HN ) ( resid 70 and name HA ) 5.04 3.24 0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HA ) ( resid 11 and name HN ) 4.27 2.47 0.00 peak 1037 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HD# ) ( resid 64 and name HN ) 4.23 2.43 0.00 peak 37 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HN ) ( resid 63 and name HD# ) 4.56 2.76 0.00 peak 45 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HZ ) ( resid 37 and name HG2# ) 4.31 2.51 0.00 peak 54 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HN ) ( resid 34 and name HD# ) 4.87 3.07 0.00 peak 59 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HD# ) ( resid 63 and name HA ) 4.43 2.63 0.00 peak 61 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HA ) ( resid 34 and name HD# ) 4.44 2.64 0.00 peak 62 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HD# ) ( resid 59 and name HD1# ) 6.00 4.20 0.00 peak 64 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 9 and name HD# ) ( resid 10 and name HE# ) 4.69 2.89 0.00 peak 68 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HA ) ( resid 9 and name HD# ) 5.06 3.26 0.00 peak 72 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD2# ) ( resid 9 and name HD# ) 5.59 3.79 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 9 and name HD# ) 5.00 3.20 0.00 peak 74 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 9 and name HD# ) ( resid 10 and name HZ ) 6.00 4.20 0.00 peak 75 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HD# ) ( resid 34 and name HN ) 4.36 2.56 0.00 peak 77 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HG ) ( resid 33 and name HD# ) 6.00 4.20 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HD# ) ( resid 62 and name HB# ) 6.00 4.20 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HE# ) ( resid 10 and name HD# ) 3.15 1.35 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 10 and name HD# ) ! ( resid 59 and name HA ) ! 3.44 1.64 0.00 peak 95 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 9 and name HE# ) ( resid 10 and name HD# ) 5.15 3.35 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HD# ) ( resid 33 and name HE# ) 5.32 3.52 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HD# ) ( resid 37 and name HB ) 6.00 4.20 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HD# ) ( resid 59 and name HB2 ) 6.00 4.20 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 9 and name HE# ) 5.26 3.46 0.00 peak 168 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 9 and name HE# ) ( resid 10 and name HE# ) 4.70 2.90 0.00 peak 169 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HA ) ( resid 9 and name HE# ) 4.82 3.02 0.00 peak 173 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 9 and name HE# ) ! ( resid 10 and name HZ ) ! 4.37 2.57 0.00 peak 174 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HE# ) ( resid 59 and name HG ) 4.78 2.98 0.00 peak 180 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HG ) ( resid 33 and name HE# ) 4.77 2.97 0.00 peak 183 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HE# ) ( resid 34 and name HN ) 5.84 4.04 0.00 peak 188 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HN ) ( resid 63 and name HE# ) 6.00 4.20 0.00 peak 202 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HE# ) ( resid 63 and name HD# ) 2.93 1.13 0.00 peak 204 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HE# ) ( resid 67 and name HG1 ) 3.95 2.15 0.00 peak 210 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 60 and name HN ) 5.40 3.60 0.00 peak 214 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 34 and name HD# ) 3.07 1.27 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HA ) ( resid 34 and name HE# ) 5.41 3.61 0.00 peak 217 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 2 and name HB# ) ( resid 3 and name HN ) 4.45 2.65 0.00 peak 206 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 3 and name HA ) ( resid 4 and name HB# ) 4.47 2.67 0.00 peak 282 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 3 and name HG# ) ( resid 4 and name HN ) 5.84 3.98 0.00 peak 429 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 3 and name HG# ) ( resid 4 and name HD# ) 5.79 3.99 0.00 peak 825 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 4 and name HB# ) 3.57 1.77 0.00 peak 47 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HN ) ( resid 4 and name HD# ) 4.50 2.70 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HA ) ( resid 4 and name HD# ) 3.68 1.88 0.00 peak 824 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HB# ) ( resid 4 and name HD# ) 2.80 1.00 0.00 peak 1185 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD# ) ( resid 9 and name HE# ) 4.06 2.26 0.00 peak 822 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD# ) ( resid 9 and name HD# ) 4.37 2.57 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 4 and name HD# ) ( resid 10 and name HE# ) 4.15 2.35 0.00 peak 820 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 6 and name HN ) ! ( resid 9 and name HB# ) ! 3.65 1.85 0.00 peak 861 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HN ) ( resid 7 and name HG# ) 4.20 2.40 0.00 peak 829 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG# ) ( resid 10 and name HN ) 5.69 3.89 0.00 peak 1005 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG# ) ( resid 61 and name HN ) 5.92 4.12 0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG# ) ( resid 61 and name HG# ) 3.63 1.83 0.00 peak 977 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 7 and name HG# ) ( resid 62 and name HN ) 5.92 4.12 0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HB# ) ( resid 9 and name HN ) 4.11 2.31 0.00 peak 555 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HB# ) ( resid 11 and name HN ) 5.50 3.70 0.00 peak 163 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 8 and name HB# ) ( resid 11 and name HG2# ) 5.14 3.34 0.00 peak 1113 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HB# ) ( resid 37 and name HG# ) 5.18 3.38 0.00 peak 860 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HB# ) ( resid 59 and name HD# ) 4.40 2.60 0.00 peak 993 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HB# ) ( resid 62 and name HN ) 5.81 4.01 0.00 peak 252 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HB# ) ( resid 62 and name HB# ) 4.94 3.14 0.00 peak 954 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HE# ) ( resid 37 and name HG# ) 3.51 1.71 0.00 peak 904 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HE# ) ( resid 59 and name HD# ) 3.82 2.02 0.00 peak 89 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HD# ) ( resid 37 and name HG# ) 3.82 2.02 0.00 peak 96 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 10 and name HZ ) ( resid 37 and name HG# ) 3.15 1.35 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 11 and name HG1# ) 4.15 2.35 0.00 peak 158 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HN ) ( resid 61 and name HG# ) 5.81 4.01 0.00 peak 163 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HB ) ( resid 61 and name HG# ) 5.81 4.01 0.00 peak 410 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 12 and name HG# ) 4.76 2.96 0.00 peak 453 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG2# ) ( resid 14 and name HD# ) 3.52 1.72 0.00 peak 1238 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG1# ) ( resid 13 and name HN ) 5.81 4.01 0.00 peak 985 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG1# ) ( resid 61 and name HG# ) 4.17 2.37 0.00 peak 983 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG1# ) ( resid 62 and name HN ) 3.89 2.09 0.00 peak 980 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HG1# ) ( resid 62 and name HA ) 3.48 1.68 0.00 peak 304 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 14 and name HD# ) 4.10 2.30 0.00 peak 1239 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 61 and name HB# ) 4.40 2.60 0.00 peak 1128 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 11 and name HD1# ) ( resid 61 and name HG# ) 4.07 2.27 0.00 peak 1129 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HN ) ( resid 12 and name HB# ) 3.32 1.52 0.00 peak 649 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HN ) ( resid 12 and name HG# ) 3.70 1.90 0.00 peak 454 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HN ) ( resid 13 and name HB# ) 5.03 3.23 0.00 peak 613 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HN ) ( resid 14 and name HD# ) 4.62 2.82 0.00 peak 646 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HA ) ( resid 12 and name HG# ) 3.35 1.55 0.00 peak 170 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 12 and name HG# ) ( resid 13 and name HN ) 5.81 4.01 0.00 peak 432 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 13 and name HN ) ( resid 14 and name HD# ) 5.38 3.58 0.00 peak 746 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 13 and name HB# ) ( resid 15 and name HN ) 5.81 4.01 0.00 peak 725 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 13 and name HB# ) ( resid 33 and name HE# ) 4.45 2.65 0.00 peak 182 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 14 and name HB# ) 3.54 1.74 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 14 and name HD# ) 3.38 1.58 0.00 peak 108 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HN ) ( resid 33 and name HB# ) 5.81 4.01 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HA ) ( resid 33 and name HB# ) 5.69 3.89 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HB# ) ( resid 18 and name HG2# ) 3.94 2.14 0.00 peak 1094 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HB# ) ( resid 18 and name HD1# ) 4.85 3.05 0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 15 and name HN ) 3.80 2.00 0.00 peak 730 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 17 and name HN ) 5.92 4.12 0.00 peak 752 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 29 and name HN ) 5.92 4.12 0.00 peak 736 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 29 and name HB# ) 5.92 4.12 0.00 peak 733 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 30 and name HN ) 5.92 4.12 0.00 peak 603 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 30 and name HA ) 4.69 2.89 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 33 and name HN ) 5.92 4.12 0.00 peak 192 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 33 and name HB# ) 5.07 3.27 0.00 peak 1212 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 33 and name HE# ) 3.89 2.09 0.00 peak 686 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 33 and name HD# ) 3.78 1.98 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 34 and name HN ) 5.87 4.07 0.00 peak 403 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 59 and name HD# ) 4.52 2.72 0.00 peak 996 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 61 and name HG# ) 5.73 3.93 0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 14 and name HD# ) ! ( resid 62 and name HN ) ! 5.22 3.42 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 62 and name HA ) 3.88 2.08 0.00 peak 300 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 62 and name HB# ) 2.93 1.13 0.00 peak 959 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 63 and name HN ) 5.44 3.64 0.00 peak 504 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 63 and name HA ) 4.16 2.36 0.00 peak 737 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 66 and name HN ) 5.92 4.12 0.00 peak 740 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 14 and name HD# ) ( resid 66 and name HB ) 3.94 2.14 0.00 peak 538 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HN ) ( resid 15 and name HB# ) 3.39 1.59 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 15 and name HB# ) ( resid 16 and name HN ) 3.15 1.35 0.00 peak 652 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HA ) ( resid 16 and name HG# ) 3.17 1.37 0.00 peak 164 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG# ) ( resid 17 and name HA ) 4.44 2.64 0.00 peak 498 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG# ) ( resid 18 and name HN ) 5.81 4.01 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG# ) ( resid 20 and name HN ) 4.50 2.70 0.00 peak 809 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG# ) ( resid 21 and name HN ) 4.45 2.65 0.00 peak 483 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 16 and name HG# ) ( resid 22 and name HN ) 4.06 2.26 0.00 peak 523 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 16 and name HG# ) ! ( resid 22 and name HB# ) ! 2.66 0.86 0.00 peak 1198 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HA ) ( resid 20 and name HG# ) 5.81 4.01 0.00 peak 103 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HB# ) ( resid 18 and name HG2# ) 4.06 2.26 0.00 peak 1093 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 17 and name HB# ) ( resid 19 and name HN ) 4.75 2.95 0.00 peak 704 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HA ) ( resid 26 and name HB# ) 4.18 2.38 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HA ) ( resid 26 and name HG# ) 4.77 2.97 0.00 peak 777 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 24 and name HG# ) 5.29 3.49 0.00 peak 452 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HG2# ) ( resid 26 and name HG# ) 3.37 1.57 0.00 peak 1229 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HD1# ) ( resid 26 and name HG# ) 4.13 2.33 0.00 peak 1138 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 18 and name HD1# ) ( resid 70 and name HG# ) 4.94 3.14 0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 19 and name HN ) ( resid 19 and name HG# ) 4.65 2.85 0.00 peak 423 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 19 and name HN ) ( resid 26 and name HG# ) 5.81 4.01 0.00 peak 674 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 19 and name HA ) ( resid 19 and name HG# ) 3.55 1.75 0.00 peak 424 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 20 and name HN ) ! ( resid 20 and name HG# ) ! 3.58 1.78 0.00 peak 805 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 20 and name HN ) ( resid 21 and name HB# ) 5.81 4.01 0.00 peak 398 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 20 and name HA ) ( resid 20 and name HG# ) 3.33 1.53 0.00 peak 243 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 20 and name HB# ) ( resid 21 and name HN ) 3.28 1.48 0.00 peak 482 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 20 and name HB# ) ( resid 22 and name HN ) 4.31 2.51 0.00 peak 525 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HN ) ( resid 21 and name HB# ) 3.28 1.48 0.00 peak 480 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HN ) ( resid 22 and name HB# ) 4.16 2.36 0.00 peak 481 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HA ) ( resid 22 and name HB# ) 5.81 4.01 0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 21 and name HB# ) ( resid 24 and name HN ) 5.81 4.01 0.00 peak 266 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HN ) ( resid 22 and name HB# ) 3.34 1.54 0.00 peak 524 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HN ) ( resid 22 and name HG# ) 4.88 3.08 0.00 peak 458 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HA ) ( resid 22 and name HG# ) 3.32 1.52 0.00 peak 206 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HB# ) ( resid 23 and name HN ) 3.59 1.79 0.00 peak 629 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 22 and name HG# ) ( resid 23 and name HN ) 4.37 2.57 0.00 peak 461 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HN ) ( resid 24 and name HG# ) 4.41 2.61 0.00 peak 422 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HA ) ( resid 24 and name HG# ) 3.57 1.77 0.00 peak 308 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HG# ) ( resid 29 and name HN ) 4.36 2.56 0.00 peak 120 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HG# ) ( resid 29 and name HB# ) 3.65 1.85 0.00 peak 1068 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HG# ) ( resid 32 and name HN ) 5.05 3.25 0.00 peak 767 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 24 and name HG# ) ( resid 33 and name HN ) 4.31 2.51 0.00 peak 191 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 25 and name HA ) ( resid 26 and name HB# ) 5.30 3.50 0.00 peak 316 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 26 and name HB# ) 3.56 1.76 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HN ) ( resid 26 and name HG# ) 4.42 2.62 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HA ) ( resid 26 and name HG# ) 3.65 1.85 0.00 peak 117 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 26 and name HB# ) ! ( resid 27 and name HG2# ) ! 4.26 2.46 0.00 peak 1070 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HB# ) ( resid 27 and name HG1# ) 5.61 3.81 0.00 peak 510 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HB# ) ( resid 29 and name HN ) 5.81 4.01 0.00 peak 129 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HG# ) ( resid 27 and name HN ) 4.41 2.61 0.00 peak 572 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 26 and name HG# ) ( resid 29 and name HN ) 5.81 4.01 0.00 peak 128 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HN ) ( resid 27 and name HG1# ) 5.81 4.01 0.00 peak 660 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HA ) ( resid 66 and name HG# ) 5.34 3.54 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HA ) ( resid 67 and name HD# ) 4.95 3.15 0.00 peak 614 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG2# ) ( resid 27 and name HG1# ) 3.17 1.37 0.00 peak 1083 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG2# ) ( resid 67 and name HD# ) 5.75 3.95 0.00 peak 1072 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HG1# ) ( resid 71 and name HN ) 5.81 4.01 0.00 peak 656 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 67 and name HD# ) 2.68 0.88 0.00 peak 616 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 70 and name HB# ) 5.40 3.60 0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 27 and name HD1# ) ( resid 70 and name HG# ) 5.81 4.01 0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HN ) ( resid 66 and name HG# ) 4.13 2.33 0.00 peak 752 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 29 and name HB# ) ( resid 33 and name HB# ) 4.28 2.48 0.00 peak 1059 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 33 and name HB# ) 4.41 2.61 0.00 peak 586 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HN ) ( resid 67 and name HD# ) 5.77 3.97 0.00 peak 588 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HA ) ( resid 33 and name HB# ) 5.81 4.01 0.00 peak 127 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 30 and name HA ) ( resid 66 and name HG# ) 4.12 2.32 0.00 peak 929 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 31 and name HN ) ( resid 33 and name HB# ) 5.03 3.23 0.00 peak 641 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 32 and name HN ) ( resid 33 and name HB# ) 5.81 4.01 0.00 peak 771 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HN ) ( resid 33 and name HB# ) 3.30 1.50 0.00 peak 188 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HB# ) ( resid 34 and name HN ) 4.05 2.25 0.00 peak 397 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HB# ) ( resid 35 and name HN ) 5.72 3.92 0.00 peak 667 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HE# ) ( resid 37 and name HG# ) 3.92 2.12 0.00 peak 946 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HE# ) ( resid 59 and name HD# ) 3.35 1.55 0.00 peak 187 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HD# ) ( resid 37 and name HG# ) 4.43 2.63 0.00 peak 946 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 33 and name HD# ) ( resid 59 and name HD# ) 4.17 2.37 0.00 peak 84 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HN ) ( resid 38 and name HG# ) 5.63 3.83 0.00 peak 406 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HB# ) ( resid 38 and name HG# ) 5.38 3.58 0.00 peak 761 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 37 and name HG# ) 5.11 3.31 0.00 peak 852 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 38 and name HG# ) 4.34 2.54 0.00 peak 764 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 60 and name HB# ) 5.34 3.54 0.00 peak 219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HE# ) ( resid 63 and name HB# ) 4.23 2.43 0.00 peak 216 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HD# ) ( resid 38 and name HG# ) 5.60 3.80 0.00 peak 769 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HD# ) ( resid 59 and name HD# ) 5.13 3.33 0.00 peak 64 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 34 and name HD# ) ( resid 63 and name HB# ) 4.17 2.37 0.00 peak 66 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 35 and name HN ) ( resid 35 and name HB# ) 3.14 1.34 0.00 peak 743 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 36 and name HN ) ( resid 37 and name HG# ) 4.85 3.05 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HN ) ( resid 37 and name HG# ) 3.40 1.60 0.00 peak 902 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HN ) ( resid 38 and name HG# ) 4.65 2.85 0.00 peak 233 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HN ) ( resid 59 and name HD# ) 4.49 2.69 0.00 peak 990 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HA ) ( resid 37 and name HG# ) 2.77 0.97 0.00 peak 40 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HB ) ( resid 38 and name HG# ) 4.93 3.13 0.00 peak 766 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HB ) ( resid 59 and name HD# ) 4.41 2.61 0.00 peak 995 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 38 and name HN ) 3.19 1.39 0.00 peak 382 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 38 and name HA ) 3.47 1.67 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 40 and name HB ) 5.24 3.44 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 40 and name HG2# ) 4.87 3.07 0.00 peak 972 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 41 and name HN ) 3.85 2.05 0.00 peak 220 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 41 and name HB# ) 3.95 2.15 0.00 peak 893 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 41 and name HD# ) 2.99 1.19 0.00 peak 1217 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 42 and name HN ) 5.25 3.45 0.00 peak 857 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 56 and name HA ) 5.51 3.71 0.00 peak 55 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 59 and name HN ) 5.52 3.72 0.00 peak 132 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 37 and name HG# ) ( resid 59 and name HD# ) 3.18 1.38 0.00 peak 895 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HN ) ( resid 38 and name HG# ) 3.11 1.31 0.00 peak 350 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HN ) ( resid 39 and name HB# ) 5.04 3.24 0.00 peak 346 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HN ) ( resid 41 and name HD# ) 5.18 3.38 0.00 peak 351 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HA ) ( resid 41 and name HD# ) 4.41 2.61 0.00 peak 21 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HA ) ( resid 42 and name HG# ) 5.92 4.12 0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HG# ) ( resid 39 and name HN ) 5.92 4.12 0.00 peak 768 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HG# ) ( resid 59 and name HB2 ) 5.57 3.77 0.00 peak 766 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 38 and name HG# ) ( resid 59 and name HD# ) 3.42 1.62 0.00 peak 767 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HN ) ( resid 39 and name HB# ) 3.32 1.52 0.00 peak 992 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HN ) ( resid 42 and name HG# ) 5.92 4.12 0.00 peak 985 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HA ) ( resid 42 and name HG# ) 5.92 4.12 0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HB# ) ( resid 40 and name HN ) 3.30 1.50 0.00 peak 886 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HB# ) ( resid 40 and name HG2# ) 5.81 4.01 0.00 peak 966 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HB# ) ( resid 41 and name HN ) 5.78 3.98 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 39 and name HB# ) ( resid 42 and name HN ) 5.81 4.01 0.00 peak 1007 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HN ) ( resid 41 and name HB# ) 5.33 3.53 0.00 peak 881 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HN ) ( resid 41 and name HD# ) 5.35 3.55 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HN ) ( resid 42 and name HG# ) 5.56 3.76 0.00 peak 981 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HN ) ( resid 43 and name HB# ) 5.84 4.04 0.00 peak 633 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 40 and name HN ) ! ( resid 43 and name HG# ) ! 5.81 4.01 0.00 peak 479 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HB ) ( resid 41 and name HD# ) 5.92 4.12 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 41 and name HB# ) 4.60 2.80 0.00 peak 915 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 41 and name HD# ) 5.10 3.30 0.00 peak 972 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 43 and name HB# ) 5.81 4.01 0.00 peak 969 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 40 and name HG2# ) ( resid 43 and name HG# ) 5.81 4.01 0.00 peak 968 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HN ) ( resid 41 and name HB# ) 3.06 1.26 0.00 peak 218 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HN ) ( resid 41 and name HD# ) 3.85 2.05 0.00 peak 221 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HA ) ( resid 41 and name HD# ) 3.95 2.15 0.00 peak 906 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HG ) ( resid 59 and name HD# ) 5.92 4.12 0.00 peak 694 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HD# ) ( resid 42 and name HN ) 4.31 2.51 0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HD# ) ( resid 52 and name HA ) 5.92 4.12 0.00 peak 914 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HD# ) ( resid 55 and name HN ) 5.10 3.30 0.00 peak 659 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HD# ) ( resid 55 and name HA ) 4.81 3.01 0.00 peak 907 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 41 and name HD# ) ( resid 56 and name HN ) 5.92 4.12 0.00 peak 913 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HN ) ( resid 42 and name HG# ) 3.52 1.72 0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HN ) ( resid 44 and name HB# ) 5.81 4.01 0.00 peak 1014 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HA ) ( resid 42 and name HG# ) 3.12 1.32 0.00 peak 69 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HA ) ( resid 52 and name HG# ) 4.50 2.70 0.00 peak 937 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HB ) ( resid 52 and name HG# ) 5.92 4.12 0.00 peak 935 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 43 and name HN ) 3.96 2.16 0.00 peak 627 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 43 and name HB# ) 5.73 3.93 0.00 peak 631 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 43 and name HG# ) 5.73 3.93 0.00 peak 476 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 44 and name HN ) 4.47 2.67 0.00 peak 459 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 44 and name HB# ) 5.73 3.93 0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 42 and name HG# ) ! ( resid 45 and name HN ) ! 5.92 4.12 0.00 peak 94 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 52 and name HN ) 5.92 4.12 0.00 peak 1012 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 42 and name HG# ) ! ( resid 52 and name HB ) ! 3.22 1.42 0.00 peak 556 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 56 and name HG1# ) 5.66 3.86 0.00 peak 1025 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 43 and name HN ) ! ( resid 43 and name HG# ) ! 3.40 1.60 0.00 peak 623 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 43 and name HN ) ( resid 44 and name HB# ) 5.33 3.53 0.00 peak 622 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 43 and name HA ) ( resid 43 and name HB# ) 2.44 0.64 0.00 peak 271 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 43 and name HA ) ( resid 43 and name HG# ) 3.55 1.75 0.00 peak 277 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 43 and name HG# ) ! ( resid 44 and name HN ) ! 3.29 1.49 0.00 peak 457 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 44 and name HN ) ( resid 44 and name HB# ) 3.23 1.43 0.00 peak 455 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 44 and name HN ) ! ( resid 45 and name HG# ) ! 5.81 4.01 0.00 peak 472 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 44 and name HB# ) ( resid 46 and name HN ) 5.87 4.07 0.00 peak 327 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HN ) ( resid 45 and name HG# ) 4.73 2.93 0.00 peak 489 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HN ) ( resid 46 and name HB# ) 5.81 4.01 0.00 peak 86 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 45 and name HN ) ! ( resid 51 and name HG# ) ! 5.92 4.12 0.00 peak 94 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HA ) ( resid 45 and name HG# ) 3.71 1.91 0.00 peak 491 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 46 and name HN ) 4.21 2.41 0.00 peak 471 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 46 and name HA ) 4.40 2.60 0.00 peak 491 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 46 and name HB# ) 5.61 3.81 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 46 and name HG ) 5.81 4.01 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 47 and name HN ) 3.73 1.93 0.00 peak 470 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 48 and name HN ) 5.81 4.01 0.00 peak 468 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 51 and name HG# ) 4.15 2.35 0.00 peak 467 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 45 and name HG# ) ( resid 52 and name HN ) 5.84 4.04 0.00 peak 309 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HN ) ( resid 46 and name HB# ) 3.08 1.28 0.00 peak 323 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 46 and name HN ) ! ( resid 51 and name HG# ) ! 4.45 2.65 0.00 peak 329 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HA ) ( resid 46 and name HD# ) 3.78 1.98 0.00 peak 842 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HB# ) ( resid 46 and name HD# ) 2.44 0.64 0.00 peak 884 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HB# ) ( resid 47 and name HA ) 5.81 4.01 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 46 and name HD# ) ( resid 48 and name HN ) 5.47 3.67 0.00 peak 785 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HN ) ( resid 51 and name HG# ) 3.72 1.92 0.00 peak 426 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HA ) ( resid 48 and name HB# ) 5.81 4.01 0.00 peak 79 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HA ) ( resid 51 and name HG# ) 4.87 3.07 0.00 peak 81 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HB ) ( resid 51 and name HG# ) 4.45 2.65 0.00 peak 12 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HB ) ( resid 52 and name HG# ) 5.52 3.72 0.00 peak 879 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 48 and name HB# ) 3.72 1.92 0.00 peak 868 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 47 and name HG2# ) ( resid 51 and name HG# ) 2.41 0.61 0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 48 and name HB# ) 3.41 1.61 0.00 peak 523 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 48 and name HG# ) 4.08 2.28 0.00 peak 70 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 48 and name HN ) ! ( resid 48 and name HE# ) ! 5.81 4.01 0.00 peak 60 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 51 and name HG# ) 4.66 2.86 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HN ) ( resid 52 and name HG# ) 4.73 2.93 0.00 peak 71 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HB# ) ( resid 49 and name HN ) 3.64 1.84 0.00 peak 202 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HB# ) ( resid 50 and name HN ) 3.96 2.16 0.00 peak 434 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HB# ) ( resid 50 and name HB# ) 4.57 2.77 0.00 peak 1042 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HB# ) ( resid 51 and name HG# ) 3.02 1.22 0.00 peak 927 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HG# ) ( resid 48 and name HE# ) 2.38 0.58 0.00 peak 353 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HG# ) ( resid 49 and name HN ) 3.83 2.03 0.00 peak 204 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HG# ) ( resid 50 and name HN ) 4.76 2.96 0.00 peak 722 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HG# ) ( resid 50 and name HA ) 4.54 2.74 0.00 peak 303 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HG# ) ( resid 51 and name HN ) 4.24 2.44 0.00 peak 711 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HG# ) ( resid 51 and name HG# ) 3.37 1.57 0.00 peak 928 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HG# ) ( resid 52 and name HN ) 4.79 2.99 0.00 peak 315 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HE# ) ( resid 49 and name HN ) 5.81 4.01 0.00 peak 199 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HE# ) ( resid 49 and name HA ) 5.81 4.01 0.00 peak 253 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HE# ) ( resid 50 and name HN ) 4.16 2.36 0.00 peak 432 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 48 and name HE# ) ( resid 50 and name HB# ) 4.62 2.82 0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 48 and name HE# ) ! ( resid 51 and name HG# ) ! 4.12 2.32 0.00 peak 354 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HN ) ( resid 49 and name HB# ) 3.53 1.73 0.00 peak 200 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 52 and name HG# ) 5.15 3.35 0.00 peak 869 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 53 and name HB# ) 4.67 2.87 0.00 peak 227 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HB# ) ( resid 50 and name HN ) 3.56 1.76 0.00 peak 433 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HB# ) ( resid 50 and name HB# ) 5.09 3.29 0.00 peak 1041 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HB# ) ( resid 51 and name HN ) 5.81 4.01 0.00 peak 706 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HB# ) ( resid 52 and name HG# ) 4.89 3.09 0.00 peak 404 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HB# ) ( resid 53 and name HN ) 5.81 4.01 0.00 peak 776 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HB# ) ( resid 53 and name HD# ) 4.19 2.39 0.00 peak 798 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HN ) ( resid 51 and name HG# ) 4.91 3.11 0.00 peak 917 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HN ) ( resid 52 and name HG# ) 4.38 2.58 0.00 peak 438 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 50 and name HB# ) ( resid 51 and name HG# ) 3.62 1.82 0.00 peak 1224 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HN ) ( resid 51 and name HG# ) 3.21 1.41 0.00 peak 713 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HN ) ( resid 52 and name HG# ) 4.77 2.97 0.00 peak 878 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HA ) ( resid 51 and name HG# ) 2.78 0.98 0.00 peak 52 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HA ) ( resid 54 and name HB# ) 4.85 3.05 0.00 peak 50 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HB ) ( resid 52 and name HG# ) 4.56 2.76 0.00 peak 871 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HG# ) ( resid 52 and name HN ) 3.46 1.66 0.00 peak 316 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HG# ) ( resid 52 and name HA ) 5.92 4.12 0.00 peak 979 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HG# ) ( resid 54 and name HN ) 5.92 4.12 0.00 peak 981 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HG# ) ( resid 54 and name HG# ) 5.06 3.26 0.00 peak 773 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 51 and name HG# ) ( resid 54 and name HE# ) 5.92 4.12 0.00 peak 989 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 52 and name HG# ) 3.63 1.83 0.00 peak 875 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 53 and name HB# ) 5.14 3.34 0.00 peak 315 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 52 and name HN ) ! ( resid 54 and name HG# ) ! 4.58 2.78 0.00 peak 360 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HN ) ( resid 54 and name HD# ) 5.60 3.80 0.00 peak 310 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HA ) ( resid 52 and name HG# ) 3.02 1.22 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 52 and name HA ) ! ( resid 54 and name HD# ) ! 5.44 3.64 0.00 peak 653 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HG# ) ( resid 53 and name HN ) 3.44 1.64 0.00 peak 785 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HG# ) ( resid 53 and name HA ) 3.63 1.83 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HG# ) ( resid 53 and name HB# ) 3.96 2.16 0.00 peak 898 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HG# ) ( resid 54 and name HN ) 4.78 2.98 0.00 peak 538 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 52 and name HG# ) ! ( resid 54 and name HG# ) ! 5.23 3.43 0.00 peak 839 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HG# ) ( resid 54 and name HD# ) 5.34 3.54 0.00 peak 941 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HG# ) ( resid 55 and name HN ) 4.81 3.01 0.00 peak 698 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HG# ) ( resid 56 and name HB ) 5.92 4.12 0.00 peak 941 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 53 and name HB# ) 3.19 1.39 0.00 peak 784 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 53 and name HD# ) 3.88 2.08 0.00 peak 796 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 54 and name HD# ) 5.39 3.59 0.00 peak 787 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HN ) ( resid 56 and name HG1# ) 4.64 2.84 0.00 peak 783 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HA ) ( resid 53 and name HD# ) 3.45 1.65 0.00 peak 804 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HB# ) ( resid 53 and name HD# ) 2.67 0.87 0.00 peak 807 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 53 and name HB# ) ! ( resid 56 and name HD1# ) ! 5.30 3.50 0.00 peak 1151 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 54 and name HN ) 5.27 3.47 0.00 peak 538 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 56 and name HA ) 5.92 4.12 0.00 peak 55 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 56 and name HB ) 4.14 2.34 0.00 peak 408 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 56 and name HG1# ) 3.97 2.17 0.00 peak 606 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 57 and name HA ) 4.80 3.00 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 57 and name HG# ) 3.70 1.90 0.00 peak 465 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HN ) ( resid 54 and name HG# ) 3.73 1.93 0.00 peak 490 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HN ) ( resid 56 and name HG1# ) 5.81 4.01 0.00 peak 633 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HN ) ( resid 57 and name HG# ) 4.90 3.10 0.00 peak 485 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HA ) ( resid 54 and name HG# ) 3.63 1.83 0.00 peak 191 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HA ) ( resid 57 and name HG# ) 5.81 4.01 0.00 peak 462 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HB# ) ( resid 54 and name HE# ) 4.64 2.84 0.00 peak 557 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HG# ) ( resid 54 and name HE# ) 2.95 1.15 0.00 peak 357 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HG# ) ( resid 55 and name HN ) 5.81 4.01 0.00 peak 779 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 54 and name HD# ) ( resid 54 and name HE# ) 2.05 0.25 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 55 and name HN ) ( resid 57 and name HG# ) 5.31 3.51 0.00 peak 656 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HA ) ( resid 59 and name HD# ) 5.92 4.12 0.00 peak 48 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HG2# ) ( resid 57 and name HG# ) 5.81 4.01 0.00 peak 1047 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HG2# ) ( resid 59 and name HD# ) 4.29 2.49 0.00 peak 1054 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HG1# ) ( resid 57 and name HN ) 4.04 2.24 0.00 peak 416 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HN ) ( resid 59 and name HD# ) 4.16 2.36 0.00 peak 134 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HA ) ( resid 59 and name HD# ) 3.81 2.01 0.00 peak 992 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HB2 ) ( resid 61 and name HG# ) 5.81 4.01 0.00 peak 412 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HD# ) ( resid 60 and name HN ) 4.82 3.02 0.00 peak 318 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 59 and name HD# ) ( resid 62 and name HB# ) 4.09 2.29 0.00 peak 994 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HN ) ( resid 61 and name HB# ) 5.78 3.98 0.00 peak 597 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HN ) ( resid 61 and name HG# ) 5.81 4.01 0.00 peak 1195 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HB# ) ( resid 61 and name HG# ) 5.61 3.81 0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HB# ) ( resid 62 and name HN ) 5.81 4.01 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HB# ) ( resid 63 and name HN ) 5.81 4.01 0.00 peak 501 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HB# ) ( resid 63 and name HE# ) 5.06 3.26 0.00 peak 208 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 60 and name HB# ) ( resid 63 and name HD# ) 5.18 3.38 0.00 peak 42 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HN ) ( resid 61 and name HB# ) 3.41 1.61 0.00 peak 511 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HN ) ( resid 61 and name HG# ) 3.49 1.69 0.00 peak 515 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HA ) ( resid 61 and name HG# ) 3.56 1.76 0.00 peak 142 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HB# ) ( resid 62 and name HN ) 4.03 2.23 0.00 peak 246 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HG# ) ( resid 62 and name HN ) 4.10 2.30 0.00 peak 245 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 61 and name HG# ) ( resid 65 and name HB# ) 5.61 3.81 0.00 peak 410 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 62 and name HN ) ( resid 63 and name HB# ) 5.81 4.01 0.00 peak 253 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 62 and name HN ) ( resid 65 and name HB# ) 5.32 3.52 0.00 peak 248 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 62 and name HA ) ( resid 65 and name HB# ) 5.41 3.61 0.00 peak 302 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HN ) ( resid 64 and name HB# ) 5.81 4.01 0.00 peak 506 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HN ) ( resid 65 and name HB# ) 5.81 4.01 0.00 peak 508 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HB# ) ( resid 64 and name HN ) 3.57 1.77 0.00 peak 688 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 63 and name HE# ) ( resid 67 and name HD# ) 4.83 3.03 0.00 peak 209 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 65 and name HN ) ( resid 66 and name HG# ) 5.61 3.81 0.00 peak 373 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HN ) ( resid 66 and name HG# ) 3.10 1.30 0.00 peak 305 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HA ) ( resid 66 and name HG# ) 2.95 1.15 0.00 peak 933 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HG# ) ( resid 67 and name HN ) 3.71 1.91 0.00 peak 290 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HG# ) ( resid 67 and name HA ) 4.23 2.43 0.00 peak 754 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 66 and name HG# ) ! ( resid 67 and name HD# ) ! 3.40 1.60 0.00 peak 756 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HG# ) ( resid 69 and name HN ) 5.92 4.12 0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 66 and name HG# ) ( resid 70 and name HG# ) 3.12 1.32 0.00 peak 435 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HN ) ( resid 70 and name HB# ) 5.49 3.69 0.00 peak 298 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HN ) ( resid 70 and name HG# ) 5.81 4.01 0.00 peak 298 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HA ) ( resid 67 and name HD# ) 4.81 3.01 0.00 peak 154 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HB2 ) ( resid 68 and name HD# ) 5.81 4.01 0.00 peak 341 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 67 and name HD# ) ( resid 70 and name HN ) 5.81 4.01 0.00 peak 613 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 67 and name HD# ) ! ( resid 70 and name HB# ) ! 4.90 3.10 0.00 peak 619 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 68 and name HG# ) 3.64 1.84 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 68 and name HD# ) 4.99 3.19 0.00 peak 793 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 69 and name HA# ) 4.33 2.53 0.00 peak 791 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HN ) ( resid 70 and name HB# ) 5.81 4.01 0.00 peak 800 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HA ) ( resid 68 and name HG# ) 3.03 1.23 0.00 peak 211 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HA ) ( resid 68 and name HD# ) 5.43 3.63 0.00 peak 337 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HB1 ) ( resid 68 and name HD# ) 3.39 1.59 0.00 peak 340 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HB1 ) ( resid 69 and name HA# ) 4.46 2.66 0.00 peak 581 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 68 and name HG# ) ( resid 69 and name HN ) 4.68 2.88 0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 69 and name HN ) ( resid 69 and name HA# ) 2.58 0.78 0.00 peak 1033 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 69 and name HN ) ( resid 70 and name HB# ) 5.81 4.01 0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 69 and name HN ) ( resid 70 and name HG# ) 4.75 2.95 0.00 peak 427 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 69 and name HA# ) ( resid 70 and name HN ) 3.10 1.30 0.00 peak 367 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 69 and name HA# ) ( resid 70 and name HA ) 5.24 3.44 0.00 peak 1177 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 70 and name HN ) ( resid 70 and name HB# ) 3.05 1.25 0.00 peak 369 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 70 and name HN ) ( resid 70 and name HG# ) 3.81 2.01 0.00 peak 437 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 70 and name HA ) ( resid 70 and name HB# ) 2.60 0.80 0.00 peak 239 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 70 and name HA ) ( resid 70 and name HG# ) 3.08 1.28 0.00 peak 239 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 71 and name HN ) ( resid 71 and name HB# ) 3.06 1.26 0.00 peak 759 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 71 and name HN ) ( resid 72 and name HG# ) 5.81 4.01 0.00 peak 768 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 71 and name HA ) ( resid 72 and name HB# ) 4.87 3.07 0.00 peak 182 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 71 and name HB# ) ( resid 72 and name HN ) 3.89 2.09 0.00 peak 146 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 71 and name HB# ) ( resid 73 and name HN ) 5.61 3.81 0.00 peak 180 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HN ) ( resid 72 and name HB# ) 3.48 1.68 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HN ) ( resid 72 and name HG# ) 4.16 2.36 0.00 peak 150 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HA ) ( resid 72 and name HG# ) 3.61 1.81 0.00 peak 248 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HA ) ( resid 72 and name HD# ) 5.81 4.01 0.00 peak 640 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HB# ) ( resid 73 and name HN ) 3.90 2.10 0.00 peak 182 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 72 and name HB# ) ( resid 73 and name HD# ) 5.73 3.93 0.00 peak 521 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HN ) ( resid 73 and name HB# ) 3.00 1.20 0.00 peak 183 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HN ) ( resid 73 and name HD# ) 4.53 2.73 0.00 peak 858 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HN ) ( resid 74 and name HG# ) 5.81 4.01 0.00 peak 181 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HA ) ( resid 73 and name HD# ) 3.48 1.68 0.00 peak 299 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HA ) ( resid 74 and name HB# ) 5.34 3.54 0.00 peak 582 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HB# ) ( resid 73 and name HD# ) 2.70 0.90 0.00 peak 376 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HB# ) ( resid 74 and name HN ) 4.12 2.32 0.00 peak 272 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HB# ) ( resid 74 and name HG# ) 5.10 3.30 0.00 peak 443 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HD# ) ( resid 74 and name HN ) 4.67 2.87 0.00 peak 849 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HD# ) ( resid 75 and name HN ) 5.80 4.00 0.00 peak 856 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 73 and name HD# ) ( resid 75 and name HB# ) 5.73 3.93 0.00 peak 853 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 74 and name HN ) ( resid 74 and name HB# ) 3.19 1.39 0.00 peak 589 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 74 and name HN ) ( resid 74 and name HG# ) 3.71 1.91 0.00 peak 270 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 74 and name HA ) ( resid 74 and name HG# ) 3.53 1.73 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 74 and name HB# ) ( resid 75 and name HA ) 5.81 4.01 0.00 peak 292 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HA ) ( resid 107 and name HG1# ) 4.09 2.29 0.00 peak 1 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG1# ) ( resid 140 and name HB ) 6.00 4.20 0.00 peak 5 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG2# ) ( resid 140 and name HB ) 6.00 4.20 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HA ) ( resid 140 and name HB ) 6.00 4.20 0.00 peak 7 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HB ) ( resid 141 and name HN ) 6.00 4.20 0.00 peak 10 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HA ) ( resid 152 and name HG1# ) 3.45 1.65 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HA ) ( resid 141 and name HG ) 4.15 2.35 0.00 peak 21 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HA ) ( resid 114 and name HD2# ) 4.20 2.40 0.00 peak 22 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HA ) ( resid 162 and name HB# ) 6.00 4.20 0.00 peak 23 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HA ) ( resid 114 and name HD1# ) 4.20 2.40 0.00 peak 24 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HB ) ( resid 108 and name HA ) 4.84 3.04 0.00 peak 25 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HA ) ( resid 111 and name HB ) 3.59 1.79 0.00 peak 26 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HA ) ( resid 111 and name HG2# ) 4.48 2.68 0.00 peak 28 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HA ) ( resid 111 and name HD1# ) 4.62 2.82 0.00 peak 28 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 130 and name HN ) ! ( resid 166 and name HA ) ! 6.00 4.20 0.00 peak 34 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HA ) ( resid 166 and name HG2# ) 3.43 1.63 0.00 peak 36 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 166 and name HA ) ! ( resid 167 and name HG1 ) ! 6.00 4.20 0.00 peak 38 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HA ) ( resid 137 and name HG1# ) 3.53 1.73 0.00 peak 40 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HA ) ( resid 141 and name HG ) 6.00 4.20 0.00 peak 42 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HA ) ( resid 137 and name HG2# ) 3.53 1.73 0.00 peak 43 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HA ) ( resid 151 and name HG2# ) 3.27 1.47 0.00 peak 52 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HA ) ( resid 151 and name HG1# ) 3.27 1.47 0.00 peak 53 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HA ) ( resid 156 and name HG2# ) 4.05 2.25 0.00 peak 56 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 147 and name HA ) 5.53 3.73 0.00 peak 70 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 146 and name HG ) ! ( resid 147 and name HA ) ! 6.00 4.20 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HA ) ( resid 147 and name HG2# ) 3.59 1.79 0.00 peak 84 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HA ) ( resid 127 and name HD1# ) 3.32 1.52 0.00 peak 89 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HA ) ( resid 119 and name HN ) 6.00 4.20 0.00 peak 102 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HA ) ( resid 120 and name HN ) 6.00 4.20 0.00 peak 102 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HA ) ( resid 125 and name HN ) 6.00 4.20 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HA ) ( resid 118 and name HG1# ) 3.48 1.68 0.00 peak 110 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HN ) ( resid 126 and name HA ) 6.00 4.20 0.00 peak 116 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 165 and name HA ) ( resid 167 and name HN ) 6.00 4.20 0.00 peak 116 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 126 and name HA ) 3.55 1.75 0.00 peak 118 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HD1# ) ( resid 126 and name HA ) 4.87 3.07 0.00 peak 119 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HA ) ( resid 129 and name HB# ) 3.65 1.85 0.00 peak 123 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HB# ) ( resid 130 and name HA ) 6.00 4.20 0.00 peak 124 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HA ) ( resid 166 and name HG2# ) 5.20 3.40 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HN ) ( resid 161 and name HA ) 5.50 3.70 0.00 peak 141 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HA ) ( resid 118 and name HG1# ) 6.00 4.20 0.00 peak 151 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HB ) ( resid 167 and name HA ) 6.00 4.20 0.00 peak 151 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 167 and name HA ) 4.10 2.30 0.00 peak 152 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HA ) ( resid 167 and name HG1 ) 3.44 1.64 0.00 peak 156 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 114 and name HA ) 6.00 4.20 0.00 peak 161 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HA ) ( resid 118 and name HD1# ) 6.00 4.20 0.00 peak 175 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HB ) ( resid 119 and name HA ) 4.76 2.96 0.00 peak 189 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HA ) ( resid 156 and name HD1# ) 4.44 2.64 0.00 peak 213 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HA ) ( resid 173 and name HN ) 3.57 1.77 0.00 peak 219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 158 and name HA ) ( resid 161 and name HN ) 4.14 2.34 0.00 peak 245 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 164 and name HA ) ( resid 167 and name HN ) 3.84 2.04 0.00 peak 251 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HA ) ( resid 150 and name HB# ) 6.00 4.20 0.00 peak 259 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 146 and name HA ) ! ( resid 146 and name HG ) ! 2.58 0.78 0.00 peak 263 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HA ) ( resid 148 and name HN ) 3.66 1.86 0.00 peak 267 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 146 and name HA ) 2.93 1.13 0.00 peak 268 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HA ) ( resid 152 and name HN ) 5.69 3.89 0.00 peak 269 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 140 and name HG2# ) ! ( resid 143 and name HA ) ! 6.00 4.20 0.00 peak 272 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 140 and name HN ) ! ( resid 143 and name HA ) ! 6.00 4.20 0.00 peak 276 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 174 and name HA ) ( resid 174 and name HG1 ) 4.11 2.31 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 174 and name HA ) ( resid 174 and name HG2 ) 4.11 2.31 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 103 and name HA ) ( resid 104 and name HA ) 4.61 2.81 0.00 peak 279 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 103 and name HA ) ! ( resid 104 and name HG ) ! 6.00 4.20 0.00 peak 283 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HA ) ( resid 173 and name HG ) 3.51 1.71 0.00 peak 298 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HA ) ( resid 125 and name HB1 ) 6.00 4.20 0.00 peak 314 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HB2 ) ( resid 130 and name HN ) 5.83 4.03 0.00 peak 347 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HB2 ) ( resid 146 and name HD2# ) 3.28 1.48 0.00 peak 349 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HD1 ) ( resid 154 and name HE# ) 2.36 0.56 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HD2 ) ( resid 154 and name HE# ) 2.36 0.56 0.00 peak 360 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HB1 ) ( resid 173 and name HD1# ) 3.73 1.93 0.00 peak 376 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HB1 ) ( resid 173 and name HD2# ) 3.73 1.93 0.00 peak 376 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HB2 ) ( resid 173 and name HD1# ) 3.73 1.93 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HB2 ) ( resid 173 and name HD2# ) 3.73 1.93 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD1# ) ( resid 156 and name HB ) 5.17 3.37 0.00 peak 408 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG2# ) ( resid 161 and name HG2 ) 6.00 4.20 0.00 peak 415 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 117 and name HN ) ! ( resid 124 and name HG1 ) ! 6.00 4.20 0.00 peak 420 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HN ) ( resid 124 and name HG2 ) 6.00 4.20 0.00 peak 450 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG1 ) ( resid 117 and name HN ) 6.00 4.20 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG1 ) ( resid 121 and name HN ) 5.17 3.37 0.00 peak 493 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG2 ) ( resid 117 and name HN ) 6.00 4.20 0.00 peak 506 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 126 and name HB2 ) 4.06 2.26 0.00 peak 516 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HN ) ( resid 172 and name HB1 ) 4.02 2.22 0.00 peak 518 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HN ) ( resid 166 and name HB ) 4.17 2.37 0.00 peak 535 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 164 and name HN ) ( resid 166 and name HB ) 6.00 4.20 0.00 peak 537 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 167 and name HB1 ) 6.00 4.20 0.00 peak 544 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HB1 ) ( resid 125 and name HN ) 6.00 4.20 0.00 peak 547 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 151 and name HB ) 6.00 4.20 0.00 peak 547 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HN ) ( resid 124 and name HB1 ) 6.00 4.20 0.00 peak 552 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 117 and name HN ) ! ( resid 124 and name HB2 ) ! 5.09 3.29 0.00 peak 554 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HB ) ( resid 153 and name HN ) 4.56 2.76 0.00 peak 555 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 170 and name HB2 ) ( resid 171 and name HN ) 4.13 2.33 0.00 peak 584 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HN ) ( resid 168 and name HB1 ) 6.00 4.20 0.00 peak 586 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HB2 ) ( resid 123 and name HN ) 4.16 2.36 0.00 peak 629 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 137 and name HB ) ! ( resid 141 and name HG ) ! 6.00 4.20 0.00 peak 672 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HG ) ( resid 148 and name HN ) 6.00 4.20 0.00 peak 674 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 146 and name HG ) 5.36 3.56 0.00 peak 677 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HG ) ( resid 174 and name HN ) 4.46 2.66 0.00 peak 681 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HN ) ( resid 173 and name HG ) 4.49 2.69 0.00 peak 682 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 140 and name HN ) ! ( resid 141 and name HG ) ! 6.00 4.20 0.00 peak 692 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 139 and name HN ) ! ( resid 141 and name HG ) ! 6.00 4.20 0.00 peak 695 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 159 and name HD2# ) ! ( resid 163 and name HA ) ! 6.00 4.20 0.00 peak 713 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD1# ) ( resid 162 and name HN ) 6.00 4.20 0.00 peak 736 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HG ) ( resid 160 and name HN ) 6.00 4.20 0.00 peak 740 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 166 and name HG2# ) 3.96 2.16 0.00 peak 751 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 146 and name HD1# ) 4.91 3.11 0.00 peak 757 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 167 and name HG1 ) 4.93 3.13 0.00 peak 773 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HB1 ) ( resid 146 and name HD1# ) 3.28 1.48 0.00 peak 786 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HB2 ) ( resid 146 and name HD1# ) 3.28 1.48 0.00 peak 787 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 153 and name HD1# ) 4.53 2.73 0.00 peak 792 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HA ) ( resid 153 and name HD1# ) 4.21 2.41 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 153 and name HD2# ) 4.53 2.73 0.00 peak 796 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD2# ) ( resid 156 and name HB ) 5.17 3.37 0.00 peak 800 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HA ) ( resid 153 and name HD2# ) 4.21 2.41 0.00 peak 804 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD2# ) ( resid 110 and name HE# ) 4.98 3.18 0.00 peak 809 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD2# ) ( resid 110 and name HD# ) 6.00 4.20 0.00 peak 810 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD2# ) ( resid 109 and name HE# ) 4.75 2.95 0.00 peak 811 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HA ) ( resid 104 and name HD2# ) 4.34 2.54 0.00 peak 812 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 104 and name HD2# ) 6.00 4.20 0.00 peak 817 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD1# ) ( resid 110 and name HE# ) 4.98 3.18 0.00 peak 820 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD1# ) ( resid 110 and name HD# ) 6.00 4.20 0.00 peak 821 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD1# ) ( resid 109 and name HE# ) 4.75 2.95 0.00 peak 822 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD1# ) ( resid 109 and name HD# ) 5.59 3.79 0.00 peak 823 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HA ) ( resid 104 and name HD1# ) 4.34 2.54 0.00 peak 824 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HN ) ( resid 107 and name HG2# ) 4.85 3.05 0.00 peak 829 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 147 and name HG2# ) 6.00 4.20 0.00 peak 830 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 152 and name HN ) 4.99 3.19 0.00 peak 831 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 146 and name HD2# ) 4.91 3.11 0.00 peak 841 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 148 and name HN ) 3.95 2.15 0.00 peak 862 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 151 and name HN ) 6.00 4.20 0.00 peak 864 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HA ) ( resid 107 and name HG2# ) 4.09 2.29 0.00 peak 865 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 147 and name HG2# ) ! ( resid 151 and name HB ) ! 3.06 1.26 0.00 peak 867 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 152 and name HG2# ) 5.13 3.33 0.00 peak 875 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HA ) ( resid 152 and name HG2# ) 3.45 1.65 0.00 peak 880 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HB1 ) ( resid 146 and name HD2# ) 3.28 1.48 0.00 peak 884 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HZ ) ( resid 137 and name HG1# ) 4.31 2.51 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HE# ) ( resid 137 and name HG1# ) 4.11 2.31 0.00 peak 889 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HE# ) ( resid 137 and name HG2# ) 4.11 2.31 0.00 peak 904 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 151 and name HG2# ) 5.55 3.75 0.00 peak 918 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HN ) ( resid 151 and name HG2# ) 4.92 3.12 0.00 peak 920 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HA ) ( resid 166 and name HG1# ) 5.20 3.40 0.00 peak 929 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 166 and name HG1# ) 3.88 2.08 0.00 peak 932 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 166 and name HA ) ! ( resid 166 and name HG1# ) ! 3.43 1.63 0.00 peak 933 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 152 and name HG1# ) 5.13 3.33 0.00 peak 942 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 162 and name HN ) ( resid 162 and name HB# ) 4.09 2.29 0.00 peak 956 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HA ) ( resid 162 and name HB# ) 6.00 4.20 0.00 peak 957 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD1# ) ( resid 162 and name HB# ) 3.91 2.11 0.00 peak 959 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HA ) ( resid 140 and name HG2# ) 3.55 1.75 0.00 peak 965 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HA ) ( resid 140 and name HG2# ) 5.52 3.72 0.00 peak 967 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG1# ) ( resid 161 and name HG1 ) 6.00 4.20 0.00 peak 974 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG1# ) ( resid 161 and name HG2 ) 6.00 4.20 0.00 peak 977 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HN ) ( resid 159 and name HD1# ) 5.39 3.59 0.00 peak 990 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 159 and name HD1# ) ! ( resid 163 and name HA ) ! 6.00 4.20 0.00 peak 991 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG2# ) ( resid 143 and name HN ) 5.19 3.39 0.00 peak 1017 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HN ) ( resid 142 and name HG2# ) 4.09 2.29 0.00 peak 1021 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HB# ) ( resid 151 and name HN ) 4.61 2.81 0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HE2 ) ( resid 150 and name HB# ) 5.27 3.47 0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HE1 ) ( resid 150 and name HB# ) 5.27 3.47 0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HB# ) ( resid 151 and name HB ) 6.00 4.20 0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HN ) ( resid 150 and name HB# ) 3.44 1.64 0.00 peak 1038 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HB# ) ( resid 153 and name HN ) 5.44 3.64 0.00 peak 1040 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 139 and name HN ) ! ( resid 156 and name HG2# ) ! 6.00 4.20 0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 153 and name HN ) ! ( resid 156 and name HG2# ) ! 6.00 4.20 0.00 peak 1045 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HN ) ( resid 156 and name HG2# ) 6.00 4.20 0.00 peak 1046 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HG2# ) ( resid 157 and name HN ) 6.00 4.20 0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HG2# ) ( resid 160 and name HN ) 6.00 4.20 0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HA ) ( resid 156 and name HG2# ) 6.00 4.20 0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HG2# ) ( resid 157 and name HA ) 6.00 4.20 0.00 peak 1051 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 142 and name HB ) ! ( resid 156 and name HG2# ) ! 6.00 4.20 0.00 peak 1053 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HA ) ( resid 156 and name HG2# ) 6.00 4.20 0.00 peak 1055 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HN ) ( resid 129 and name HB# ) 3.80 2.00 0.00 peak 1056 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HB1 ) ( resid 129 and name HB# ) 5.10 3.30 0.00 peak 1060 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HN ) ( resid 129 and name HB# ) 3.86 2.06 0.00 peak 1064 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HA ) ( resid 129 and name HB# ) 4.23 2.43 0.00 peak 1067 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG2# ) ( resid 129 and name HB# ) 5.40 3.60 0.00 peak 1073 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG2# ) ( resid 128 and name HN ) 6.00 4.20 0.00 peak 1078 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 127 and name HG2# ) 6.00 4.20 0.00 peak 1084 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 118 and name HG1# ) 3.35 1.55 0.00 peak 1087 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HN ) ( resid 118 and name HG2# ) 5.06 3.26 0.00 peak 1088 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HN ) ( resid 118 and name HG2# ) 4.43 2.63 0.00 peak 1089 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 119 and name HN ) 4.72 2.92 0.00 peak 1090 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HA ) ( resid 118 and name HG2# ) 5.28 3.48 0.00 peak 1091 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HA ) ( resid 118 and name HG2# ) 3.81 2.01 0.00 peak 1092 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 118 and name HG1# ) 3.19 1.39 0.00 peak 1095 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 129 and name HB# ) 3.62 1.82 0.00 peak 1096 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 114 and name HN ) 6.00 4.20 0.00 peak 1114 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 162 and name HA ) 4.50 2.70 0.00 peak 1116 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HA ) ( resid 111 and name HG2# ) 4.13 2.33 0.00 peak 1117 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 162 and name HB# ) 3.41 1.61 0.00 peak 1120 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 162 and name HA ) 4.49 2.69 0.00 peak 1125 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HA ) ( resid 111 and name HD1# ) 6.00 4.20 0.00 peak 1126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HB ) ( resid 111 and name HD1# ) 2.98 1.18 0.00 peak 1130 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 162 and name HB# ) 3.56 1.76 0.00 peak 1132 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HN ) ( resid 118 and name HD1# ) 4.99 3.19 0.00 peak 1135 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HD1# ) ( resid 119 and name HA ) 6.00 4.20 0.00 peak 1136 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HD1# ) ( resid 129 and name HB# ) 4.55 2.75 0.00 peak 1137 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HA ) ( resid 118 and name HD1# ) 3.94 2.14 0.00 peak 1139 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HA ) ( resid 118 and name HD1# ) 4.49 2.69 0.00 peak 1140 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HN ) ( resid 156 and name HD1# ) 5.19 3.39 0.00 peak 1146 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HA ) ( resid 156 and name HD1# ) 6.00 4.20 0.00 peak 1148 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HB ) ( resid 156 and name HD1# ) 5.86 4.06 0.00 peak 1149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HB ) ( resid 156 and name HD1# ) 3.48 1.68 0.00 peak 1150 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 167 and name HN ) 6.00 4.20 0.00 peak 1153 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 171 and name HN ) 4.98 3.18 0.00 peak 1154 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HN ) ( resid 127 and name HD1# ) 5.00 3.20 0.00 peak 1155 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 163 and name HE# ) 6.00 4.20 0.00 peak 1156 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HB ) ( resid 127 and name HD1# ) 3.28 1.48 0.00 peak 1161 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HA ) ( resid 124 and name HB2 ) 6.00 4.20 0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG2# ) ( resid 161 and name HG1 ) 6.00 4.20 0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HN ) ( resid 141 and name HG ) 6.00 4.20 0.00 peak 1211 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD2# ) ( resid 162 and name HB# ) 3.91 2.11 0.00 peak 1213 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HD# ) ( resid 159 and name HD2# ) 6.00 4.20 0.00 peak 1215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 151 and name HG2# ) 2.79 0.99 0.00 peak 1218 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 151 and name HG1# ) 2.79 0.99 0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG1# ) ( resid 129 and name HB# ) 5.35 3.55 0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HB# ) ( resid 166 and name HB ) 5.61 3.81 0.00 peak 1227 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HA ) ( resid 120 and name HE# ) 4.71 2.91 0.00 peak 1231 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 119 and name HN ) ( resid 120 and name HE# ) 5.85 4.05 0.00 peak 1233 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HN ) ( resid 120 and name HE# ) 6.00 4.20 0.00 peak 1234 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 156 and name HD1# ) ! ( resid 160 and name HN ) ! 6.00 4.20 0.00 peak 1243 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 103 and name HA ) ( resid 104 and name HN ) 3.44 1.64 0.00 peak 45 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 104 and name HG ) 4.88 3.08 0.00 peak 48 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 104 and name HD1# ) 6.00 4.20 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 151 and name HN ) 6.00 4.20 0.00 peak 59 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HN ) ( resid 148 and name HN ) 5.37 3.57 0.00 peak 66 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HA ) ( resid 148 and name HN ) 3.28 1.48 0.00 peak 67 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HB ) ( resid 148 and name HN ) 6.00 4.20 0.00 peak 72 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 151 and name HG1# ) 5.55 3.75 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HB1 ) ( resid 126 and name HN ) 4.39 2.59 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 126 and name HB1 ) 4.06 2.26 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 126 and name HG1 ) 5.14 3.34 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 126 and name HG2 ) 5.14 3.34 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HN ) ( resid 146 and name HG ) 6.00 4.20 0.00 peak 86 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 145 and name HN ) ! ( resid 147 and name HN ) ! 4.83 3.03 0.00 peak 89 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 115 and name HA ) 5.96 4.16 0.00 peak 96 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HN ) ( resid 114 and name HN ) 5.65 3.85 0.00 peak 101 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 116 and name HN ) 5.85 4.05 0.00 peak 101 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 114 and name HG ) 3.83 2.03 0.00 peak 107 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 114 and name HD2# ) 3.96 2.16 0.00 peak 108 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 114 and name HD1# ) 3.96 2.16 0.00 peak 109 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 133 and name HE# ) 6.00 4.20 0.00 peak 110 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HA ) ( resid 129 and name HN ) 4.98 3.18 0.00 peak 112 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 129 and name HN ) ! ( resid 130 and name HE# ) ! 6.00 4.20 0.00 peak 113 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 128 and name HN ) ( resid 129 and name HN ) 4.15 2.35 0.00 peak 115 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HB2 ) ( resid 129 and name HN ) 4.46 2.66 0.00 peak 119 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HN ) ( resid 131 and name HN ) 6.00 4.20 0.00 peak 122 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HN ) ( resid 129 and name HN ) 5.65 3.85 0.00 peak 123 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HB ) ( resid 129 and name HN ) 6.00 4.20 0.00 peak 125 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG2# ) ( resid 129 and name HN ) 6.00 4.20 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HN ) ( resid 159 and name HD1# ) 4.98 3.18 0.00 peak 133 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HN ) ( resid 159 and name HD2# ) 4.98 3.18 0.00 peak 134 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HD1# ) ( resid 159 and name HN ) 6.00 4.20 0.00 peak 139 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HB ) ( resid 159 and name HN ) 6.00 4.20 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 171 and name HA ) ( resid 172 and name HN ) 3.07 1.27 0.00 peak 144 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HN ) ( resid 174 and name HG1 ) 6.00 4.20 0.00 peak 147 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HN ) ( resid 174 and name HG2 ) 6.00 4.20 0.00 peak 147 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HN ) ( resid 172 and name HB2 ) 4.02 2.22 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 162 and name HA ) 5.83 4.03 0.00 peak 154 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 162 and name HB# ) 4.38 2.58 0.00 peak 157 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 111 and name HD1# ) 4.03 2.23 0.00 peak 158 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 113 and name HN ) 6.00 4.20 0.00 peak 161 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 111 and name HB ) 3.37 1.57 0.00 peak 162 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HN ) ( resid 128 and name HN ) 6.00 4.20 0.00 peak 170 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HA ) ( resid 141 and name HN ) 6.00 4.20 0.00 peak 173 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 125 and name HN ) ! ( resid 125 and name HB1 ) ! 3.39 1.59 0.00 peak 175 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HB2 ) ( resid 125 and name HN ) 3.75 1.95 0.00 peak 176 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 172 and name HN ) ! ( resid 173 and name HN ) ! 3.54 1.74 0.00 peak 178 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 132 and name HN ) ( resid 133 and name HN ) 3.91 2.11 0.00 peak 186 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HN ) ( resid 133 and name HD# ) 4.91 3.11 0.00 peak 187 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HN ) ( resid 133 and name HB1 ) 3.88 2.08 0.00 peak 188 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HA ) ( resid 133 and name HN ) 4.44 2.64 0.00 peak 189 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HN ) ( resid 133 and name HB2 ) 3.88 2.08 0.00 peak 190 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HN ) ( resid 150 and name HA ) 5.70 3.90 0.00 peak 194 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 149 and name HN ) 4.56 2.76 0.00 peak 196 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HA ) ( resid 149 and name HN ) 3.11 1.31 0.00 peak 198 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HN ) ( resid 149 and name HB1 ) 4.14 2.34 0.00 peak 200 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HN ) ( resid 149 and name HB2 ) 4.14 2.34 0.00 peak 201 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 111 and name HG2# ) 4.12 2.32 0.00 peak 205 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 102 and name HB1 ) ( resid 103 and name HN ) 5.08 3.28 0.00 peak 206 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 103 and name HN ) ( resid 104 and name HN ) 6.00 4.20 0.00 peak 207 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 102 and name HB2 ) ( resid 103 and name HN ) 5.08 3.28 0.00 peak 209 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HN ) ( resid 141 and name HN ) 3.76 1.96 0.00 peak 212 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 114 and name HA ) ! ( resid 125 and name HN ) ! 6.00 4.20 0.00 peak 216 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 141 and name HN ) 4.55 2.75 0.00 peak 219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HN ) ( resid 142 and name HN ) 3.55 1.75 0.00 peak 222 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HE# ) ( resid 137 and name HN ) 6.00 4.20 0.00 peak 226 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HD# ) ( resid 137 and name HN ) 6.00 4.20 0.00 peak 226 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HN ) ( resid 137 and name HB ) 3.77 1.97 0.00 peak 231 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HN ) ( resid 159 and name HD2# ) 5.39 3.59 0.00 peak 235 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HN ) ( resid 137 and name HN ) 6.00 4.20 0.00 peak 236 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HB# ) ( resid 133 and name HN ) 6.00 4.20 0.00 peak 237 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 114 and name HD2# ) ! ( resid 162 and name HN ) ! 6.00 4.20 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HN ) ( resid 125 and name HN ) 4.41 2.61 0.00 peak 259 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 123 and name HN ) ( resid 124 and name HN ) 3.39 1.59 0.00 peak 260 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HN ) ( resid 124 and name HB2 ) 3.59 1.79 0.00 peak 264 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HA ) ( resid 124 and name HN ) 6.00 4.20 0.00 peak 267 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 174 and name HN ) ! ( resid 175 and name HN ) ! 3.61 1.81 0.00 peak 268 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HA ) ( resid 174 and name HN ) 3.22 1.42 0.00 peak 269 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HN ) ( resid 111 and name HN ) 4.31 2.51 0.00 peak 274 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 109 and name HD# ) ( resid 110 and name HN ) 4.68 2.88 0.00 peak 275 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 109 and name HN ) ( resid 110 and name HN ) 4.24 2.44 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 109 and name HE# ) ! ( resid 110 and name HN ) ! 4.92 3.12 0.00 peak 279 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 165 and name HN ) ( resid 167 and name HN ) 4.71 2.91 0.00 peak 282 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HN ) ( resid 168 and name HN ) 3.61 1.81 0.00 peak 283 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 167 and name HN ) ! ( resid 167 and name HB1 ) ! 2.88 1.08 0.00 peak 288 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HN ) ( resid 167 and name HB2 ) 3.66 1.86 0.00 peak 289 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HA ) ( resid 110 and name HN ) 4.85 3.05 0.00 peak 292 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HN ) ( resid 160 and name HN ) 3.82 2.02 0.00 peak 295 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HD1# ) ( resid 160 and name HN ) 6.00 4.20 0.00 peak 297 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 159 and name HB2 ) ! ( resid 160 and name HN ) ! 3.28 1.48 0.00 peak 302 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HN ) ( resid 167 and name HG1 ) 4.66 2.86 0.00 peak 303 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HN ) ( resid 166 and name HG2# ) 3.70 1.90 0.00 peak 304 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HN ) ( resid 166 and name HG1# ) 3.70 1.90 0.00 peak 305 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 153 and name HA ) 6.00 4.20 0.00 peak 313 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HD2# ) ( resid 160 and name HN ) 6.00 4.20 0.00 peak 318 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 145 and name HN ) ! ( resid 146 and name HN ) ! 3.61 1.81 0.00 peak 324 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 147 and name HB ) 5.29 3.49 0.00 peak 326 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 165 and name HN ) ( resid 166 and name HN ) 3.41 1.61 0.00 peak 334 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HN ) ( resid 125 and name HN ) 6.00 4.20 0.00 peak 342 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HN ) ( resid 141 and name HN ) 6.00 4.20 0.00 peak 342 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HN ) ( resid 138 and name HN ) 3.55 1.75 0.00 peak 343 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HN ) ( resid 139 and name HN ) 3.87 2.07 0.00 peak 343 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HN ) ( resid 140 and name HN ) 5.93 4.13 0.00 peak 344 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HA ) ( resid 118 and name HN ) 4.44 2.64 0.00 peak 345 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG2# ) ( resid 138 and name HN ) 4.63 2.83 0.00 peak 351 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HE# ) ( resid 138 and name HN ) 6.00 4.20 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HD# ) ( resid 138 and name HN ) 6.00 4.20 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 138 and name HN ) 6.00 4.20 0.00 peak 353 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HB ) ( resid 138 and name HN ) 4.58 2.78 0.00 peak 354 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HA ) ( resid 152 and name HN ) 4.98 3.18 0.00 peak 356 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 152 and name HB ) 3.70 1.90 0.00 peak 357 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 169 and name HN ) ( resid 170 and name HN ) 3.33 1.53 0.00 peak 362 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 170 and name HN ) 4.88 3.08 0.00 peak 363 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HA ) ( resid 170 and name HN ) 4.29 2.49 0.00 peak 368 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 170 and name HN ) 5.25 3.45 0.00 peak 373 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HN ) ( resid 140 and name HB ) 6.00 4.20 0.00 peak 374 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HN ) ( resid 129 and name HB# ) 4.93 3.13 0.00 peak 378 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HN ) ( resid 118 and name HG1# ) 3.55 1.75 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG1# ) ( resid 138 and name HN ) 4.63 2.83 0.00 peak 382 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HN ) ( resid 107 and name HB ) 4.07 2.27 0.00 peak 387 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HN ) ( resid 107 and name HG1# ) 4.85 3.05 0.00 peak 389 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HN ) ( resid 110 and name HN ) 6.00 4.20 0.00 peak 390 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HN ) ( resid 136 and name HN ) 6.00 4.20 0.00 peak 396 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HN ) ( resid 134 and name HN ) 3.85 2.05 0.00 peak 398 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HN ) ( resid 135 and name HN ) 4.15 2.35 0.00 peak 398 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 132 and name HN ) ( resid 134 and name HN ) 6.00 4.20 0.00 peak 407 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HN ) ( resid 157 and name HN ) 4.26 2.46 0.00 peak 411 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HA ) ( resid 157 and name HN ) 4.49 2.69 0.00 peak 412 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 155 and name HA ) ( resid 157 and name HN ) 4.84 3.04 0.00 peak 412 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HD1# ) ( resid 157 and name HN ) 4.52 2.72 0.00 peak 414 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HN ) ( resid 151 and name HA ) 6.00 4.20 0.00 peak 417 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HA ) ( resid 134 and name HN ) 3.89 2.09 0.00 peak 418 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 147 and name HN ) 3.23 1.43 0.00 peak 420 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HA ) ( resid 147 and name HN ) 3.55 1.75 0.00 peak 421 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HN ) ( resid 147 and name HB ) 3.74 1.94 0.00 peak 423 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HN ) ( resid 147 and name HG2# ) 4.21 2.41 0.00 peak 425 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HN ) ( resid 151 and name HG1# ) 4.92 3.12 0.00 peak 426 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HN ) ( resid 150 and name HN ) 4.18 2.38 0.00 peak 427 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HN ) ( resid 152 and name HN ) 4.98 3.18 0.00 peak 428 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HN ) ( resid 151 and name HN ) 3.87 2.07 0.00 peak 429 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 150 and name HN ) 6.00 4.20 0.00 peak 442 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 174 and name HA ) ( resid 175 and name HN ) 3.37 1.57 0.00 peak 447 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 147 and name HN ) ! ( resid 151 and name HA ) ! 6.00 4.20 0.00 peak 451 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 144 and name HN ) ( resid 145 and name HN ) 4.68 2.88 0.00 peak 453 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 144 and name HN ) 6.00 4.20 0.00 peak 458 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HN ) ( resid 144 and name HN ) 5.16 3.36 0.00 peak 460 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HA ) ( resid 144 and name HN ) 5.42 3.62 0.00 peak 462 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HB ) ( resid 144 and name HN ) 5.64 3.84 0.00 peak 464 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 125 and name HA ) ! ( resid 128 and name HN ) ! 4.64 2.84 0.00 peak 468 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HB2 ) ( resid 128 and name HN ) 3.71 1.91 0.00 peak 469 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HN ) ( resid 122 and name HN ) 3.90 2.10 0.00 peak 471 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 120 and name HN ) ! ( resid 121 and name HN ) ! 3.26 1.46 0.00 peak 472 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HN ) ( resid 122 and name HA ) 4.48 2.68 0.00 peak 476 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG2 ) ( resid 121 and name HN ) 5.17 3.37 0.00 peak 483 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 154 and name HN ) 3.79 1.99 0.00 peak 486 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HN ) ( resid 155 and name HN ) 4.11 2.31 0.00 peak 486 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 154 and name HN ) 4.42 2.62 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HN ) ( resid 156 and name HN ) 5.09 3.29 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HA ) ( resid 154 and name HN ) 4.33 2.53 0.00 peak 488 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HN ) ( resid 154 and name HN ) 6.00 4.20 0.00 peak 491 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 163 and name HN ) 6.00 4.20 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 162 and name HN ) ( resid 163 and name HN ) 3.73 1.93 0.00 peak 497 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 162 and name HB# ) ( resid 163 and name HN ) 4.21 2.41 0.00 peak 502 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 163 and name HN ) 5.65 3.85 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HG ) ( resid 163 and name HN ) 6.00 4.20 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HN ) ( resid 166 and name HB ) 6.00 4.20 0.00 peak 508 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HD# ) ( resid 163 and name HN ) 5.78 3.98 0.00 peak 509 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HA ) ( resid 163 and name HN ) 6.00 4.20 0.00 peak 510 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HN ) ( resid 164 and name HA ) 6.00 4.20 0.00 peak 510 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HN ) ( resid 162 and name HA ) 6.00 4.20 0.00 peak 514 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HN ) ( resid 124 and name HN ) 4.71 2.91 0.00 peak 517 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HA ) ( resid 122 and name HN ) 3.42 1.62 0.00 peak 519 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HA ) ( resid 122 and name HN ) 6.00 4.20 0.00 peak 521 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HN ) ( resid 157 and name HN ) 5.82 4.02 0.00 peak 535 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HN ) ( resid 161 and name HN ) 6.00 4.20 0.00 peak 540 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 161 and name HN ) 5.89 4.09 0.00 peak 543 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 106 and name HN ) ! ( resid 109 and name HN ) ! 4.07 2.27 0.00 peak 545 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 109 and name HN ) ( resid 109 and name HD# ) 5.30 3.50 0.00 peak 546 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HA ) ( resid 109 and name HN ) 3.73 1.93 0.00 peak 550 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HB ) ( resid 109 and name HN ) 4.79 2.99 0.00 peak 554 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 104 and name HA ) ! ( resid 109 and name HN ) ! 6.00 4.20 0.00 peak 558 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 133 and name HD# ) 6.00 4.20 0.00 peak 560 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 127 and name HN ) 3.81 2.01 0.00 peak 564 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HN ) ( resid 128 and name HN ) 3.96 2.16 0.00 peak 566 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 125 and name HA ) ! ( resid 127 and name HN ) ! 4.86 3.06 0.00 peak 567 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HG1 ) ( resid 127 and name HN ) 5.13 3.33 0.00 peak 572 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HG2 ) ( resid 127 and name HN ) 5.13 3.33 0.00 peak 572 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HN ) ( resid 127 and name HG2# ) 3.91 2.11 0.00 peak 573 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HN ) ( resid 116 and name HN ) 3.39 1.59 0.00 peak 576 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HN ) ( resid 130 and name HN ) 3.64 1.84 0.00 peak 583 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 130 and name HN ) 5.68 3.88 0.00 peak 592 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 128 and name HN ) ( resid 130 and name HN ) 5.61 3.81 0.00 peak 594 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 155 and name HN ) ( resid 158 and name HN ) 5.64 3.84 0.00 peak 595 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 158 and name HN ) ( resid 159 and name HN ) 3.73 1.93 0.00 peak 596 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 166 and name HB ) 4.48 2.68 0.00 peak 600 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 158 and name HN ) ( resid 159 and name HB2 ) 4.80 3.00 0.00 peak 601 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG2# ) ( resid 130 and name HN ) 6.00 4.20 0.00 peak 605 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 127 and name HD1# ) ! ( resid 130 and name HN ) ! 6.00 4.20 0.00 peak 605 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HD1# ) ( resid 158 and name HN ) 6.00 4.20 0.00 peak 606 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HA ) ( resid 112 and name HN ) 4.13 2.33 0.00 peak 610 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HB ) ( resid 112 and name HN ) 3.02 1.22 0.00 peak 612 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HN ) ( resid 143 and name HN ) 5.54 3.74 0.00 peak 616 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HN ) ( resid 143 and name HN ) 3.93 2.13 0.00 peak 617 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 143 and name HN ) ( resid 144 and name HN ) 3.37 1.57 0.00 peak 619 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HA ) ( resid 143 and name HN ) 4.56 2.76 0.00 peak 621 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HB ) ( resid 143 and name HN ) 4.21 2.41 0.00 peak 624 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 143 and name HN ) 6.00 4.20 0.00 peak 626 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG1# ) ( resid 143 and name HN ) 5.19 3.39 0.00 peak 627 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 131 and name HN ) ( resid 133 and name HN ) 6.00 4.20 0.00 peak 629 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 131 and name HN ) ! ( resid 134 and name HD# ) ! 5.68 3.88 0.00 peak 631 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HE# ) ( resid 131 and name HN ) 5.73 3.93 0.00 peak 636 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HB# ) ( resid 131 and name HN ) 6.00 4.20 0.00 peak 637 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 131 and name HN ) 4.01 2.21 0.00 peak 638 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG2# ) ( resid 131 and name HN ) 5.86 4.06 0.00 peak 643 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HN ) ( resid 112 and name HN ) 5.63 3.83 0.00 peak 647 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 155 and name HN ) ( resid 157 and name HN ) 6.00 4.20 0.00 peak 653 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 155 and name HN ) ( resid 156 and name HN ) 3.65 1.85 0.00 peak 654 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 135 and name HN ) ( resid 136 and name HN ) 4.08 2.28 0.00 peak 660 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HN ) ( resid 119 and name HN ) 3.54 1.74 0.00 peak 664 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HA ) ( resid 156 and name HN ) 4.51 2.71 0.00 peak 675 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HA ) ( resid 156 and name HN ) 5.38 3.58 0.00 peak 677 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HN ) ( resid 164 and name HN ) 4.25 2.45 0.00 peak 682 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 164 and name HN ) ( resid 168 and name HN ) 6.00 4.20 0.00 peak 683 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HE# ) ( resid 164 and name HN ) 4.38 2.58 0.00 peak 685 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 164 and name HN ) 6.00 4.20 0.00 peak 690 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 112 and name HN ) 4.10 2.30 0.00 peak 692 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 112 and name HN ) 3.79 1.99 0.00 peak 693 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HA ) ( resid 155 and name HN ) 4.36 2.56 0.00 peak 696 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 113 and name HN ) ( resid 133 and name HE# ) 5.63 3.83 0.00 peak 702 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HN ) ( resid 152 and name HN ) 4.13 2.33 0.00 peak 707 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HA ) ( resid 151 and name HN ) 5.24 3.44 0.00 peak 708 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HN ) ( resid 151 and name HG2# ) 3.87 2.07 0.00 peak 713 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HN ) ( resid 151 and name HG1# ) 3.87 2.07 0.00 peak 714 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HN ) ( resid 153 and name HN ) 5.25 3.45 0.00 peak 716 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HN ) ( resid 118 and name HD1# ) 4.40 2.60 0.00 peak 720 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 115 and name HN ) 4.24 2.44 0.00 peak 721 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 114 and name HG ) ! ( resid 115 and name HN ) ! 3.33 1.53 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HA ) ( resid 115 and name HN ) 5.52 3.72 0.00 peak 729 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HN ) ( resid 119 and name HN ) 4.01 2.21 0.00 peak 732 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 113 and name HN ) 6.00 4.20 0.00 peak 733 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 113 and name HN ) ( resid 114 and name HN ) 4.08 2.28 0.00 peak 736 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HN ) ( resid 113 and name HN ) 3.37 1.57 0.00 peak 737 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 113 and name HN ) ( resid 115 and name HN ) 5.01 3.21 0.00 peak 747 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 170 and name HB1 ) ( resid 171 and name HN ) 4.13 2.33 0.00 peak 760 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 132 and name HN ) 4.48 2.68 0.00 peak 764 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 131 and name HN ) ( resid 132 and name HN ) 4.39 2.59 0.00 peak 769 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 168 and name HN ) 6.00 4.20 0.00 peak 775 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 153 and name HN ) 4.08 2.28 0.00 peak 777 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HA ) ( resid 153 and name HN ) 5.24 3.44 0.00 peak 780 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 156 and name HB ) 6.00 4.20 0.00 peak 787 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 164 and name HA ) ( resid 168 and name HN ) 4.04 2.24 0.00 peak 790 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 168 and name HN ) ! ( resid 168 and name HB1 ) ! 3.02 1.22 0.00 peak 794 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 167 and name HB1 ) ! ( resid 168 and name HN ) ! 3.24 1.44 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HB2 ) ( resid 168 and name HN ) 4.15 2.35 0.00 peak 796 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HG1 ) ( resid 168 and name HN ) 4.52 2.72 0.00 peak 797 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HA ) ( resid 168 and name HN ) 6.00 4.20 0.00 peak 798 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 170 and name HG1 ) 6.00 4.20 0.00 peak 800 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 170 and name HG2 ) 6.00 4.20 0.00 peak 801 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HN ) ( resid 120 and name HN ) 6.00 4.20 0.00 peak 803 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HN ) ( resid 120 and name HN ) 5.93 4.13 0.00 peak 806 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 120 and name HN ) ( resid 121 and name HA ) 6.00 4.20 0.00 peak 811 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 106 and name HN ) ( resid 107 and name HN ) 6.00 4.20 0.00 peak 840 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 123 and name HN ) ! ( resid 125 and name HN ) ! 4.56 2.76 0.00 peak 845 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HA ) ( resid 123 and name HN ) 4.54 2.74 0.00 peak 847 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HA ) ( resid 123 and name HN ) 3.55 1.75 0.00 peak 849 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HB1 ) ( resid 123 and name HN ) 4.16 2.36 0.00 peak 852 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 123 and name HN ) ( resid 124 and name HB2 ) 4.22 2.42 0.00 peak 853 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 123 and name HN ) ( resid 124 and name HA ) 5.60 3.80 0.00 peak 854 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HA ) ( resid 106 and name HN ) 6.00 4.20 0.00 peak 857 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 106 and name HN ) 6.00 4.20 0.00 peak 859 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HN ) ( resid 142 and name HN ) 5.53 3.73 0.00 peak 875 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HN ) ( resid 140 and name HG2# ) 3.99 2.19 0.00 peak 877 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 136 and name HN ) ( resid 138 and name HN ) 5.92 4.12 0.00 peak 894 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 136 and name HN ) ( resid 137 and name HN ) 3.70 1.90 0.00 peak 895 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HN ) ( resid 140 and name HN ) 3.98 2.18 0.00 peak 895 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HN ) ( resid 140 and name HB ) 6.00 4.20 0.00 peak 986 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HN ) ( resid 141 and name HN ) 6.00 4.20 0.00 peak 988 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HN ) ( resid 142 and name HB ) 5.60 3.80 0.00 peak 994 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 142 and name HN ) 6.00 4.20 0.00 peak 1008 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HN ) ( resid 142 and name HG1# ) 4.09 2.29 0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 169 and name HN ) 2.93 1.13 0.00 peak 1023 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HB1 ) ( resid 169 and name HN ) 3.52 1.72 0.00 peak 1026 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HG1 ) ( resid 169 and name HN ) 6.00 4.20 0.00 peak 1027 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HD1# ) ( resid 169 and name HN ) 6.00 4.20 0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 169 and name HN ) 6.00 4.20 0.00 peak 1028 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HN ) ( resid 169 and name HN ) 5.15 3.35 0.00 peak 1029 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 169 and name HN ) ( resid 170 and name HA ) 5.04 3.24 0.00 peak 1032 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HA ) ( resid 111 and name HN ) 4.27 2.47 0.00 peak 1037 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HD# ) ( resid 164 and name HN ) 4.23 2.43 0.00 peak 37 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HN ) ( resid 163 and name HD# ) 4.56 2.76 0.00 peak 45 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HZ ) ( resid 137 and name HG2# ) 4.31 2.51 0.00 peak 54 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HN ) ( resid 134 and name HD# ) 4.87 3.07 0.00 peak 59 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HD# ) ( resid 163 and name HA ) 4.43 2.63 0.00 peak 61 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HA ) ( resid 134 and name HD# ) 4.44 2.64 0.00 peak 62 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HD# ) ( resid 159 and name HD1# ) 6.00 4.20 0.00 peak 64 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 109 and name HD# ) ( resid 110 and name HE# ) 4.69 2.89 0.00 peak 68 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HA ) ( resid 109 and name HD# ) 5.06 3.26 0.00 peak 72 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD2# ) ( resid 109 and name HD# ) 5.59 3.79 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 109 and name HD# ) 5.00 3.20 0.00 peak 74 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 109 and name HD# ) ( resid 110 and name HZ ) 6.00 4.20 0.00 peak 75 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HD# ) ( resid 134 and name HN ) 4.36 2.56 0.00 peak 77 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HG ) ( resid 133 and name HD# ) 6.00 4.20 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HD# ) ( resid 162 and name HB# ) 6.00 4.20 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HE# ) ( resid 110 and name HD# ) 3.15 1.35 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 110 and name HD# ) ! ( resid 159 and name HA ) ! 3.44 1.64 0.00 peak 95 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 109 and name HE# ) ( resid 110 and name HD# ) 5.15 3.35 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HD# ) ( resid 133 and name HE# ) 5.32 3.52 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HD# ) ( resid 137 and name HB ) 6.00 4.20 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HD# ) ( resid 159 and name HB2 ) 6.00 4.20 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 109 and name HE# ) 5.26 3.46 0.00 peak 168 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 109 and name HE# ) ( resid 110 and name HE# ) 4.70 2.90 0.00 peak 169 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HA ) ( resid 109 and name HE# ) 4.82 3.02 0.00 peak 173 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 109 and name HE# ) ! ( resid 110 and name HZ ) ! 4.37 2.57 0.00 peak 174 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HE# ) ( resid 159 and name HG ) 4.78 2.98 0.00 peak 180 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HG ) ( resid 133 and name HE# ) 4.77 2.97 0.00 peak 183 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HE# ) ( resid 134 and name HN ) 5.84 4.04 0.00 peak 188 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HN ) ( resid 163 and name HE# ) 6.00 4.20 0.00 peak 202 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HE# ) ( resid 163 and name HD# ) 2.93 1.13 0.00 peak 204 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HE# ) ( resid 167 and name HG1 ) 3.95 2.15 0.00 peak 210 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 160 and name HN ) 5.40 3.60 0.00 peak 214 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 134 and name HD# ) 3.07 1.27 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HA ) ( resid 134 and name HE# ) 5.41 3.61 0.00 peak 217 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 102 and name HB# ) ( resid 103 and name HN ) 4.45 2.65 0.00 peak 206 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 103 and name HA ) ( resid 104 and name HB# ) 4.47 2.67 0.00 peak 282 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 103 and name HG# ) ( resid 104 and name HN ) 5.84 3.98 0.00 peak 429 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 103 and name HG# ) ( resid 104 and name HD# ) 5.79 3.99 0.00 peak 825 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 104 and name HB# ) 3.57 1.77 0.00 peak 47 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HN ) ( resid 104 and name HD# ) 4.50 2.70 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HA ) ( resid 104 and name HD# ) 3.68 1.88 0.00 peak 824 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HB# ) ( resid 104 and name HD# ) 2.80 1.00 0.00 peak 1185 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD# ) ( resid 109 and name HE# ) 4.06 2.26 0.00 peak 822 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD# ) ( resid 109 and name HD# ) 4.37 2.57 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 104 and name HD# ) ( resid 110 and name HE# ) 4.15 2.35 0.00 peak 820 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 106 and name HN ) ! ( resid 109 and name HB# ) ! 3.65 1.85 0.00 peak 861 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HN ) ( resid 107 and name HG# ) 4.20 2.40 0.00 peak 829 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG# ) ( resid 110 and name HN ) 5.69 3.89 0.00 peak 1005 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG# ) ( resid 161 and name HN ) 5.92 4.12 0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG# ) ( resid 161 and name HG# ) 3.63 1.83 0.00 peak 977 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 107 and name HG# ) ( resid 162 and name HN ) 5.92 4.12 0.00 peak 1006 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HB# ) ( resid 109 and name HN ) 4.11 2.31 0.00 peak 555 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HB# ) ( resid 111 and name HN ) 5.50 3.70 0.00 peak 163 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 108 and name HB# ) ( resid 111 and name HG2# ) 5.14 3.34 0.00 peak 1113 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HB# ) ( resid 137 and name HG# ) 5.18 3.38 0.00 peak 860 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HB# ) ( resid 159 and name HD# ) 4.40 2.60 0.00 peak 993 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HB# ) ( resid 162 and name HN ) 5.81 4.01 0.00 peak 252 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HB# ) ( resid 162 and name HB# ) 4.94 3.14 0.00 peak 954 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HE# ) ( resid 137 and name HG# ) 3.51 1.71 0.00 peak 904 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HE# ) ( resid 159 and name HD# ) 3.82 2.02 0.00 peak 89 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HD# ) ( resid 137 and name HG# ) 3.82 2.02 0.00 peak 96 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 110 and name HZ ) ( resid 137 and name HG# ) 3.15 1.35 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 111 and name HG1# ) 4.15 2.35 0.00 peak 158 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HN ) ( resid 161 and name HG# ) 5.81 4.01 0.00 peak 163 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HB ) ( resid 161 and name HG# ) 5.81 4.01 0.00 peak 410 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 112 and name HG# ) 4.76 2.96 0.00 peak 453 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG2# ) ( resid 114 and name HD# ) 3.52 1.72 0.00 peak 1238 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG1# ) ( resid 113 and name HN ) 5.81 4.01 0.00 peak 985 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG1# ) ( resid 161 and name HG# ) 4.17 2.37 0.00 peak 983 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG1# ) ( resid 162 and name HN ) 3.89 2.09 0.00 peak 980 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HG1# ) ( resid 162 and name HA ) 3.48 1.68 0.00 peak 304 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 114 and name HD# ) 4.10 2.30 0.00 peak 1239 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 161 and name HB# ) 4.40 2.60 0.00 peak 1128 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 111 and name HD1# ) ( resid 161 and name HG# ) 4.07 2.27 0.00 peak 1129 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HN ) ( resid 112 and name HB# ) 3.32 1.52 0.00 peak 649 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HN ) ( resid 112 and name HG# ) 3.70 1.90 0.00 peak 454 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HN ) ( resid 113 and name HB# ) 5.03 3.23 0.00 peak 613 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HN ) ( resid 114 and name HD# ) 4.62 2.82 0.00 peak 646 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HA ) ( resid 112 and name HG# ) 3.35 1.55 0.00 peak 170 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 112 and name HG# ) ( resid 113 and name HN ) 5.81 4.01 0.00 peak 432 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 113 and name HN ) ( resid 114 and name HD# ) 5.38 3.58 0.00 peak 746 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 113 and name HB# ) ( resid 115 and name HN ) 5.81 4.01 0.00 peak 725 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 113 and name HB# ) ( resid 133 and name HE# ) 4.45 2.65 0.00 peak 182 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 114 and name HB# ) 3.54 1.74 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 114 and name HD# ) 3.38 1.58 0.00 peak 108 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HN ) ( resid 133 and name HB# ) 5.81 4.01 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HA ) ( resid 133 and name HB# ) 5.69 3.89 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HB# ) ( resid 118 and name HG2# ) 3.94 2.14 0.00 peak 1094 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HB# ) ( resid 118 and name HD1# ) 4.85 3.05 0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 115 and name HN ) 3.80 2.00 0.00 peak 730 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 117 and name HN ) 5.92 4.12 0.00 peak 752 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 129 and name HN ) 5.92 4.12 0.00 peak 736 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 129 and name HB# ) 5.92 4.12 0.00 peak 733 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 130 and name HN ) 5.92 4.12 0.00 peak 603 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 130 and name HA ) 4.69 2.89 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 133 and name HN ) 5.92 4.12 0.00 peak 192 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 133 and name HB# ) 5.07 3.27 0.00 peak 1212 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 133 and name HE# ) 3.89 2.09 0.00 peak 686 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 133 and name HD# ) 3.78 1.98 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 134 and name HN ) 5.87 4.07 0.00 peak 403 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 159 and name HD# ) 4.52 2.72 0.00 peak 996 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 161 and name HG# ) 5.73 3.93 0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 114 and name HD# ) ! ( resid 162 and name HN ) ! 5.22 3.42 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 162 and name HA ) 3.88 2.08 0.00 peak 300 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 162 and name HB# ) 2.93 1.13 0.00 peak 959 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 163 and name HN ) 5.44 3.64 0.00 peak 504 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 163 and name HA ) 4.16 2.36 0.00 peak 737 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 166 and name HN ) 5.92 4.12 0.00 peak 740 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 114 and name HD# ) ( resid 166 and name HB ) 3.94 2.14 0.00 peak 538 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HN ) ( resid 115 and name HB# ) 3.39 1.59 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 115 and name HB# ) ( resid 116 and name HN ) 3.15 1.35 0.00 peak 652 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HA ) ( resid 116 and name HG# ) 3.17 1.37 0.00 peak 164 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG# ) ( resid 117 and name HA ) 4.44 2.64 0.00 peak 498 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG# ) ( resid 118 and name HN ) 5.81 4.01 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG# ) ( resid 120 and name HN ) 4.50 2.70 0.00 peak 809 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG# ) ( resid 121 and name HN ) 4.45 2.65 0.00 peak 483 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 116 and name HG# ) ( resid 122 and name HN ) 4.06 2.26 0.00 peak 523 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 116 and name HG# ) ! ( resid 122 and name HB# ) ! 2.66 0.86 0.00 peak 1198 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HA ) ( resid 120 and name HG# ) 5.81 4.01 0.00 peak 103 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HB# ) ( resid 118 and name HG2# ) 4.06 2.26 0.00 peak 1093 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 117 and name HB# ) ( resid 119 and name HN ) 4.75 2.95 0.00 peak 704 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HA ) ( resid 126 and name HB# ) 4.18 2.38 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HA ) ( resid 126 and name HG# ) 4.77 2.97 0.00 peak 777 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 124 and name HG# ) 5.29 3.49 0.00 peak 452 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HG2# ) ( resid 126 and name HG# ) 3.37 1.57 0.00 peak 1229 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HD1# ) ( resid 126 and name HG# ) 4.13 2.33 0.00 peak 1138 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 118 and name HD1# ) ( resid 170 and name HG# ) 4.94 3.14 0.00 peak 1142 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 119 and name HN ) ( resid 119 and name HG# ) 4.65 2.85 0.00 peak 423 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 119 and name HN ) ( resid 126 and name HG# ) 5.81 4.01 0.00 peak 674 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 119 and name HA ) ( resid 119 and name HG# ) 3.55 1.75 0.00 peak 424 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 120 and name HN ) ! ( resid 120 and name HG# ) ! 3.58 1.78 0.00 peak 805 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 120 and name HN ) ( resid 121 and name HB# ) 5.81 4.01 0.00 peak 398 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 120 and name HA ) ( resid 120 and name HG# ) 3.33 1.53 0.00 peak 243 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 120 and name HB# ) ( resid 121 and name HN ) 3.28 1.48 0.00 peak 482 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 120 and name HB# ) ( resid 122 and name HN ) 4.31 2.51 0.00 peak 525 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HN ) ( resid 121 and name HB# ) 3.28 1.48 0.00 peak 480 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HN ) ( resid 122 and name HB# ) 4.16 2.36 0.00 peak 481 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HA ) ( resid 122 and name HB# ) 5.81 4.01 0.00 peak 1179 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 121 and name HB# ) ( resid 124 and name HN ) 5.81 4.01 0.00 peak 266 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HN ) ( resid 122 and name HB# ) 3.34 1.54 0.00 peak 524 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HN ) ( resid 122 and name HG# ) 4.88 3.08 0.00 peak 458 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HA ) ( resid 122 and name HG# ) 3.32 1.52 0.00 peak 206 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HB# ) ( resid 123 and name HN ) 3.59 1.79 0.00 peak 629 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 122 and name HG# ) ( resid 123 and name HN ) 4.37 2.57 0.00 peak 461 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HN ) ( resid 124 and name HG# ) 4.41 2.61 0.00 peak 422 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HA ) ( resid 124 and name HG# ) 3.57 1.77 0.00 peak 308 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HG# ) ( resid 129 and name HN ) 4.36 2.56 0.00 peak 120 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HG# ) ( resid 129 and name HB# ) 3.65 1.85 0.00 peak 1068 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HG# ) ( resid 132 and name HN ) 5.05 3.25 0.00 peak 767 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 124 and name HG# ) ( resid 133 and name HN ) 4.31 2.51 0.00 peak 191 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 125 and name HA ) ( resid 126 and name HB# ) 5.30 3.50 0.00 peak 316 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 126 and name HB# ) 3.56 1.76 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HN ) ( resid 126 and name HG# ) 4.42 2.62 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HA ) ( resid 126 and name HG# ) 3.65 1.85 0.00 peak 117 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 126 and name HB# ) ! ( resid 127 and name HG2# ) ! 4.26 2.46 0.00 peak 1070 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HB# ) ( resid 127 and name HG1# ) 5.61 3.81 0.00 peak 510 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HB# ) ( resid 129 and name HN ) 5.81 4.01 0.00 peak 129 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HG# ) ( resid 127 and name HN ) 4.41 2.61 0.00 peak 572 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 126 and name HG# ) ( resid 129 and name HN ) 5.81 4.01 0.00 peak 128 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HN ) ( resid 127 and name HG1# ) 5.81 4.01 0.00 peak 660 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HA ) ( resid 166 and name HG# ) 5.34 3.54 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HA ) ( resid 167 and name HD# ) 4.95 3.15 0.00 peak 614 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG2# ) ( resid 127 and name HG1# ) 3.17 1.37 0.00 peak 1083 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG2# ) ( resid 167 and name HD# ) 5.75 3.95 0.00 peak 1072 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HG1# ) ( resid 171 and name HN ) 5.81 4.01 0.00 peak 656 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 167 and name HD# ) 2.68 0.88 0.00 peak 616 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 170 and name HB# ) 5.40 3.60 0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 127 and name HD1# ) ( resid 170 and name HG# ) 5.81 4.01 0.00 peak 1160 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HN ) ( resid 166 and name HG# ) 4.13 2.33 0.00 peak 752 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 129 and name HB# ) ( resid 133 and name HB# ) 4.28 2.48 0.00 peak 1059 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 133 and name HB# ) 4.41 2.61 0.00 peak 586 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HN ) ( resid 167 and name HD# ) 5.77 3.97 0.00 peak 588 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HA ) ( resid 133 and name HB# ) 5.81 4.01 0.00 peak 127 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 130 and name HA ) ( resid 166 and name HG# ) 4.12 2.32 0.00 peak 929 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 131 and name HN ) ( resid 133 and name HB# ) 5.03 3.23 0.00 peak 641 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 132 and name HN ) ( resid 133 and name HB# ) 5.81 4.01 0.00 peak 771 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HN ) ( resid 133 and name HB# ) 3.30 1.50 0.00 peak 188 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HB# ) ( resid 134 and name HN ) 4.05 2.25 0.00 peak 397 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HB# ) ( resid 135 and name HN ) 5.72 3.92 0.00 peak 667 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HE# ) ( resid 137 and name HG# ) 3.92 2.12 0.00 peak 946 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HE# ) ( resid 159 and name HD# ) 3.35 1.55 0.00 peak 187 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HD# ) ( resid 137 and name HG# ) 4.43 2.63 0.00 peak 946 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 133 and name HD# ) ( resid 159 and name HD# ) 4.17 2.37 0.00 peak 84 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HN ) ( resid 138 and name HG# ) 5.63 3.83 0.00 peak 406 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HB# ) ( resid 138 and name HG# ) 5.38 3.58 0.00 peak 761 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 137 and name HG# ) 5.11 3.31 0.00 peak 852 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 138 and name HG# ) 4.34 2.54 0.00 peak 764 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 160 and name HB# ) 5.34 3.54 0.00 peak 219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HE# ) ( resid 163 and name HB# ) 4.23 2.43 0.00 peak 216 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HD# ) ( resid 138 and name HG# ) 5.60 3.80 0.00 peak 769 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HD# ) ( resid 159 and name HD# ) 5.13 3.33 0.00 peak 64 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 134 and name HD# ) ( resid 163 and name HB# ) 4.17 2.37 0.00 peak 66 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 135 and name HN ) ( resid 135 and name HB# ) 3.14 1.34 0.00 peak 743 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 136 and name HN ) ( resid 137 and name HG# ) 4.85 3.05 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HN ) ( resid 137 and name HG# ) 3.40 1.60 0.00 peak 902 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HN ) ( resid 138 and name HG# ) 4.65 2.85 0.00 peak 233 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HN ) ( resid 159 and name HD# ) 4.49 2.69 0.00 peak 990 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HA ) ( resid 137 and name HG# ) 2.77 0.97 0.00 peak 40 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HB ) ( resid 138 and name HG# ) 4.93 3.13 0.00 peak 766 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HB ) ( resid 159 and name HD# ) 4.41 2.61 0.00 peak 995 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 138 and name HN ) 3.19 1.39 0.00 peak 382 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 138 and name HA ) 3.47 1.67 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 140 and name HB ) 5.24 3.44 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 140 and name HG2# ) 4.87 3.07 0.00 peak 972 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 141 and name HN ) 3.85 2.05 0.00 peak 220 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 141 and name HB# ) 3.95 2.15 0.00 peak 893 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 141 and name HD# ) 2.99 1.19 0.00 peak 1217 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 142 and name HN ) 5.25 3.45 0.00 peak 857 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 156 and name HA ) 5.51 3.71 0.00 peak 55 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 159 and name HN ) 5.52 3.72 0.00 peak 132 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 137 and name HG# ) ( resid 159 and name HD# ) 3.18 1.38 0.00 peak 895 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HN ) ( resid 138 and name HG# ) 3.11 1.31 0.00 peak 350 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HN ) ( resid 139 and name HB# ) 5.04 3.24 0.00 peak 346 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HN ) ( resid 141 and name HD# ) 5.18 3.38 0.00 peak 351 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HA ) ( resid 141 and name HD# ) 4.41 2.61 0.00 peak 21 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HA ) ( resid 142 and name HG# ) 5.92 4.12 0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HG# ) ( resid 139 and name HN ) 5.92 4.12 0.00 peak 768 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HG# ) ( resid 159 and name HB2 ) 5.57 3.77 0.00 peak 766 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 138 and name HG# ) ( resid 159 and name HD# ) 3.42 1.62 0.00 peak 767 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HN ) ( resid 139 and name HB# ) 3.32 1.52 0.00 peak 992 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HN ) ( resid 142 and name HG# ) 5.92 4.12 0.00 peak 985 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HA ) ( resid 142 and name HG# ) 5.92 4.12 0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HB# ) ( resid 140 and name HN ) 3.30 1.50 0.00 peak 886 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HB# ) ( resid 140 and name HG2# ) 5.81 4.01 0.00 peak 966 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HB# ) ( resid 141 and name HN ) 5.78 3.98 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 139 and name HB# ) ( resid 142 and name HN ) 5.81 4.01 0.00 peak 1007 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HN ) ( resid 141 and name HB# ) 5.33 3.53 0.00 peak 881 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HN ) ( resid 141 and name HD# ) 5.35 3.55 0.00 peak 888 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HN ) ( resid 142 and name HG# ) 5.56 3.76 0.00 peak 981 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HN ) ( resid 143 and name HB# ) 5.84 4.04 0.00 peak 633 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 140 and name HN ) ! ( resid 143 and name HG# ) ! 5.81 4.01 0.00 peak 479 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HB ) ( resid 141 and name HD# ) 5.92 4.12 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 141 and name HB# ) 4.60 2.80 0.00 peak 915 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 141 and name HD# ) 5.10 3.30 0.00 peak 972 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 143 and name HB# ) 5.81 4.01 0.00 peak 969 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 140 and name HG2# ) ( resid 143 and name HG# ) 5.81 4.01 0.00 peak 968 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HN ) ( resid 141 and name HB# ) 3.06 1.26 0.00 peak 218 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HN ) ( resid 141 and name HD# ) 3.85 2.05 0.00 peak 221 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HA ) ( resid 141 and name HD# ) 3.95 2.15 0.00 peak 906 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HG ) ( resid 159 and name HD# ) 5.92 4.12 0.00 peak 694 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HD# ) ( resid 142 and name HN ) 4.31 2.51 0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HD# ) ( resid 152 and name HA ) 5.92 4.12 0.00 peak 914 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HD# ) ( resid 155 and name HN ) 5.10 3.30 0.00 peak 659 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HD# ) ( resid 155 and name HA ) 4.81 3.01 0.00 peak 907 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 141 and name HD# ) ( resid 156 and name HN ) 5.92 4.12 0.00 peak 913 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HN ) ( resid 142 and name HG# ) 3.52 1.72 0.00 peak 1018 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HN ) ( resid 144 and name HB# ) 5.81 4.01 0.00 peak 1014 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HA ) ( resid 142 and name HG# ) 3.12 1.32 0.00 peak 69 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HA ) ( resid 152 and name HG# ) 4.50 2.70 0.00 peak 937 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HB ) ( resid 152 and name HG# ) 5.92 4.12 0.00 peak 935 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG# ) ( resid 143 and name HN ) 3.96 2.16 0.00 peak 627 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG# ) ( resid 143 and name HB# ) 5.73 3.93 0.00 peak 631 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG# ) ( resid 143 and name HG# ) 5.73 3.93 0.00 peak 476 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG# ) ( resid 144 and name HN ) 4.47 2.67 0.00 peak 459 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG# ) ( resid 144 and name HB# ) 5.73 3.93 0.00 peak 1019 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 142 and name HG# ) ! ( resid 145 and name HN ) ! 5.92 4.12 0.00 peak 94 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG# ) ( resid 152 and name HN ) 5.92 4.12 0.00 peak 1012 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 142 and name HG# ) ! ( resid 152 and name HB ) ! 3.22 1.42 0.00 peak 556 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 142 and name HG# ) ( resid 156 and name HG1# ) 5.66 3.86 0.00 peak 1025 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 143 and name HN ) ! ( resid 143 and name HG# ) ! 3.40 1.60 0.00 peak 623 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 143 and name HN ) ( resid 144 and name HB# ) 5.33 3.53 0.00 peak 622 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 143 and name HA ) ( resid 143 and name HB# ) 2.44 0.64 0.00 peak 271 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 143 and name HA ) ( resid 143 and name HG# ) 3.55 1.75 0.00 peak 277 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 143 and name HG# ) ! ( resid 144 and name HN ) ! 3.29 1.49 0.00 peak 457 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 144 and name HN ) ( resid 144 and name HB# ) 3.23 1.43 0.00 peak 455 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 144 and name HN ) ! ( resid 145 and name HG# ) ! 5.81 4.01 0.00 peak 472 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 144 and name HB# ) ( resid 146 and name HN ) 5.87 4.07 0.00 peak 327 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HN ) ( resid 145 and name HG# ) 4.73 2.93 0.00 peak 489 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HN ) ( resid 146 and name HB# ) 5.81 4.01 0.00 peak 86 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 145 and name HN ) ! ( resid 151 and name HG# ) ! 5.92 4.12 0.00 peak 94 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HA ) ( resid 145 and name HG# ) 3.71 1.91 0.00 peak 491 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 146 and name HN ) 4.21 2.41 0.00 peak 471 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 146 and name HA ) 4.40 2.60 0.00 peak 491 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 146 and name HB# ) 5.61 3.81 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 146 and name HG ) 5.81 4.01 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 147 and name HN ) 3.73 1.93 0.00 peak 470 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 148 and name HN ) 5.81 4.01 0.00 peak 468 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 151 and name HG# ) 4.15 2.35 0.00 peak 467 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 145 and name HG# ) ( resid 152 and name HN ) 5.84 4.04 0.00 peak 309 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HN ) ( resid 146 and name HB# ) 3.08 1.28 0.00 peak 323 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 146 and name HN ) ! ( resid 151 and name HG# ) ! 4.45 2.65 0.00 peak 329 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HA ) ( resid 146 and name HD# ) 3.78 1.98 0.00 peak 842 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HB# ) ( resid 146 and name HD# ) 2.44 0.64 0.00 peak 884 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HB# ) ( resid 147 and name HA ) 5.81 4.01 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 146 and name HD# ) ( resid 148 and name HN ) 5.47 3.67 0.00 peak 785 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HN ) ( resid 151 and name HG# ) 3.72 1.92 0.00 peak 426 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HA ) ( resid 148 and name HB# ) 5.81 4.01 0.00 peak 79 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HA ) ( resid 151 and name HG# ) 4.87 3.07 0.00 peak 81 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HB ) ( resid 151 and name HG# ) 4.45 2.65 0.00 peak 12 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HB ) ( resid 152 and name HG# ) 5.52 3.72 0.00 peak 879 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 148 and name HB# ) 3.72 1.92 0.00 peak 868 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 147 and name HG2# ) ( resid 151 and name HG# ) 2.41 0.61 0.00 peak 1219 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 148 and name HB# ) 3.41 1.61 0.00 peak 523 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 148 and name HG# ) 4.08 2.28 0.00 peak 70 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 148 and name HN ) ! ( resid 148 and name HE# ) ! 5.81 4.01 0.00 peak 60 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 151 and name HG# ) 4.66 2.86 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HN ) ( resid 152 and name HG# ) 4.73 2.93 0.00 peak 71 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HB# ) ( resid 149 and name HN ) 3.64 1.84 0.00 peak 202 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HB# ) ( resid 150 and name HN ) 3.96 2.16 0.00 peak 434 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HB# ) ( resid 150 and name HB# ) 4.57 2.77 0.00 peak 1042 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HB# ) ( resid 151 and name HG# ) 3.02 1.22 0.00 peak 927 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HG# ) ( resid 148 and name HE# ) 2.38 0.58 0.00 peak 353 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HG# ) ( resid 149 and name HN ) 3.83 2.03 0.00 peak 204 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HG# ) ( resid 150 and name HN ) 4.76 2.96 0.00 peak 722 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HG# ) ( resid 150 and name HA ) 4.54 2.74 0.00 peak 303 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HG# ) ( resid 151 and name HN ) 4.24 2.44 0.00 peak 711 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HG# ) ( resid 151 and name HG# ) 3.37 1.57 0.00 peak 928 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HG# ) ( resid 152 and name HN ) 4.79 2.99 0.00 peak 315 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HE# ) ( resid 149 and name HN ) 5.81 4.01 0.00 peak 199 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HE# ) ( resid 149 and name HA ) 5.81 4.01 0.00 peak 253 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HE# ) ( resid 150 and name HN ) 4.16 2.36 0.00 peak 432 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 148 and name HE# ) ( resid 150 and name HB# ) 4.62 2.82 0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 148 and name HE# ) ! ( resid 151 and name HG# ) ! 4.12 2.32 0.00 peak 354 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HN ) ( resid 149 and name HB# ) 3.53 1.73 0.00 peak 200 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HA ) ( resid 152 and name HG# ) 5.15 3.35 0.00 peak 869 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HA ) ( resid 153 and name HB# ) 4.67 2.87 0.00 peak 227 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HB# ) ( resid 150 and name HN ) 3.56 1.76 0.00 peak 433 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HB# ) ( resid 150 and name HB# ) 5.09 3.29 0.00 peak 1041 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HB# ) ( resid 151 and name HN ) 5.81 4.01 0.00 peak 706 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HB# ) ( resid 152 and name HG# ) 4.89 3.09 0.00 peak 404 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HB# ) ( resid 153 and name HN ) 5.81 4.01 0.00 peak 776 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 149 and name HB# ) ( resid 153 and name HD# ) 4.19 2.39 0.00 peak 798 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HN ) ( resid 151 and name HG# ) 4.91 3.11 0.00 peak 917 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HN ) ( resid 152 and name HG# ) 4.38 2.58 0.00 peak 438 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 150 and name HB# ) ( resid 151 and name HG# ) 3.62 1.82 0.00 peak 1224 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HN ) ( resid 151 and name HG# ) 3.21 1.41 0.00 peak 713 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HN ) ( resid 152 and name HG# ) 4.77 2.97 0.00 peak 878 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HA ) ( resid 151 and name HG# ) 2.78 0.98 0.00 peak 52 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HA ) ( resid 154 and name HB# ) 4.85 3.05 0.00 peak 50 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HB ) ( resid 152 and name HG# ) 4.56 2.76 0.00 peak 871 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HG# ) ( resid 152 and name HN ) 3.46 1.66 0.00 peak 316 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HG# ) ( resid 152 and name HA ) 5.92 4.12 0.00 peak 979 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HG# ) ( resid 154 and name HN ) 5.92 4.12 0.00 peak 981 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HG# ) ( resid 154 and name HG# ) 5.06 3.26 0.00 peak 773 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 151 and name HG# ) ( resid 154 and name HE# ) 5.92 4.12 0.00 peak 989 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 152 and name HG# ) 3.63 1.83 0.00 peak 875 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 153 and name HB# ) 5.14 3.34 0.00 peak 315 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 152 and name HN ) ! ( resid 154 and name HG# ) ! 4.58 2.78 0.00 peak 360 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HN ) ( resid 154 and name HD# ) 5.60 3.80 0.00 peak 310 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HA ) ( resid 152 and name HG# ) 3.02 1.22 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 152 and name HA ) ! ( resid 154 and name HD# ) ! 5.44 3.64 0.00 peak 653 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HG# ) ( resid 153 and name HN ) 3.44 1.64 0.00 peak 785 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HG# ) ( resid 153 and name HA ) 3.63 1.83 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HG# ) ( resid 153 and name HB# ) 3.96 2.16 0.00 peak 898 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HG# ) ( resid 154 and name HN ) 4.78 2.98 0.00 peak 538 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 152 and name HG# ) ! ( resid 154 and name HG# ) ! 5.23 3.43 0.00 peak 839 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HG# ) ( resid 154 and name HD# ) 5.34 3.54 0.00 peak 941 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HG# ) ( resid 155 and name HN ) 4.81 3.01 0.00 peak 698 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 152 and name HG# ) ( resid 156 and name HB ) 5.92 4.12 0.00 peak 941 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 153 and name HB# ) 3.19 1.39 0.00 peak 784 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 153 and name HD# ) 3.88 2.08 0.00 peak 796 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 154 and name HD# ) 5.39 3.59 0.00 peak 787 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HN ) ( resid 156 and name HG1# ) 4.64 2.84 0.00 peak 783 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HA ) ( resid 153 and name HD# ) 3.45 1.65 0.00 peak 804 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HB# ) ( resid 153 and name HD# ) 2.67 0.87 0.00 peak 807 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 153 and name HB# ) ! ( resid 156 and name HD1# ) ! 5.30 3.50 0.00 peak 1151 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD# ) ( resid 154 and name HN ) 5.27 3.47 0.00 peak 538 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD# ) ( resid 156 and name HA ) 5.92 4.12 0.00 peak 55 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD# ) ( resid 156 and name HB ) 4.14 2.34 0.00 peak 408 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD# ) ( resid 156 and name HG1# ) 3.97 2.17 0.00 peak 606 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD# ) ( resid 157 and name HA ) 4.80 3.00 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 153 and name HD# ) ( resid 157 and name HG# ) 3.70 1.90 0.00 peak 465 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HN ) ( resid 154 and name HG# ) 3.73 1.93 0.00 peak 490 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HN ) ( resid 156 and name HG1# ) 5.81 4.01 0.00 peak 633 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HN ) ( resid 157 and name HG# ) 4.90 3.10 0.00 peak 485 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HA ) ( resid 154 and name HG# ) 3.63 1.83 0.00 peak 191 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HA ) ( resid 157 and name HG# ) 5.81 4.01 0.00 peak 462 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HB# ) ( resid 154 and name HE# ) 4.64 2.84 0.00 peak 557 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HG# ) ( resid 154 and name HE# ) 2.95 1.15 0.00 peak 357 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HG# ) ( resid 155 and name HN ) 5.81 4.01 0.00 peak 779 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 154 and name HD# ) ( resid 154 and name HE# ) 2.05 0.25 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 155 and name HN ) ( resid 157 and name HG# ) 5.31 3.51 0.00 peak 656 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HA ) ( resid 159 and name HD# ) 5.92 4.12 0.00 peak 48 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HG2# ) ( resid 157 and name HG# ) 5.81 4.01 0.00 peak 1047 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HG2# ) ( resid 159 and name HD# ) 4.29 2.49 0.00 peak 1054 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 156 and name HG1# ) ( resid 157 and name HN ) 4.04 2.24 0.00 peak 416 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HN ) ( resid 159 and name HD# ) 4.16 2.36 0.00 peak 134 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HA ) ( resid 159 and name HD# ) 3.81 2.01 0.00 peak 992 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HB2 ) ( resid 161 and name HG# ) 5.81 4.01 0.00 peak 412 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HD# ) ( resid 160 and name HN ) 4.82 3.02 0.00 peak 318 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 159 and name HD# ) ( resid 162 and name HB# ) 4.09 2.29 0.00 peak 994 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HN ) ( resid 161 and name HB# ) 5.78 3.98 0.00 peak 597 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HN ) ( resid 161 and name HG# ) 5.81 4.01 0.00 peak 1195 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HB# ) ( resid 161 and name HG# ) 5.61 3.81 0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HB# ) ( resid 162 and name HN ) 5.81 4.01 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HB# ) ( resid 163 and name HN ) 5.81 4.01 0.00 peak 501 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HB# ) ( resid 163 and name HE# ) 5.06 3.26 0.00 peak 208 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 160 and name HB# ) ( resid 163 and name HD# ) 5.18 3.38 0.00 peak 42 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HN ) ( resid 161 and name HB# ) 3.41 1.61 0.00 peak 511 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HN ) ( resid 161 and name HG# ) 3.49 1.69 0.00 peak 515 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HA ) ( resid 161 and name HG# ) 3.56 1.76 0.00 peak 142 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HB# ) ( resid 162 and name HN ) 4.03 2.23 0.00 peak 246 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HG# ) ( resid 162 and name HN ) 4.10 2.30 0.00 peak 245 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 161 and name HG# ) ( resid 165 and name HB# ) 5.61 3.81 0.00 peak 410 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 162 and name HN ) ( resid 163 and name HB# ) 5.81 4.01 0.00 peak 253 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 162 and name HN ) ( resid 165 and name HB# ) 5.32 3.52 0.00 peak 248 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 162 and name HA ) ( resid 165 and name HB# ) 5.41 3.61 0.00 peak 302 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HN ) ( resid 164 and name HB# ) 5.81 4.01 0.00 peak 506 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HN ) ( resid 165 and name HB# ) 5.81 4.01 0.00 peak 508 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HB# ) ( resid 164 and name HN ) 3.57 1.77 0.00 peak 688 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 163 and name HE# ) ( resid 167 and name HD# ) 4.83 3.03 0.00 peak 209 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 165 and name HN ) ( resid 166 and name HG# ) 5.61 3.81 0.00 peak 373 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HN ) ( resid 166 and name HG# ) 3.10 1.30 0.00 peak 305 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HA ) ( resid 166 and name HG# ) 2.95 1.15 0.00 peak 933 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HG# ) ( resid 167 and name HN ) 3.71 1.91 0.00 peak 290 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HG# ) ( resid 167 and name HA ) 4.23 2.43 0.00 peak 754 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 166 and name HG# ) ! ( resid 167 and name HD# ) ! 3.40 1.60 0.00 peak 756 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HG# ) ( resid 169 and name HN ) 5.92 4.12 0.00 peak 1036 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 166 and name HG# ) ( resid 170 and name HG# ) 3.12 1.32 0.00 peak 435 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HN ) ( resid 170 and name HB# ) 5.49 3.69 0.00 peak 298 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HN ) ( resid 170 and name HG# ) 5.81 4.01 0.00 peak 298 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HA ) ( resid 167 and name HD# ) 4.81 3.01 0.00 peak 154 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HB2 ) ( resid 168 and name HD# ) 5.81 4.01 0.00 peak 341 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 167 and name HD# ) ( resid 170 and name HN ) 5.81 4.01 0.00 peak 613 volume 0.00 ppm1 0.000 ppm2 0.000 !assign ( resid 167 and name HD# ) ! ( resid 170 and name HB# ) ! 4.90 3.10 0.00 peak 619 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 168 and name HG# ) 3.64 1.84 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 168 and name HD# ) 4.99 3.19 0.00 peak 793 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 169 and name HA# ) 4.33 2.53 0.00 peak 791 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HN ) ( resid 170 and name HB# ) 5.81 4.01 0.00 peak 800 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HA ) ( resid 168 and name HG# ) 3.03 1.23 0.00 peak 211 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HA ) ( resid 168 and name HD# ) 5.43 3.63 0.00 peak 337 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HB1 ) ( resid 168 and name HD# ) 3.39 1.59 0.00 peak 340 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HB1 ) ( resid 169 and name HA# ) 4.46 2.66 0.00 peak 581 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 168 and name HG# ) ( resid 169 and name HN ) 4.68 2.88 0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 169 and name HN ) ( resid 169 and name HA# ) 2.58 0.78 0.00 peak 1033 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 169 and name HN ) ( resid 170 and name HB# ) 5.81 4.01 0.00 peak 1034 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 169 and name HN ) ( resid 170 and name HG# ) 4.75 2.95 0.00 peak 427 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 169 and name HA# ) ( resid 170 and name HN ) 3.10 1.30 0.00 peak 367 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 169 and name HA# ) ( resid 170 and name HA ) 5.24 3.44 0.00 peak 1177 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 170 and name HN ) ( resid 170 and name HB# ) 3.05 1.25 0.00 peak 369 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 170 and name HN ) ( resid 170 and name HG# ) 3.81 2.01 0.00 peak 437 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 170 and name HA ) ( resid 170 and name HB# ) 2.60 0.80 0.00 peak 239 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 170 and name HA ) ( resid 170 and name HG# ) 3.08 1.28 0.00 peak 239 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 171 and name HN ) ( resid 171 and name HB# ) 3.06 1.26 0.00 peak 759 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 171 and name HN ) ( resid 172 and name HG# ) 5.81 4.01 0.00 peak 768 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 171 and name HA ) ( resid 172 and name HB# ) 4.87 3.07 0.00 peak 182 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 171 and name HB# ) ( resid 172 and name HN ) 3.89 2.09 0.00 peak 146 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 171 and name HB# ) ( resid 173 and name HN ) 5.61 3.81 0.00 peak 180 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HN ) ( resid 172 and name HB# ) 3.48 1.68 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HN ) ( resid 172 and name HG# ) 4.16 2.36 0.00 peak 150 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HA ) ( resid 172 and name HG# ) 3.61 1.81 0.00 peak 248 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HA ) ( resid 172 and name HD# ) 5.81 4.01 0.00 peak 640 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HB# ) ( resid 173 and name HN ) 3.90 2.10 0.00 peak 182 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 172 and name HB# ) ( resid 173 and name HD# ) 5.73 3.93 0.00 peak 521 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HN ) ( resid 173 and name HB# ) 3.00 1.20 0.00 peak 183 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HN ) ( resid 173 and name HD# ) 4.53 2.73 0.00 peak 858 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HN ) ( resid 174 and name HG# ) 5.81 4.01 0.00 peak 181 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HA ) ( resid 173 and name HD# ) 3.48 1.68 0.00 peak 299 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HA ) ( resid 174 and name HB# ) 5.34 3.54 0.00 peak 582 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HB# ) ( resid 173 and name HD# ) 2.70 0.90 0.00 peak 376 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HB# ) ( resid 174 and name HN ) 4.12 2.32 0.00 peak 272 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HB# ) ( resid 174 and name HG# ) 5.10 3.30 0.00 peak 443 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HD# ) ( resid 174 and name HN ) 4.67 2.87 0.00 peak 849 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HD# ) ( resid 175 and name HN ) 5.80 4.00 0.00 peak 856 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 173 and name HD# ) ( resid 175 and name HB# ) 5.73 3.93 0.00 peak 853 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 174 and name HN ) ( resid 174 and name HB# ) 3.19 1.39 0.00 peak 589 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 174 and name HN ) ( resid 174 and name HG# ) 3.71 1.91 0.00 peak 270 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 174 and name HA ) ( resid 174 and name HG# ) 3.53 1.73 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 174 and name HB# ) ( resid 175 and name HA ) 5.81 4.01 0.00 peak 292 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 153 and name HD2# ) 5.27 3.47 0.00 peak 2 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 153 and name HD1# ) 5.27 3.47 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD2# ) ( resid 149 and name HA ) 5.27 3.47 0.00 peak 12 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD1# ) ( resid 149 and name HA ) 5.27 3.47 0.00 peak 16 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 156 and name HD1# ) 5.77 3.97 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 157 and name HA ) 4.87 3.07 0.00 peak 17 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 42 and name HG# ) ( resid 157 and name HG# ) 3.67 1.87 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HA ) ( resid 153 and name HD# ) 4.19 2.39 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 49 and name HB# ) ( resid 153 and name HD# ) 4.12 2.32 0.00 peak 4 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 52 and name HB ) ( resid 153 and name HD# ) 5.27 3.47 0.00 peak 3 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 149 and name HA ) 4.19 2.39 0.00 peak 16 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 149 and name HB# ) 4.12 2.32 0.00 peak 14 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 53 and name HD# ) ( resid 152 and name HB ) 5.27 3.47 0.00 peak 13 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 56 and name HD1# ) ( resid 142 and name HG# ) 5.77 3.97 0.00 peak 9 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 57 and name HA ) ( resid 142 and name HG# ) 4.87 3.07 0.00 peak 7 volume 0.00 ppm1 0.000 ppm2 0.000 assign ( resid 57 and name HG# ) ( resid 142 and name HG# ) 3.67 1.87 0.00 peak 8 volume 0.00 ppm1 0.000 ppm2 0.000 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -54.0 18.0 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 -45.0 14.0 2 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) 1.0 -67.0 10.0 2 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) (resid 10 and name N ) 1.0 -40.0 18.0 2 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) 1.0 -65.0 16.0 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1.0 -41.0 10.0 2 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) 1.0 -65.0 10.0 2 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 1.0 -44.0 10.0 2 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) 1.0 -65.0 10.0 2 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 1.0 -39.0 12.0 2 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) 1.0 -63.0 10.0 2 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) (resid 14 and name N ) 1.0 -42.0 10.0 2 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) 1.0 -61.0 12.0 2 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) (resid 15 and name N ) 1.0 -47.0 10.0 2 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) 1.0 -62.0 10.0 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 -42.0 10.0 2 assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) 1.0 -68.0 12.0 2 assign (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) (resid 17 and name N ) 1.0 -42.0 12.0 2 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 -66.0 14.0 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 -39.0 13.0 2 assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) 1.0 -64.0 10.0 2 assign (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 1.0 -44.0 10.0 2 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) 1.0 -62.0 14.0 2 assign (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 1.0 -38.0 13.0 2 !assign (resid 25 and name C ) (resid 26 and name N ) ! (resid 26 and name CA ) (resid 26 and name C ) 1.0 -57.0 12.0 2 !assign (resid 26 and name N ) (resid 26 and name CA ) ! (resid 26 and name C ) (resid 27 and name N ) 1.0 -43.0 18.0 2 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) 1.0 -67.0 16.0 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 -35.0 20.0 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 -72.0 20.0 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 1.0 -31.0 48.0 2 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 -62.0 12.0 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 -43.0 14.0 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -62.0 10.0 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 -43.0 10.0 2 assign (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) 1.0 -67.0 11.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) (resid 32 and name N ) 1.0 -38.0 18.0 2 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) 1.0 -68.0 16.0 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 1.0 -37.0 14.0 2 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) 1.0 -66.0 14.0 2 assign (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 1.0 -41.0 20.0 2 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) 1.0 -61.0 12.0 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 1.0 -43.0 12.0 2 assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) 1.0 -60.0 12.0 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) (resid 36 and name N ) 1.0 -45.0 18.0 2 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -64.0 10.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 -41.0 12.0 2 assign (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) 1.0 -64.0 12.0 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) (resid 38 and name N ) 1.0 -45.0 12.0 2 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) 1.0 -63.0 12.0 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 1.0 -45.0 12.0 2 assign (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) 1.0 -59.0 10.0 2 assign (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) (resid 40 and name N ) 1.0 -39.0 20.0 2 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) 1.0 -67.0 16.0 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 1.0 -41.0 14.0 2 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 -66.0 18.0 2 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 1.0 -39.0 10.0 2 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) 1.0 -77.0 28.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) (resid 43 and name N ) 1.0 -14.0 36.0 2 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 -60.0 10.0 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) (resid 50 and name N ) 1.0 -38.0 26.0 2 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 -64.0 10.0 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 -37.0 13.0 2 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) 1.0 -66.0 14.0 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 1.0 -45.0 11.0 2 assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) 1.0 -65.0 10.0 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 -45.0 10.0 2 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) 1.0 -60.0 10.0 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 1.0 -38.0 20.0 2 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) 1.0 -64.0 10.0 2 assign (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) (resid 55 and name N ) 1.0 -40.0 10.0 2 assign (resid 54 and name C ) (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) 1.0 -64.0 10.0 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 -43.0 10.0 2 assign (resid 55 and name C ) (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) 1.0 -66.0 10.0 2 assign (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) (resid 57 and name N ) 1.0 -41.0 10.0 2 assign (resid 56 and name C ) (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) 1.0 -60.0 10.0 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 1.0 -42.0 16.0 2 assign (resid 57 and name C ) (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) 1.0 -67.0 10.0 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) (resid 59 and name N ) 1.0 -39.0 16.0 2 assign (resid 58 and name C ) (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) 1.0 -64.0 10.0 2 assign (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) (resid 60 and name N ) 1.0 -38.0 14.0 2 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) 1.0 -63.0 10.0 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 1.0 -42.0 12.0 2 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -63.0 10.0 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 -36.0 22.0 2 assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) 1.0 -61.0 10.0 2 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) (resid 63 and name N ) 1.0 -46.0 12.0 2 assign (resid 62 and name C ) (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) 1.0 -62.0 12.0 2 assign (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) (resid 64 and name N ) 1.0 -44.0 12.0 2 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) 1.0 -61.0 10.0 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 1.0 -38.0 16.0 2 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 -65.0 10.0 2 assign (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) (resid 66 and name N ) 1.0 -39.0 12.0 2 assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) 1.0 -64.0 10.0 2 assign (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) (resid 67 and name N ) 1.0 -44.0 16.0 2 assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) 1.0 -61.0 10.0 2 assign (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) (resid 68 and name N ) 1.0 -42.0 14.0 2 assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) 1.0 -82.0 40.0 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) (resid 69 and name N ) 1.0 -20.0 44.0 2 assign (resid 106 and name C ) (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) 1.0 -54.0 18.0 2 assign (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) (resid 108 and name N ) 1.0 -45.0 14.0 2 assign (resid 108 and name C ) (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) 1.0 -67.0 10.0 2 assign (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) (resid 110 and name N ) 1.0 -40.0 18.0 2 assign (resid 109 and name C ) (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) 1.0 -65.0 16.0 2 assign (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) (resid 111 and name N ) 1.0 -41.0 10.0 2 assign (resid 110 and name C ) (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) 1.0 -65.0 10.0 2 assign (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) (resid 112 and name N ) 1.0 -44.0 10.0 2 assign (resid 111 and name C ) (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) 1.0 -65.0 10.0 2 assign (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) (resid 113 and name N ) 1.0 -39.0 12.0 2 assign (resid 112 and name C ) (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) 1.0 -63.0 10.0 2 assign (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) (resid 114 and name N ) 1.0 -42.0 10.0 2 assign (resid 113 and name C ) (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name C ) 1.0 -61.0 12.0 2 assign (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name C ) (resid 115 and name N ) 1.0 -47.0 10.0 2 assign (resid 114 and name C ) (resid 115 and name N ) (resid 115 and name CA ) (resid 115 and name C ) 1.0 -62.0 10.0 2 assign (resid 115 and name N ) (resid 115 and name CA ) (resid 115 and name C ) (resid 116 and name N ) 1.0 -42.0 10.0 2 assign (resid 115 and name C ) (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name C ) 1.0 -68.0 12.0 2 assign (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name C ) (resid 117 and name N ) 1.0 -42.0 12.0 2 assign (resid 116 and name C ) (resid 117 and name N ) (resid 117 and name CA ) (resid 117 and name C ) 1.0 -66.0 14.0 2 assign (resid 117 and name N ) (resid 117 and name CA ) (resid 117 and name C ) (resid 118 and name N ) 1.0 -39.0 13.0 2 assign (resid 117 and name C ) (resid 118 and name N ) (resid 118 and name CA ) (resid 118 and name C ) 1.0 -64.0 10.0 2 assign (resid 118 and name N ) (resid 118 and name CA ) (resid 118 and name C ) (resid 119 and name N ) 1.0 -44.0 10.0 2 assign (resid 118 and name C ) (resid 119 and name N ) (resid 119 and name CA ) (resid 119 and name C ) 1.0 -62.0 14.0 2 assign (resid 119 and name N ) (resid 119 and name CA ) (resid 119 and name C ) (resid 120 and name N ) 1.0 -38.0 13.0 2 !assign (resid 125 and name C ) (resid 126 and name N ) ! (resid 126 and name CA ) (resid 126 and name C ) 1.0 -57.0 12.0 2 !assign (resid 126 and name N ) (resid 126 and name CA ) ! (resid 126 and name C ) (resid 127 and name N ) 1.0 -43.0 18.0 2 assign (resid 126 and name C ) (resid 127 and name N ) (resid 127 and name CA ) (resid 127 and name C ) 1.0 -67.0 16.0 2 assign (resid 127 and name N ) (resid 127 and name CA ) (resid 127 and name C ) (resid 128 and name N ) 1.0 -35.0 20.0 2 assign (resid 127 and name C ) (resid 128 and name N ) (resid 128 and name CA ) (resid 128 and name C ) 1.0 -72.0 20.0 2 assign (resid 128 and name N ) (resid 128 and name CA ) (resid 128 and name C ) (resid 129 and name N ) 1.0 -31.0 48.0 2 assign (resid 128 and name C ) (resid 129 and name N ) (resid 129 and name CA ) (resid 129 and name C ) 1.0 -62.0 12.0 2 assign (resid 129 and name N ) (resid 129 and name CA ) (resid 129 and name C ) (resid 130 and name N ) 1.0 -43.0 14.0 2 assign (resid 129 and name C ) (resid 130 and name N ) (resid 130 and name CA ) (resid 130 and name C ) 1.0 -62.0 10.0 2 assign (resid 130 and name N ) (resid 130 and name CA ) (resid 130 and name C ) (resid 131 and name N ) 1.0 -43.0 10.0 2 assign (resid 130 and name C ) (resid 131 and name N ) (resid 131 and name CA ) (resid 131 and name C ) 1.0 -67.0 11.0 2 assign (resid 131 and name N ) (resid 131 and name CA ) (resid 131 and name C ) (resid 132 and name N ) 1.0 -38.0 18.0 2 assign (resid 131 and name C ) (resid 132 and name N ) (resid 132 and name CA ) (resid 132 and name C ) 1.0 -68.0 16.0 2 assign (resid 132 and name N ) (resid 132 and name CA ) (resid 132 and name C ) (resid 133 and name N ) 1.0 -37.0 14.0 2 assign (resid 132 and name C ) (resid 133 and name N ) (resid 133 and name CA ) (resid 133 and name C ) 1.0 -66.0 14.0 2 assign (resid 133 and name N ) (resid 133 and name CA ) (resid 133 and name C ) (resid 134 and name N ) 1.0 -41.0 20.0 2 assign (resid 133 and name C ) (resid 134 and name N ) (resid 134 and name CA ) (resid 134 and name C ) 1.0 -61.0 12.0 2 assign (resid 134 and name N ) (resid 134 and name CA ) (resid 134 and name C ) (resid 135 and name N ) 1.0 -43.0 12.0 2 assign (resid 134 and name C ) (resid 135 and name N ) (resid 135 and name CA ) (resid 135 and name C ) 1.0 -60.0 12.0 2 assign (resid 135 and name N ) (resid 135 and name CA ) (resid 135 and name C ) (resid 136 and name N ) 1.0 -45.0 18.0 2 assign (resid 135 and name C ) (resid 136 and name N ) (resid 136 and name CA ) (resid 136 and name C ) 1.0 -64.0 10.0 2 assign (resid 136 and name N ) (resid 136 and name CA ) (resid 136 and name C ) (resid 137 and name N ) 1.0 -41.0 12.0 2 assign (resid 136 and name C ) (resid 137 and name N ) (resid 137 and name CA ) (resid 137 and name C ) 1.0 -64.0 12.0 2 assign (resid 137 and name N ) (resid 137 and name CA ) (resid 137 and name C ) (resid 138 and name N ) 1.0 -45.0 12.0 2 assign (resid 137 and name C ) (resid 138 and name N ) (resid 138 and name CA ) (resid 138 and name C ) 1.0 -63.0 12.0 2 assign (resid 138 and name N ) (resid 138 and name CA ) (resid 138 and name C ) (resid 139 and name N ) 1.0 -45.0 12.0 2 assign (resid 138 and name C ) (resid 139 and name N ) (resid 139 and name CA ) (resid 139 and name C ) 1.0 -59.0 10.0 2 assign (resid 139 and name N ) (resid 139 and name CA ) (resid 139 and name C ) (resid 140 and name N ) 1.0 -39.0 20.0 2 assign (resid 139 and name C ) (resid 140 and name N ) (resid 140 and name CA ) (resid 140 and name C ) 1.0 -67.0 16.0 2 assign (resid 140 and name N ) (resid 140 and name CA ) (resid 140 and name C ) (resid 141 and name N ) 1.0 -41.0 14.0 2 assign (resid 140 and name C ) (resid 141 and name N ) (resid 141 and name CA ) (resid 141 and name C ) 1.0 -66.0 18.0 2 assign (resid 141 and name N ) (resid 141 and name CA ) (resid 141 and name C ) (resid 142 and name N ) 1.0 -39.0 10.0 2 assign (resid 141 and name C ) (resid 142 and name N ) (resid 142 and name CA ) (resid 142 and name C ) 1.0 -77.0 28.0 2 assign (resid 142 and name N ) (resid 142 and name CA ) (resid 142 and name C ) (resid 143 and name N ) 1.0 -14.0 36.0 2 assign (resid 148 and name C ) (resid 149 and name N ) (resid 149 and name CA ) (resid 149 and name C ) 1.0 -60.0 10.0 2 assign (resid 149 and name N ) (resid 149 and name CA ) (resid 149 and name C ) (resid 150 and name N ) 1.0 -38.0 26.0 2 assign (resid 149 and name C ) (resid 150 and name N ) (resid 150 and name CA ) (resid 150 and name C ) 1.0 -64.0 10.0 2 assign (resid 150 and name N ) (resid 150 and name CA ) (resid 150 and name C ) (resid 151 and name N ) 1.0 -37.0 13.0 2 assign (resid 150 and name C ) (resid 151 and name N ) (resid 151 and name CA ) (resid 151 and name C ) 1.0 -66.0 14.0 2 assign (resid 151 and name N ) (resid 151 and name CA ) (resid 151 and name C ) (resid 152 and name N ) 1.0 -45.0 11.0 2 assign (resid 151 and name C ) (resid 152 and name N ) (resid 152 and name CA ) (resid 152 and name C ) 1.0 -65.0 10.0 2 assign (resid 152 and name N ) (resid 152 and name CA ) (resid 152 and name C ) (resid 153 and name N ) 1.0 -45.0 10.0 2 assign (resid 152 and name C ) (resid 153 and name N ) (resid 153 and name CA ) (resid 153 and 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( resid 124 and name N ) ! 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name HN ) -5.52000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 157 and name N ) ( resid 157 and name HN ) -3.81000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 158 and name N ) ( resid 158 and name HN ) -1.39000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 159 and name N ) ( resid 159 and name HN ) -7.68000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 161 and name N ) ( resid 161 and name HN ) -0.38000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 162 and name N ) ( resid 162 and name HN ) -6.81000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 163 and name N ) ( resid 163 and name HN ) -6.75000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 165 and name N ) ( resid 165 and name HN ) -0.87000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 170 and name N ) ( resid 170 and name HN ) -4.29000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 172 and name N ) ( resid 172 and name HN ) 1.46000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 173 and name N ) ( resid 173 and name HN ) 0.10000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 174 and name N ) ( resid 174 and name HN ) 0.06000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 175 and name N ) ( resid 175 and name HN ) 1.88000 1.5 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 176 and name N ) ( resid 176 and name HN ) 1.07000 1.5 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -0.816 0.318 -8.882 2 2H MET 1 HT2 MET 1 0.440 0.148 -7.751 3 3H MET 1 HT3 MET 1 0.486 -0.718 -9.212 4 HA MET 1 HA MET 1 2.005 1.116 -9.354 5 1HB MET 1 HB2 MET 1 0.589 0.446 -11.346 6 2HB MET 1 HB1 MET 1 -0.508 1.762 -10.933 7 1HG MET 1 HG2 MET 1 1.004 2.613 -12.595 8 2HG MET 1 HG1 MET 1 1.498 3.326 -11.063 9 1HE MET 1 HE1 MET 1 2.980 2.522 -14.061 10 2HE MET 1 HE2 MET 1 4.632 2.480 -13.452 11 3HE MET 1 HE3 MET 1 3.538 3.756 -12.923 12 H SER 2 HN SER 2 -1.288 2.506 -9.250 13 HA SER 2 HA SER 2 -0.332 5.037 -8.275 14 1HB SER 2 HB2 SER 2 -2.698 5.637 -8.173 15 2HB SER 2 HB1 SER 2 -2.346 4.824 -9.696 16 HG SER 2 HG SER 2 -3.033 3.151 -7.619 17 H GLU 3 HN GLU 3 0.671 4.826 -6.312 18 HA GLU 3 HA GLU 3 -0.979 4.684 -3.993 19 1HB GLU 3 HB2 GLU 3 0.088 2.688 -2.973 20 2HB GLU 3 HB1 GLU 3 -0.874 2.285 -4.395 21 1HG GLU 3 HG2 GLU 3 1.203 2.329 -5.774 22 2HG GLU 3 HG1 GLU 3 2.140 2.628 -4.313 23 H LEU 4 HN LEU 4 0.014 5.564 -2.230 24 HA LEU 4 HA LEU 4 1.570 6.800 -1.071 25 1HB LEU 4 HB2 LEU 4 3.623 5.101 -2.507 26 2HB LEU 4 HB1 LEU 4 3.789 5.897 -0.945 27 HG LEU 4 HG LEU 4 1.866 3.642 -1.593 28 1HD1 LEU 4 HD11 LEU 4 4.182 2.891 -1.486 29 2HD1 LEU 4 HD12 LEU 4 3.317 2.344 -0.049 30 3HD1 LEU 4 HD13 LEU 4 4.411 3.724 0.051 31 1HD2 LEU 4 HD21 LEU 4 0.801 4.924 0.103 32 2HD2 LEU 4 HD22 LEU 4 2.325 5.291 0.911 33 3HD2 LEU 4 HD23 LEU 4 1.649 3.667 0.996 34 H PHE 5 HN PHE 5 1.033 7.131 -4.199 35 HA PHE 5 HA PHE 5 3.276 8.604 -5.148 36 1HB PHE 5 HB2 PHE 5 1.828 9.270 -6.975 37 2HB PHE 5 HB1 PHE 5 1.543 7.568 -6.621 38 HD1 PHE 5 HD2 PHE 5 -0.516 6.841 -5.454 39 HD2 PHE 5 HD1 PHE 5 0.131 10.956 -6.504 40 HE1 PHE 5 HE2 PHE 5 -2.914 7.321 -5.046 41 HE2 PHE 5 HE1 PHE 5 -2.268 11.437 -6.096 42 HZ PHE 5 HZ PHE 5 -3.790 9.619 -5.366 43 H SER 6 HN SER 6 0.358 9.437 -3.380 44 HA SER 6 HA SER 6 0.685 12.280 -3.659 45 1HB SER 6 HB2 SER 6 -0.940 11.037 -1.438 46 2HB SER 6 HB1 SER 6 -1.311 12.433 -2.445 47 HG SER 6 HG SER 6 -2.018 9.902 -2.789 48 H VAL 7 HN VAL 7 1.838 13.644 -2.433 49 HA VAL 7 HA VAL 7 3.732 12.649 -0.552 50 HB VAL 7 HB VAL 7 2.997 15.578 -0.642 51 1HG1 VAL 7 HG11 VAL 7 5.670 14.173 -0.633 52 2HG1 VAL 7 HG12 VAL 7 4.826 14.735 0.810 53 3HG1 VAL 7 HG13 VAL 7 5.372 15.895 -0.401 54 1HG2 VAL 7 HG21 VAL 7 4.460 15.771 -2.700 55 2HG2 VAL 7 HG22 VAL 7 2.887 15.034 -2.986 56 3HG2 VAL 7 HG23 VAL 7 4.327 14.023 -2.876 57 HA PRO 8 HA PRO 8 0.587 14.913 2.552 58 1HB PRO 8 HB2 PRO 8 -1.850 13.677 1.275 59 2HB PRO 8 HB1 PRO 8 -1.694 15.233 2.120 60 1HG PRO 8 HG2 PRO 8 -1.854 15.125 -0.539 61 2HG PRO 8 HG1 PRO 8 -0.783 16.294 0.261 62 1HD PRO 8 HD2 PRO 8 -0.066 13.762 -1.142 63 2HD PRO 8 HD1 PRO 8 0.846 15.257 -1.052 64 H TYR 9 HN TYR 9 0.473 11.768 1.026 65 HA TYR 9 HA TYR 9 -0.717 10.259 3.076 66 1HB TYR 9 HB2 TYR 9 -0.259 9.406 0.783 67 2HB TYR 9 HB1 TYR 9 1.465 9.396 1.155 68 HD1 TYR 9 HD1 TYR 9 -1.824 7.934 2.049 69 HD2 TYR 9 HD2 TYR 9 2.434 7.665 2.552 70 HE1 TYR 9 HE1 TYR 9 -2.091 5.715 3.122 71 HE2 TYR 9 HE2 TYR 9 2.167 5.446 3.625 72 HH TYR 9 HH TYR 9 -0.375 4.349 4.962 73 H PHE 10 HN PHE 10 2.639 11.250 2.542 74 HA PHE 10 HA PHE 10 3.835 9.764 4.615 75 1HB PHE 10 HB2 PHE 10 4.547 12.202 3.026 76 2HB PHE 10 HB1 PHE 10 5.443 11.963 4.523 77 HD1 PHE 10 HD1 PHE 10 4.080 9.394 2.157 78 HD2 PHE 10 HD2 PHE 10 7.593 11.245 3.800 79 HE1 PHE 10 HE1 PHE 10 5.496 7.695 1.044 80 HE2 PHE 10 HE2 PHE 10 9.006 9.542 2.685 81 HZ PHE 10 HZ PHE 10 7.965 7.772 1.312 82 H ILE 11 HN ILE 11 2.338 12.983 4.626 83 HA ILE 11 HA ILE 11 2.989 13.617 7.307 84 HB ILE 11 HB ILE 11 0.612 14.598 5.705 85 1HG1 ILE 11 HG12 ILE 11 3.445 15.668 5.828 86 2HG1 ILE 11 HG11 ILE 11 2.762 14.821 4.456 87 1HG2 ILE 11 HG21 ILE 11 0.622 15.151 8.143 88 2HG2 ILE 11 HG22 ILE 11 0.827 16.578 7.144 89 3HG2 ILE 11 HG23 ILE 11 2.220 15.865 7.951 90 1HD1 ILE 11 HD11 ILE 11 2.581 17.169 3.991 91 2HD1 ILE 11 HD12 ILE 11 1.878 17.484 5.576 92 3HD1 ILE 11 HD13 ILE 11 0.960 16.586 4.367 93 H GLU 12 HN GLU 12 0.139 12.129 5.812 94 HA GLU 12 HA GLU 12 -1.567 11.977 7.992 95 1HB GLU 12 HB2 GLU 12 -1.105 10.016 5.730 96 2HB GLU 12 HB1 GLU 12 -2.421 9.841 6.888 97 1HG GLU 12 HG2 GLU 12 -1.989 12.351 5.245 98 2HG GLU 12 HG1 GLU 12 -3.041 11.036 4.736 99 H ASN 13 HN ASN 13 1.322 10.101 7.329 100 HA ASN 13 HA ASN 13 0.858 8.055 9.268 101 1HB ASN 13 HB2 ASN 13 3.462 9.050 8.089 102 2HB ASN 13 HB1 ASN 13 3.240 7.546 8.978 103 1HD2 ASN 13 HD21 ASN 13 4.086 7.791 6.146 104 2HD2 ASN 13 HD22 ASN 13 2.901 6.991 5.230 105 H LEU 14 HN LEU 14 2.371 11.230 9.340 106 HA LEU 14 HA LEU 14 3.581 11.011 11.902 107 1HB LEU 14 HB2 LEU 14 2.623 13.543 10.543 108 2HB LEU 14 HB1 LEU 14 3.899 13.391 11.752 109 HG LEU 14 HG LEU 14 3.947 12.171 8.976 110 1HD1 LEU 14 HD11 LEU 14 5.595 13.824 8.439 111 2HD1 LEU 14 HD12 LEU 14 5.613 14.434 10.088 112 3HD1 LEU 14 HD13 LEU 14 4.184 14.667 9.076 113 1HD2 LEU 14 HD21 LEU 14 5.266 10.732 10.286 114 2HD2 LEU 14 HD22 LEU 14 5.844 12.035 11.328 115 3HD2 LEU 14 HD23 LEU 14 6.443 11.888 9.685 116 H LYS 15 HN LYS 15 0.424 12.112 10.787 117 HA LYS 15 HA LYS 15 -0.521 13.271 13.126 118 1HB LYS 15 HB2 LYS 15 -1.685 13.338 10.936 119 2HB LYS 15 HB1 LYS 15 -2.116 11.641 11.152 120 1HG LYS 15 HG2 LYS 15 -3.417 12.148 13.126 121 2HG LYS 15 HG1 LYS 15 -2.845 13.815 13.136 122 1HD LYS 15 HD2 LYS 15 -5.097 13.733 12.199 123 2HD LYS 15 HD1 LYS 15 -3.949 14.198 10.948 124 1HE LYS 15 HE2 LYS 15 -4.059 12.070 9.901 125 2HE LYS 15 HE1 LYS 15 -4.763 11.303 11.326 126 1HZ LYS 15 HZ1 LYS 15 -6.134 13.456 9.824 127 2HZ LYS 15 HZ2 LYS 15 -6.797 12.394 10.973 128 3HZ LYS 15 HZ3 LYS 15 -6.329 11.814 9.446 129 H GLN 16 HN GLN 16 -0.328 9.887 12.162 130 HA GLN 16 HA GLN 16 -1.864 8.845 14.332 131 1HB GLN 16 HB2 GLN 16 -1.466 7.581 12.246 132 2HB GLN 16 HB1 GLN 16 0.249 7.480 12.647 133 1HG GLN 16 HG2 GLN 16 -0.227 6.190 14.643 134 2HG GLN 16 HG1 GLN 16 -1.959 6.437 14.442 135 1HE2 GLN 16 HE21 GLN 16 -1.948 3.948 14.459 136 2HE2 GLN 16 HE22 GLN 16 -1.662 3.157 12.984 137 H HIS 17 HN HIS 17 1.556 9.540 13.847 138 HA HIS 17 HA HIS 17 2.564 8.210 16.116 139 1HB HIS 17 HB2 HIS 17 3.579 10.755 14.830 140 2HB HIS 17 HB1 HIS 17 4.497 9.687 15.890 141 HD1 HIS 17 HD1 HIS 17 5.602 10.067 13.099 142 HD2 HIS 17 HD2 HIS 17 2.828 7.092 14.010 143 HE1 HIS 17 HE1 HIS 17 5.843 8.292 11.310 144 HE2 HIS 17 HE2 HIS 17 4.159 6.470 11.853 145 H ILE 18 HN ILE 18 1.585 11.618 15.707 146 HA ILE 18 HA ILE 18 1.943 12.267 18.479 147 HB ILE 18 HB ILE 18 0.839 14.392 17.885 148 1HG1 ILE 18 HG12 ILE 18 0.332 12.976 15.257 149 2HG1 ILE 18 HG11 ILE 18 -0.889 13.587 16.362 150 1HG2 ILE 18 HG21 ILE 18 2.716 13.572 15.645 151 2HG2 ILE 18 HG22 ILE 18 3.262 13.873 17.288 152 3HG2 ILE 18 HG23 ILE 18 2.527 15.170 16.366 153 1HD1 ILE 18 HD11 ILE 18 -0.772 15.230 14.669 154 2HD1 ILE 18 HD12 ILE 18 0.990 15.173 14.625 155 3HD1 ILE 18 HD13 ILE 18 0.168 15.902 16.004 156 H GLU 19 HN GLU 19 -0.869 11.502 16.453 157 HA GLU 19 HA GLU 19 -2.824 11.901 18.480 158 1HB GLU 19 HB2 GLU 19 -3.291 11.789 16.011 159 2HB GLU 19 HB1 GLU 19 -3.009 10.052 16.084 160 1HG GLU 19 HG2 GLU 19 -5.387 10.394 16.250 161 2HG GLU 19 HG1 GLU 19 -4.834 9.931 17.853 162 H MET 20 HN MET 20 -1.320 8.931 17.203 163 HA MET 20 HA MET 20 -2.259 7.446 19.591 164 1HB MET 20 HB2 MET 20 -1.159 6.380 16.974 165 2HB MET 20 HB1 MET 20 -1.852 5.435 18.285 166 1HG MET 20 HG2 MET 20 -3.998 6.669 17.998 167 2HG MET 20 HG1 MET 20 -3.299 7.497 16.607 168 1HE MET 20 HE1 MET 20 -5.560 6.639 15.691 169 2HE MET 20 HE2 MET 20 -5.492 5.310 14.538 170 3HE MET 20 HE3 MET 20 -4.374 6.664 14.378 171 H ASN 21 HN ASN 21 -0.353 5.366 19.286 172 HA ASN 21 HA ASN 21 2.260 6.650 19.790 173 1HB ASN 21 HB2 ASN 21 1.008 6.442 21.969 174 2HB ASN 21 HB1 ASN 21 1.010 4.695 21.738 175 1HD2 ASN 21 HD21 ASN 21 2.567 3.949 23.223 176 2HD2 ASN 21 HD22 ASN 21 4.151 4.549 23.325 177 H GLN 22 HN GLN 22 2.113 5.451 17.543 178 HA GLN 22 HA GLN 22 2.369 2.592 17.599 179 1HB GLN 22 HB2 GLN 22 1.691 4.143 15.653 180 2HB GLN 22 HB1 GLN 22 3.411 4.365 15.391 181 1HG GLN 22 HG2 GLN 22 2.802 2.529 13.977 182 2HG GLN 22 HG1 GLN 22 3.593 1.793 15.366 183 1HE2 GLN 22 HE21 GLN 22 0.258 2.831 14.444 184 2HE2 GLN 22 HE22 GLN 22 -0.502 1.465 15.103 185 H SER 23 HN SER 23 4.079 3.766 19.484 186 HA SER 23 HA SER 23 6.176 3.340 20.308 187 1HB SER 23 HB2 SER 23 7.540 1.725 19.305 188 2HB SER 23 HB1 SER 23 5.976 1.326 18.599 189 HG SER 23 HG SER 23 8.246 2.331 17.435 190 H GLU 24 HN GLU 24 5.623 5.843 19.575 191 HA GLU 24 HA GLU 24 8.205 6.809 18.563 192 1HB GLU 24 HB2 GLU 24 6.278 6.644 16.751 193 2HB GLU 24 HB1 GLU 24 5.692 8.118 17.507 194 1HG GLU 24 HG2 GLU 24 7.154 8.863 15.759 195 2HG GLU 24 HG1 GLU 24 8.082 9.050 17.245 196 H ASP 25 HN ASP 25 6.657 9.489 18.380 197 HA ASP 25 HA ASP 25 6.174 10.079 21.214 198 1HB ASP 25 HB2 ASP 25 8.400 11.363 19.618 199 2HB ASP 25 HB1 ASP 25 7.864 11.889 21.215 200 H LYS 26 HN LYS 26 6.312 12.820 21.056 201 HA LYS 26 HA LYS 26 3.923 13.369 19.482 202 1HB LYS 26 HB2 LYS 26 4.221 14.163 21.831 203 2HB LYS 26 HB1 LYS 26 5.487 15.246 21.273 204 1HG LYS 26 HG2 LYS 26 3.889 16.355 19.759 205 2HG LYS 26 HG1 LYS 26 2.627 15.224 20.247 206 1HD LYS 26 HD2 LYS 26 2.828 16.034 22.585 207 2HD LYS 26 HD1 LYS 26 4.062 17.185 22.069 208 1HE LYS 26 HE2 LYS 26 1.789 18.210 22.216 209 2HE LYS 26 HE1 LYS 26 2.476 18.295 20.596 210 1HZ LYS 26 HZ1 LYS 26 0.043 17.340 21.138 211 2HZ LYS 26 HZ2 LYS 26 0.952 15.905 21.174 212 3HZ LYS 26 HZ3 LYS 26 0.956 16.882 19.784 213 H ILE 27 HN ILE 27 6.013 16.055 19.839 214 HA ILE 27 HA ILE 27 6.017 16.625 17.074 215 HB ILE 27 HB ILE 27 7.767 17.696 19.305 216 1HG1 ILE 27 HG12 ILE 27 5.157 18.587 18.012 217 2HG1 ILE 27 HG11 ILE 27 5.456 18.220 19.706 218 1HG2 ILE 27 HG21 ILE 27 8.380 19.515 17.785 219 2HG2 ILE 27 HG22 ILE 27 7.326 18.878 16.529 220 3HG2 ILE 27 HG23 ILE 27 8.780 18.007 16.984 221 1HD1 ILE 27 HD11 ILE 27 6.309 20.611 18.106 222 2HD1 ILE 27 HD12 ILE 27 7.160 20.181 19.593 223 3HD1 ILE 27 HD13 ILE 27 5.442 20.567 19.643 224 H HIS 28 HN HIS 28 8.431 15.140 19.208 225 HA HIS 28 HA HIS 28 10.548 15.048 17.381 226 1HB HIS 28 HB2 HIS 28 9.822 13.212 19.669 227 2HB HIS 28 HB1 HIS 28 11.332 13.085 18.776 228 HD1 HIS 28 HD1 HIS 28 9.472 15.313 21.170 229 HD2 HIS 28 HD2 HIS 28 13.203 15.152 19.316 230 HE1 HIS 28 HE1 HIS 28 10.917 17.048 22.317 231 HE2 HIS 28 HE2 HIS 28 13.195 16.962 21.197 232 H ALA 29 HN ALA 29 7.549 13.647 17.092 233 HA ALA 29 HA ALA 29 8.107 11.112 15.994 234 1HB ALA 29 HB1 ALA 29 5.905 11.333 14.894 235 2HB ALA 29 HB2 ALA 29 5.859 13.033 15.354 236 3HB ALA 29 HB3 ALA 29 5.836 11.782 16.594 237 H MET 30 HN MET 30 7.806 14.319 14.476 238 HA MET 30 HA MET 30 8.183 13.410 11.832 239 1HB MET 30 HB2 MET 30 8.619 15.711 11.266 240 2HB MET 30 HB1 MET 30 7.312 15.663 12.444 241 1HG MET 30 HG2 MET 30 8.644 17.350 13.369 242 2HG MET 30 HG1 MET 30 9.311 15.955 14.182 243 1HE MET 30 HE1 MET 30 11.142 17.349 14.820 244 2HE MET 30 HE2 MET 30 11.045 18.788 13.810 245 3HE MET 30 HE3 MET 30 12.522 17.829 13.825 246 H ASN 31 HN ASN 31 10.470 14.631 14.273 247 HA ASN 31 HA ASN 31 12.765 14.689 12.709 248 1HB ASN 31 HB2 ASN 31 12.624 15.483 15.055 249 2HB ASN 31 HB1 ASN 31 12.593 13.807 15.595 250 1HD2 ASN 31 HD21 ASN 31 14.648 13.856 16.670 251 2HD2 ASN 31 HD22 ASN 31 16.109 14.058 15.831 252 H SER 32 HN SER 32 11.505 11.954 14.624 253 HA SER 32 HA SER 32 13.501 10.100 13.843 254 1HB SER 32 HB2 SER 32 11.885 8.393 14.611 255 2HB SER 32 HB1 SER 32 12.049 9.720 15.762 256 HG SER 32 HG SER 32 9.850 8.863 14.657 257 H TYR 33 HN TYR 33 10.197 10.614 12.596 258 HA TYR 33 HA TYR 33 10.430 8.702 10.488 259 1HB TYR 33 HB2 TYR 33 8.249 9.369 11.339 260 2HB TYR 33 HB1 TYR 33 8.543 11.047 10.873 261 HD1 TYR 33 HD1 TYR 33 8.656 11.696 8.498 262 HD2 TYR 33 HD2 TYR 33 7.672 7.681 9.666 263 HE1 TYR 33 HE1 TYR 33 7.813 11.233 6.208 264 HE2 TYR 33 HE2 TYR 33 6.827 7.218 7.378 265 HH TYR 33 HH TYR 33 5.934 8.526 5.450 266 H TYR 34 HN TYR 34 11.456 11.984 10.871 267 HA TYR 34 HA TYR 34 11.567 12.659 8.074 268 1HB TYR 34 HB2 TYR 34 11.395 14.428 9.760 269 2HB TYR 34 HB1 TYR 34 12.931 13.926 10.466 270 HD1 TYR 34 HD2 TYR 34 15.044 14.192 9.157 271 HD2 TYR 34 HD1 TYR 34 11.286 15.763 7.772 272 HE1 TYR 34 HE2 TYR 34 16.245 15.626 7.530 273 HE2 TYR 34 HE1 TYR 34 12.496 17.193 6.141 274 HH TYR 34 HH TYR 34 15.973 17.526 6.208 275 H ARG 35 HN ARG 35 14.099 11.966 10.502 276 HA ARG 35 HA ARG 35 16.227 11.869 8.707 277 1HB ARG 35 HB2 ARG 35 17.448 10.718 10.447 278 2HB ARG 35 HB1 ARG 35 16.521 12.052 11.133 279 1HG ARG 35 HG2 ARG 35 14.722 10.392 11.697 280 2HG ARG 35 HG1 ARG 35 15.801 9.102 11.198 281 1HD ARG 35 HD2 ARG 35 16.399 11.135 13.361 282 2HD ARG 35 HD1 ARG 35 15.845 9.494 13.644 283 HE ARG 35 HE ARG 35 17.938 8.664 12.977 284 1HH1 ARG 35 HH21 ARG 35 17.714 12.095 12.582 285 2HH1 ARG 35 HH22 ARG 35 19.418 12.314 12.368 286 1HH2 ARG 35 HH11 ARG 35 20.165 8.946 12.706 287 2HH2 ARG 35 HH12 ARG 35 20.804 10.532 12.436 288 H SER 36 HN SER 36 13.741 9.588 9.458 289 HA SER 36 HA SER 36 15.082 7.241 8.508 290 1HB SER 36 HB2 SER 36 13.259 6.862 9.987 291 2HB SER 36 HB1 SER 36 12.192 7.913 9.058 292 HG SER 36 HG SER 36 13.385 5.629 7.905 293 H VAL 37 HN VAL 37 12.701 9.473 7.099 294 HA VAL 37 HA VAL 37 12.508 8.096 4.606 295 HB VAL 37 HB VAL 37 11.880 10.926 5.483 296 1HG1 VAL 37 HG11 VAL 37 12.440 11.267 3.185 297 2HG1 VAL 37 HG12 VAL 37 10.687 11.124 3.213 298 3HG1 VAL 37 HG13 VAL 37 11.677 9.757 2.691 299 1HG2 VAL 37 HG21 VAL 37 10.176 8.560 4.628 300 2HG2 VAL 37 HG22 VAL 37 9.553 10.162 5.003 301 3HG2 VAL 37 HG23 VAL 37 10.341 9.212 6.260 302 H VAL 38 HN VAL 38 14.097 11.230 5.289 303 HA VAL 38 HA VAL 38 15.441 11.575 2.919 304 HB VAL 38 HB VAL 38 17.075 12.914 4.142 305 1HG1 VAL 38 HG11 VAL 38 14.382 13.147 5.519 306 2HG1 VAL 38 HG12 VAL 38 14.693 13.725 3.884 307 3HG1 VAL 38 HG13 VAL 38 15.557 14.430 5.247 308 1HG2 VAL 38 HG21 VAL 38 17.678 11.501 5.975 309 2HG2 VAL 38 HG22 VAL 38 16.005 11.363 6.510 310 3HG2 VAL 38 HG23 VAL 38 16.874 12.891 6.708 311 H SER 39 HN SER 39 16.449 9.561 5.663 312 HA SER 39 HA SER 39 18.982 8.829 4.712 313 1HB SER 39 HB2 SER 39 16.998 7.408 6.488 314 2HB SER 39 HB1 SER 39 18.593 6.744 6.142 315 HG SER 39 HG SER 39 18.939 9.274 6.756 316 H THR 40 HN THR 40 15.768 7.482 4.076 317 HA THR 40 HA THR 40 16.738 5.282 2.501 318 HB THR 40 HB THR 40 13.969 6.506 2.661 319 HG1 THR 40 HG1 THR 40 14.099 5.618 4.558 320 1HG2 THR 40 HG21 THR 40 13.310 4.198 1.851 321 2HG2 THR 40 HG22 THR 40 15.014 3.906 1.505 322 3HG2 THR 40 HG23 THR 40 14.145 5.184 0.651 323 H LEU 41 HN LEU 41 15.323 8.465 1.780 324 HA LEU 41 HA LEU 41 15.197 8.231 -1.001 325 1HB LEU 41 HB2 LEU 41 15.740 10.692 0.669 326 2HB LEU 41 HB1 LEU 41 15.240 10.699 -1.020 327 HG LEU 41 HG LEU 41 13.653 9.536 1.289 328 1HD1 LEU 41 HD11 LEU 41 13.253 12.034 -0.374 329 2HD1 LEU 41 HD12 LEU 41 13.727 11.981 1.317 330 3HD1 LEU 41 HD13 LEU 41 12.122 11.434 0.834 331 1HD2 LEU 41 HD21 LEU 41 11.833 9.652 -0.683 332 2HD2 LEU 41 HD22 LEU 41 12.883 8.254 -0.501 333 3HD2 LEU 41 HD23 LEU 41 13.270 9.488 -1.694 334 H VAL 42 HN VAL 42 17.911 8.584 1.082 335 HA VAL 42 HA VAL 42 19.695 9.400 -1.119 336 HB VAL 42 HB VAL 42 20.186 8.926 1.835 337 1HG1 VAL 42 HG11 VAL 42 22.431 10.037 1.271 338 2HG1 VAL 42 HG12 VAL 42 22.066 9.694 -0.421 339 3HG1 VAL 42 HG13 VAL 42 22.240 8.368 0.728 340 1HG2 VAL 42 HG21 VAL 42 20.360 11.332 1.962 341 2HG2 VAL 42 HG22 VAL 42 18.872 10.979 1.085 342 3HG2 VAL 42 HG23 VAL 42 20.310 11.488 0.207 343 H GLN 43 HN GLN 43 18.795 6.568 0.731 344 HA GLN 43 HA GLN 43 21.048 4.993 -0.320 345 1HB GLN 43 HB2 GLN 43 20.278 4.700 2.025 346 2HB GLN 43 HB1 GLN 43 18.723 4.130 1.419 347 1HG GLN 43 HG2 GLN 43 19.779 2.247 0.306 348 2HG GLN 43 HG1 GLN 43 21.383 2.859 0.707 349 1HE2 GLN 43 HE21 GLN 43 22.283 1.836 2.476 350 2HE2 GLN 43 HE22 GLN 43 21.410 1.171 3.771 351 H ASP 44 HN ASP 44 17.549 5.269 -0.656 352 HA ASP 44 HA ASP 44 16.835 3.071 -2.100 353 1HB ASP 44 HB2 ASP 44 15.231 4.539 -3.324 354 2HB ASP 44 HB1 ASP 44 15.218 4.784 -1.579 355 H GLN 45 HN GLN 45 18.002 6.082 -3.638 356 HA GLN 45 HA GLN 45 19.689 4.694 -5.472 357 1HB GLN 45 HB2 GLN 45 18.458 5.149 -7.512 358 2HB GLN 45 HB1 GLN 45 17.454 4.182 -6.432 359 1HG GLN 45 HG2 GLN 45 16.468 6.447 -5.621 360 2HG GLN 45 HG1 GLN 45 17.228 7.148 -7.047 361 1HE2 GLN 45 HE21 GLN 45 15.468 7.526 -8.413 362 2HE2 GLN 45 HE22 GLN 45 14.361 6.332 -8.893 363 H LEU 46 HN LEU 46 21.295 6.035 -5.854 364 HA LEU 46 HA LEU 46 20.935 8.930 -5.436 365 1HB LEU 46 HB2 LEU 46 23.475 7.345 -5.913 366 2HB LEU 46 HB1 LEU 46 23.353 9.031 -5.417 367 HG LEU 46 HG LEU 46 21.840 7.885 -3.443 368 1HD1 LEU 46 HD11 LEU 46 22.282 5.581 -4.331 369 2HD1 LEU 46 HD12 LEU 46 22.846 5.812 -2.679 370 3HD1 LEU 46 HD13 LEU 46 24.000 5.828 -4.011 371 1HD2 LEU 46 HD21 LEU 46 23.699 9.390 -3.006 372 2HD2 LEU 46 HD22 LEU 46 24.863 8.148 -3.467 373 3HD2 LEU 46 HD23 LEU 46 23.886 7.945 -2.011 374 H THR 47 HN THR 47 19.624 8.231 -7.671 375 HA THR 47 HA THR 47 21.100 8.124 -10.050 376 HB THR 47 HB THR 47 18.754 7.603 -10.084 377 HG1 THR 47 HG1 THR 47 19.226 8.424 -12.010 378 1HG2 THR 47 HG21 THR 47 17.055 9.322 -9.628 379 2HG2 THR 47 HG22 THR 47 18.325 10.471 -9.214 380 3HG2 THR 47 HG23 THR 47 18.066 9.047 -8.214 381 H LYS 48 HN LYS 48 20.202 10.782 -7.985 382 HA LYS 48 HA LYS 48 22.145 12.508 -9.148 383 1HB LYS 48 HB2 LYS 48 20.251 12.576 -10.849 384 2HB LYS 48 HB1 LYS 48 19.278 13.326 -9.603 385 1HG LYS 48 HG2 LYS 48 20.116 15.233 -10.640 386 2HG LYS 48 HG1 LYS 48 21.342 14.998 -9.402 387 1HD LYS 48 HD2 LYS 48 22.674 13.667 -11.114 388 2HD LYS 48 HD1 LYS 48 21.490 14.168 -12.315 389 1HE LYS 48 HE2 LYS 48 23.125 16.066 -10.609 390 2HE LYS 48 HE1 LYS 48 23.485 15.649 -12.287 391 1HZ LYS 48 HZ1 LYS 48 21.435 16.578 -12.993 392 2HZ LYS 48 HZ2 LYS 48 22.187 17.733 -11.999 393 3HZ LYS 48 HZ3 LYS 48 20.901 16.798 -11.400 394 H ASN 49 HN ASN 49 22.808 13.827 -7.583 395 HA ASN 49 HA ASN 49 21.829 13.865 -5.004 396 1HB ASN 49 HB2 ASN 49 23.014 16.155 -4.860 397 2HB ASN 49 HB1 ASN 49 23.992 14.769 -5.340 398 1HD2 ASN 49 HD21 ASN 49 25.462 16.230 -6.505 399 2HD2 ASN 49 HD22 ASN 49 25.013 16.880 -8.007 400 H ALA 50 HN ALA 50 20.819 15.791 -7.775 401 HA ALA 50 HA ALA 50 19.206 17.630 -6.264 402 1HB ALA 50 HB1 ALA 50 19.012 16.867 -9.187 403 2HB ALA 50 HB2 ALA 50 20.023 18.155 -8.535 404 3HB ALA 50 HB3 ALA 50 18.268 18.274 -8.429 405 H VAL 51 HN VAL 51 18.438 14.749 -8.230 406 HA VAL 51 HA VAL 51 15.680 14.670 -7.998 407 HB VAL 51 HB VAL 51 17.753 12.476 -8.041 408 1HG1 VAL 51 HG11 VAL 51 14.764 12.135 -7.682 409 2HG1 VAL 51 HG12 VAL 51 16.074 11.339 -6.807 410 3HG1 VAL 51 HG13 VAL 51 15.736 10.894 -8.472 411 1HG2 VAL 51 HG21 VAL 51 17.063 12.179 -10.303 412 2HG2 VAL 51 HG22 VAL 51 17.063 13.930 -10.084 413 3HG2 VAL 51 HG23 VAL 51 15.546 13.038 -10.045 414 H VAL 52 HN VAL 52 18.069 13.683 -5.571 415 HA VAL 52 HA VAL 52 15.998 12.869 -3.695 416 HB VAL 52 HB VAL 52 17.912 12.508 -2.151 417 1HG1 VAL 52 HG11 VAL 52 18.897 10.653 -3.473 418 2HG1 VAL 52 HG12 VAL 52 18.185 11.338 -4.935 419 3HG1 VAL 52 HG13 VAL 52 17.143 10.725 -3.652 420 1HG2 VAL 52 HG21 VAL 52 19.405 14.266 -3.012 421 2HG2 VAL 52 HG22 VAL 52 19.535 13.406 -4.548 422 3HG2 VAL 52 HG23 VAL 52 20.198 12.694 -3.085 423 H LEU 53 HN LEU 53 18.065 15.642 -4.278 424 HA LEU 53 HA LEU 53 17.694 16.921 -1.788 425 1HB LEU 53 HB2 LEU 53 19.268 17.481 -3.897 426 2HB LEU 53 HB1 LEU 53 18.009 18.630 -4.241 427 HG LEU 53 HG LEU 53 19.701 19.722 -2.917 428 1HD1 LEU 53 HD11 LEU 53 17.503 19.105 -0.949 429 2HD1 LEU 53 HD12 LEU 53 17.190 20.056 -2.404 430 3HD1 LEU 53 HD13 LEU 53 18.346 20.628 -1.209 431 1HD2 LEU 53 HD21 LEU 53 20.252 17.251 -1.795 432 2HD2 LEU 53 HD22 LEU 53 19.393 18.026 -0.472 433 3HD2 LEU 53 HD23 LEU 53 20.830 18.782 -1.151 434 H LYS 54 HN LYS 54 15.946 17.257 -4.850 435 HA LYS 54 HA LYS 54 14.145 19.248 -4.007 436 1HB LYS 54 HB2 LYS 54 12.691 18.306 -5.889 437 2HB LYS 54 HB1 LYS 54 14.303 18.847 -6.342 438 1HG LYS 54 HG2 LYS 54 14.884 16.763 -7.079 439 2HG LYS 54 HG1 LYS 54 14.458 16.059 -5.540 440 1HD LYS 54 HD2 LYS 54 13.104 14.946 -7.145 441 2HD LYS 54 HD1 LYS 54 12.019 16.076 -6.337 442 1HE LYS 54 HE2 LYS 54 11.686 16.221 -8.751 443 2HE LYS 54 HE1 LYS 54 12.440 17.711 -8.185 444 1HZ LYS 54 HZ1 LYS 54 14.477 17.123 -9.038 445 2HZ LYS 54 HZ2 LYS 54 13.426 16.512 -10.225 446 3HZ LYS 54 HZ3 LYS 54 14.118 15.466 -9.078 447 H ARG 55 HN ARG 55 14.006 15.711 -3.831 448 HA ARG 55 HA ARG 55 11.355 15.543 -2.842 449 1HB ARG 55 HB2 ARG 55 13.717 13.659 -2.656 450 2HB ARG 55 HB1 ARG 55 12.108 13.252 -2.057 451 1HG ARG 55 HG2 ARG 55 11.162 13.605 -4.295 452 2HG ARG 55 HG1 ARG 55 12.748 14.043 -4.911 453 1HD ARG 55 HD2 ARG 55 12.377 11.728 -5.478 454 2HD ARG 55 HD1 ARG 55 13.566 11.761 -4.179 455 HE ARG 55 HE ARG 55 11.054 11.549 -2.978 456 1HH1 ARG 55 HH21 ARG 55 13.086 9.775 -5.146 457 2HH1 ARG 55 HH22 ARG 55 12.489 8.224 -4.656 458 1HH2 ARG 55 HH11 ARG 55 10.258 9.521 -2.339 459 2HH2 ARG 55 HH12 ARG 55 10.888 8.080 -3.067 460 H ILE 56 HN ILE 56 14.513 15.818 -1.267 461 HA ILE 56 HA ILE 56 13.573 15.473 1.391 462 HB ILE 56 HB ILE 56 16.026 16.827 0.251 463 1HG1 ILE 56 HG12 ILE 56 15.786 14.227 1.802 464 2HG1 ILE 56 HG11 ILE 56 15.704 14.296 0.051 465 1HG2 ILE 56 HG21 ILE 56 15.204 16.399 3.139 466 2HG2 ILE 56 HG22 ILE 56 15.753 17.888 2.370 467 3HG2 ILE 56 HG23 ILE 56 16.895 16.586 2.672 468 1HD1 ILE 56 HD11 ILE 56 17.995 15.310 1.730 469 2HD1 ILE 56 HD12 ILE 56 17.909 15.362 -0.027 470 3HD1 ILE 56 HD13 ILE 56 17.995 13.811 0.804 471 H GLN 57 HN GLN 57 14.198 18.376 -0.579 472 HA GLN 57 HA GLN 57 13.587 20.296 1.364 473 1HB GLN 57 HB2 GLN 57 13.363 20.319 -1.657 474 2HB GLN 57 HB1 GLN 57 12.998 21.743 -0.682 475 1HG GLN 57 HG2 GLN 57 15.609 20.244 -0.462 476 2HG GLN 57 HG1 GLN 57 15.390 21.592 -1.567 477 1HE2 GLN 57 HE21 GLN 57 14.913 23.735 -0.580 478 2HE2 GLN 57 HE22 GLN 57 15.359 24.041 1.029 479 H HIS 58 HN HIS 58 11.530 18.396 -0.758 480 HA HIS 58 HA HIS 58 9.134 19.843 -0.233 481 1HB HIS 58 HB2 HIS 58 9.525 16.980 -1.143 482 2HB HIS 58 HB1 HIS 58 8.011 17.883 -1.202 483 HD1 HIS 58 HD1 HIS 58 8.980 16.969 -3.875 484 HD2 HIS 58 HD2 HIS 58 10.292 20.552 -2.193 485 HE1 HIS 58 HE1 HIS 58 9.823 18.395 -5.790 486 HE2 HIS 58 HE2 HIS 58 10.624 20.583 -4.781 487 H LEU 59 HN LEU 59 10.642 16.954 1.170 488 HA LEU 59 HA LEU 59 8.579 16.155 2.854 489 1HB LEU 59 HB2 LEU 59 10.739 14.918 2.485 490 2HB LEU 59 HB1 LEU 59 11.525 16.084 3.544 491 HG LEU 59 HG LEU 59 9.913 15.453 5.367 492 1HD1 LEU 59 HD11 LEU 59 8.000 14.515 4.431 493 2HD1 LEU 59 HD12 LEU 59 8.856 13.058 4.906 494 3HD1 LEU 59 HD13 LEU 59 8.897 13.592 3.228 495 1HD2 LEU 59 HD21 LEU 59 12.124 14.485 5.351 496 2HD2 LEU 59 HD22 LEU 59 11.634 13.272 4.171 497 3HD2 LEU 59 HD23 LEU 59 10.976 13.225 5.806 498 H ASP 60 HN ASP 60 10.798 18.833 3.147 499 HA ASP 60 HA ASP 60 10.646 19.415 5.859 500 1HB ASP 60 HB2 ASP 60 12.045 20.613 4.142 501 2HB ASP 60 HB1 ASP 60 10.594 21.476 3.642 502 H GLU 61 HN GLU 61 8.250 19.838 3.350 503 HA GLU 61 HA GLU 61 6.532 21.647 4.686 504 1HB GLU 61 HB2 GLU 61 4.959 21.162 2.994 505 2HB GLU 61 HB1 GLU 61 6.512 20.867 2.215 506 1HG GLU 61 HG2 GLU 61 6.174 18.384 2.984 507 2HG GLU 61 HG1 GLU 61 4.496 18.841 3.237 508 H ALA 62 HN ALA 62 6.946 18.174 4.867 509 HA ALA 62 HA ALA 62 4.539 17.629 6.289 510 1HB ALA 62 HB1 ALA 62 5.615 15.454 6.769 511 2HB ALA 62 HB2 ALA 62 7.122 16.067 6.110 512 3HB ALA 62 HB3 ALA 62 5.717 15.871 5.063 513 H TYR 63 HN TYR 63 7.934 17.687 7.373 514 HA TYR 63 HA TYR 63 7.485 17.418 10.080 515 1HB TYR 63 HB2 TYR 63 9.761 17.496 9.999 516 2HB TYR 63 HB1 TYR 63 9.694 18.179 8.377 517 HD1 TYR 63 HD1 TYR 63 9.520 19.058 11.996 518 HD2 TYR 63 HD2 TYR 63 10.200 20.504 8.019 519 HE1 TYR 63 HE1 TYR 63 10.246 21.228 12.921 520 HE2 TYR 63 HE2 TYR 63 10.914 22.691 8.941 521 HH TYR 63 HH TYR 63 10.740 23.342 12.434 522 H ASN 64 HN ASN 64 7.496 20.362 8.107 523 HA ASN 64 HA ASN 64 7.155 22.205 10.217 524 1HB ASN 64 HB2 ASN 64 7.907 22.836 7.944 525 2HB ASN 64 HB1 ASN 64 6.299 22.462 7.325 526 1HD2 ASN 64 HD21 ASN 64 5.759 24.662 6.746 527 2HD2 ASN 64 HD22 ASN 64 5.545 25.875 7.914 528 H LYS 65 HN LYS 65 4.926 20.276 8.333 529 HA LYS 65 HA LYS 65 2.554 21.602 9.079 530 1HB LYS 65 HB2 LYS 65 2.886 19.835 7.232 531 2HB LYS 65 HB1 LYS 65 2.749 18.637 8.510 532 1HG LYS 65 HG2 LYS 65 0.509 18.803 7.847 533 2HG LYS 65 HG1 LYS 65 0.535 20.000 9.131 534 1HD LYS 65 HD2 LYS 65 0.921 21.776 7.424 535 2HD LYS 65 HD1 LYS 65 0.843 20.551 6.163 536 1HE LYS 65 HE2 LYS 65 -1.453 19.982 6.854 537 2HE LYS 65 HE1 LYS 65 -1.374 21.209 8.121 538 1HZ LYS 65 HZ1 LYS 65 -2.339 21.718 5.729 539 2HZ LYS 65 HZ2 LYS 65 -0.701 22.044 5.413 540 3HZ LYS 65 HZ3 LYS 65 -1.516 22.889 6.640 541 H VAL 66 HN VAL 66 4.390 18.976 10.562 542 HA VAL 66 HA VAL 66 2.487 18.285 12.527 543 HB VAL 66 HB VAL 66 5.519 18.046 12.594 544 1HG1 VAL 66 HG11 VAL 66 3.361 16.841 14.345 545 2HG1 VAL 66 HG12 VAL 66 4.702 17.866 14.858 546 3HG1 VAL 66 HG13 VAL 66 5.014 16.230 14.277 547 1HG2 VAL 66 HG21 VAL 66 4.959 15.664 11.992 548 2HG2 VAL 66 HG22 VAL 66 4.581 16.833 10.729 549 3HG2 VAL 66 HG23 VAL 66 3.292 16.173 11.734 550 H LYS 67 HN LYS 67 5.321 20.424 12.691 551 HA LYS 67 HA LYS 67 4.886 21.281 15.347 552 1HB LYS 67 HB2 LYS 67 6.274 22.746 13.109 553 2HB LYS 67 HB1 LYS 67 6.479 23.010 14.832 554 1HG LYS 67 HG2 LYS 67 6.903 20.206 14.442 555 2HG LYS 67 HG1 LYS 67 7.746 20.999 13.126 556 1HD LYS 67 HD2 LYS 67 8.091 21.543 16.087 557 2HD LYS 67 HD1 LYS 67 9.235 20.703 15.038 558 1HE LYS 67 HE2 LYS 67 8.923 23.099 13.673 559 2HE LYS 67 HE1 LYS 67 8.775 23.630 15.348 560 1HZ LYS 67 HZ1 LYS 67 10.977 23.546 15.419 561 2HZ LYS 67 HZ2 LYS 67 11.078 22.746 13.923 562 3HZ LYS 67 HZ3 LYS 67 10.865 21.854 15.354 563 H ARG 68 HN ARG 68 4.064 22.716 12.220 564 HA ARG 68 HA ARG 68 2.948 25.107 13.072 565 1HB ARG 68 HB2 ARG 68 2.386 23.290 10.737 566 2HB ARG 68 HB1 ARG 68 1.508 24.794 10.925 567 1HG ARG 68 HG2 ARG 68 4.529 24.821 11.053 568 2HG ARG 68 HG1 ARG 68 3.735 24.743 9.484 569 1HD ARG 68 HD2 ARG 68 2.563 26.815 9.903 570 2HD ARG 68 HD1 ARG 68 3.136 26.869 11.562 571 HE ARG 68 HE ARG 68 5.358 26.771 9.812 572 1HH1 ARG 68 HH21 ARG 68 2.760 28.812 10.842 573 2HH1 ARG 68 HH22 ARG 68 3.615 30.288 10.543 574 1HH2 ARG 68 HH11 ARG 68 6.488 28.705 9.416 575 2HH2 ARG 68 HH12 ARG 68 5.726 30.228 9.736 576 H GLY 69 HN GLY 69 1.727 21.870 13.282 577 1HA GLY 69 HA2 GLY 69 -1.026 22.609 13.748 578 2HA GLY 69 HA1 GLY 69 -0.309 21.011 13.922 579 H GLU 70 HN GLU 70 1.829 22.593 15.589 580 HA GLU 70 HA GLU 70 0.533 22.077 18.161 581 1HB GLU 70 HB2 GLU 70 3.366 22.932 17.501 582 2HB GLU 70 HB1 GLU 70 2.781 22.446 19.085 583 1HG GLU 70 HG2 GLU 70 2.646 20.670 16.633 584 2HG GLU 70 HG1 GLU 70 3.935 20.605 17.814 585 H SER 71 HN SER 71 1.845 23.881 19.777 586 HA SER 71 HA SER 71 1.181 26.588 18.842 587 1HB SER 71 HB2 SER 71 -0.323 27.036 20.670 588 2HB SER 71 HB1 SER 71 -0.914 25.629 19.792 589 HG SER 71 HG SER 71 0.005 24.317 21.380 590 H LYS 72 HN LYS 72 3.686 25.837 19.211 591 HA LYS 72 HA LYS 72 5.622 26.310 20.320 592 1HB LYS 72 HB2 LYS 72 3.841 28.310 21.741 593 2HB LYS 72 HB1 LYS 72 5.597 28.290 21.804 594 1HG LYS 72 HG2 LYS 72 5.709 28.596 19.372 595 2HG LYS 72 HG1 LYS 72 3.947 28.576 19.280 596 1HD LYS 72 HD2 LYS 72 3.884 30.556 20.801 597 2HD LYS 72 HD1 LYS 72 5.648 30.609 20.752 598 1HE LYS 72 HE2 LYS 72 3.812 30.844 18.349 599 2HE LYS 72 HE1 LYS 72 4.675 32.178 19.115 600 1HZ LYS 72 HZ1 LYS 72 5.941 31.447 17.257 601 2HZ LYS 72 HZ2 LYS 72 5.858 29.823 17.752 602 3HZ LYS 72 HZ3 LYS 72 6.761 30.944 18.654 603 H LEU 73 HN LEU 73 3.587 24.348 21.413 604 HA LEU 73 HA LEU 73 3.618 24.371 24.216 605 1HB LEU 73 HB2 LEU 73 2.195 22.875 22.777 606 2HB LEU 73 HB1 LEU 73 3.635 21.922 22.438 607 HG LEU 73 HG LEU 73 3.907 21.558 24.922 608 1HD1 LEU 73 HD11 LEU 73 1.329 23.127 24.981 609 2HD1 LEU 73 HD12 LEU 73 2.735 23.254 26.038 610 3HD1 LEU 73 HD13 LEU 73 1.638 21.896 26.204 611 1HD2 LEU 73 HD21 LEU 73 2.921 19.832 23.548 612 2HD2 LEU 73 HD22 LEU 73 1.345 20.620 23.604 613 3HD2 LEU 73 HD23 LEU 73 2.030 19.911 25.066 614 H GLU 74 HN GLU 74 5.572 24.797 25.154 615 HA GLU 74 HA GLU 74 7.369 22.685 25.590 616 1HB GLU 74 HB2 GLU 74 9.387 23.811 24.403 617 2HB GLU 74 HB1 GLU 74 8.270 22.887 23.413 618 1HG GLU 74 HG2 GLU 74 7.258 24.809 22.497 619 2HG GLU 74 HG1 GLU 74 7.820 25.854 23.795 620 H HIS 75 HN HIS 75 6.024 24.518 27.191 621 HA HIS 75 HA HIS 75 6.359 25.838 29.027 622 1HB HIS 75 HB2 HIS 75 8.306 24.216 29.343 623 2HB HIS 75 HB1 HIS 75 9.338 25.432 28.603 624 HD1 HIS 75 HD1 HIS 75 9.809 27.600 29.939 625 HD2 HIS 75 HD2 HIS 75 7.363 24.886 31.946 626 HE1 HIS 75 HE1 HIS 75 9.663 28.404 32.337 627 HE2 HIS 75 HE2 HIS 75 8.176 26.759 33.574 628 H HIS 76 HN HIS 76 5.551 27.604 27.726 629 HA HIS 76 HA HIS 76 7.072 29.300 26.126 630 1HB HIS 76 HB2 HIS 76 4.756 30.022 27.942 631 2HB HIS 76 HB1 HIS 76 5.360 31.008 26.609 632 HD1 HIS 76 HD1 HIS 76 3.868 27.563 27.227 633 HD2 HIS 76 HD2 HIS 76 4.304 30.317 24.128 634 HE1 HIS 76 HE1 HIS 76 2.542 26.655 25.269 635 HE2 HIS 76 HE2 HIS 76 2.798 28.322 23.372 636 H HIS 77 HN HIS 77 8.747 30.574 26.554 637 HA HIS 77 HA HIS 77 9.554 31.086 29.309 638 1HB HIS 77 HB2 HIS 77 11.197 30.454 27.535 639 2HB HIS 77 HB1 HIS 77 10.858 31.985 26.727 640 HD1 HIS 77 HD1 HIS 77 12.051 34.036 27.594 641 HD2 HIS 77 HD2 HIS 77 12.357 30.812 30.221 642 HE1 HIS 77 HE1 HIS 77 13.664 34.744 29.413 643 HE2 HIS 77 HE2 HIS 77 13.862 32.789 31.022 644 H HIS 78 HN HIS 78 7.120 32.363 28.045 645 HA HIS 78 HA HIS 78 6.068 34.403 28.019 646 1HB HIS 78 HB2 HIS 78 6.771 34.295 30.411 647 2HB HIS 78 HB1 HIS 78 8.246 35.162 29.982 648 HD1 HIS 78 HD1 HIS 78 8.054 37.676 29.476 649 HD2 HIS 78 HD2 HIS 78 4.372 35.873 30.232 650 HE1 HIS 78 HE1 HIS 78 6.375 39.555 29.730 651 HE2 HIS 78 HE2 HIS 78 4.125 38.473 30.192 652 H HIS 79 HN HIS 79 6.832 34.643 25.785 653 HA HIS 79 HA HIS 79 8.360 37.125 25.475 654 1HB HIS 79 HB2 HIS 79 10.037 35.271 25.343 655 2HB HIS 79 HB1 HIS 79 9.140 34.607 23.978 656 HD1 HIS 79 HD1 HIS 79 9.189 35.940 21.744 657 HD2 HIS 79 HD2 HIS 79 11.497 37.649 24.767 658 HE1 HIS 79 HE1 HIS 79 10.627 37.707 20.636 659 HE2 HIS 79 HE2 HIS 79 12.040 38.757 22.466 660 H HIS 80 HN HIS 80 7.715 38.312 23.758 661 HA HIS 80 HA HIS 80 5.221 37.860 22.585 662 1HB HIS 80 HB2 HIS 80 7.506 39.568 21.570 663 2HB HIS 80 HB1 HIS 80 5.830 39.681 21.031 664 HD1 HIS 80 HD1 HIS 80 4.043 40.291 22.978 665 HD2 HIS 80 HD2 HIS 80 8.048 41.010 23.885 666 HE1 HIS 80 HE1 HIS 80 4.057 41.845 24.978 667 HE2 HIS 80 HE2 HIS 80 6.492 42.294 25.543 668 1H MET 1 HT1 MET 1 44.268 32.110 14.141 669 2H MET 1 HT2 MET 1 45.460 32.580 15.258 670 3H MET 1 HT3 MET 1 44.798 33.721 14.188 671 HA MET 1 HA MET 1 43.705 32.623 16.656 672 1HB MET 1 HB2 MET 1 43.501 35.266 15.181 673 2HB MET 1 HB1 MET 1 42.760 34.939 16.748 674 1HG MET 1 HG2 MET 1 44.837 36.020 17.231 675 2HG MET 1 HG1 MET 1 45.114 34.313 17.568 676 1HE MET 1 HE1 MET 1 47.377 35.729 17.569 677 2HE MET 1 HE2 MET 1 47.172 37.060 16.432 678 3HE MET 1 HE3 MET 1 48.423 35.851 16.147 679 H SER 2 HN SER 2 43.011 32.326 13.437 680 HA SER 2 HA SER 2 40.141 32.724 13.523 681 1HB SER 2 HB2 SER 2 40.195 31.726 11.262 682 2HB SER 2 HB1 SER 2 41.369 33.029 11.428 683 HG SER 2 HG SER 2 42.476 31.369 10.531 684 H GLU 3 HN GLU 3 42.264 29.864 13.201 685 HA GLU 3 HA GLU 3 41.855 27.627 13.607 686 1HB GLU 3 HB2 GLU 3 40.282 28.892 15.866 687 2HB GLU 3 HB1 GLU 3 40.671 27.174 15.767 688 1HG GLU 3 HG2 GLU 3 42.345 28.177 17.164 689 2HG GLU 3 HG1 GLU 3 43.120 27.836 15.619 690 H LEU 4 HN LEU 4 40.736 27.096 11.766 691 HA LEU 4 HA LEU 4 38.091 26.151 12.189 692 1HB LEU 4 HB2 LEU 4 38.030 28.805 11.613 693 2HB LEU 4 HB1 LEU 4 38.116 28.188 9.972 694 HG LEU 4 HG LEU 4 36.182 26.548 10.839 695 1HD1 LEU 4 HD11 LEU 4 35.783 28.981 12.595 696 2HD1 LEU 4 HD12 LEU 4 36.329 27.410 13.176 697 3HD1 LEU 4 HD13 LEU 4 34.720 27.580 12.475 698 1HD2 LEU 4 HD21 LEU 4 34.489 28.220 10.076 699 2HD2 LEU 4 HD22 LEU 4 35.875 28.118 8.990 700 3HD2 LEU 4 HD23 LEU 4 35.738 29.465 10.121 701 H PHE 5 HN PHE 5 37.296 26.190 9.450 702 HA PHE 5 HA PHE 5 37.562 25.076 7.483 703 1HB PHE 5 HB2 PHE 5 39.712 26.418 7.372 704 2HB PHE 5 HB1 PHE 5 40.542 25.030 8.061 705 HD1 PHE 5 HD1 PHE 5 38.532 26.197 5.172 706 HD2 PHE 5 HD2 PHE 5 41.065 23.095 6.726 707 HE1 PHE 5 HE1 PHE 5 38.690 25.192 2.910 708 HE2 PHE 5 HE2 PHE 5 41.222 22.091 4.465 709 HZ PHE 5 HZ PHE 5 40.036 23.138 2.556 710 H SER 6 HN SER 6 39.593 23.864 10.104 711 HA SER 6 HA SER 6 39.667 21.176 9.225 712 1HB SER 6 HB2 SER 6 39.778 21.955 12.143 713 2HB SER 6 HB1 SER 6 40.686 20.706 11.289 714 HG SER 6 HG SER 6 41.063 23.477 11.376 715 H VAL 7 HN VAL 7 38.210 19.582 9.346 716 HA VAL 7 HA VAL 7 35.517 20.024 10.010 717 HB VAL 7 HB VAL 7 37.091 17.450 9.799 718 1HG1 VAL 7 HG11 VAL 7 34.791 16.421 9.475 719 2HG1 VAL 7 HG12 VAL 7 34.122 17.900 10.153 720 3HG1 VAL 7 HG13 VAL 7 35.183 16.881 11.128 721 1HG2 VAL 7 HG21 VAL 7 35.176 18.787 7.876 722 2HG2 VAL 7 HG22 VAL 7 36.050 17.281 7.600 723 3HG2 VAL 7 HG23 VAL 7 36.935 18.799 7.733 724 HA PRO 8 HA PRO 8 36.611 17.598 14.175 725 1HB PRO 8 HB2 PRO 8 39.099 18.652 15.124 726 2HB PRO 8 HB1 PRO 8 38.809 17.008 14.524 727 1HG PRO 8 HG2 PRO 8 39.870 19.387 13.058 728 2HG PRO 8 HG1 PRO 8 40.360 17.685 12.944 729 1HD PRO 8 HD2 PRO 8 38.860 18.691 11.026 730 2HD PRO 8 HD1 PRO 8 38.450 17.095 11.662 731 H TYR 9 HN TYR 9 37.333 20.871 13.200 732 HA TYR 9 HA TYR 9 37.052 22.151 15.706 733 1HB TYR 9 HB2 TYR 9 37.987 23.200 13.638 734 2HB TYR 9 HB1 TYR 9 36.352 23.259 12.982 735 HD1 TYR 9 HD2 TYR 9 34.617 24.686 14.009 736 HD2 TYR 9 HD1 TYR 9 38.669 24.691 15.436 737 HE1 TYR 9 HE2 TYR 9 34.178 26.788 15.246 738 HE2 TYR 9 HE1 TYR 9 38.231 26.793 16.672 739 HH TYR 9 HH TYR 9 35.433 28.681 16.161 740 H PHE 10 HN PHE 10 34.708 21.335 13.174 741 HA PHE 10 HA PHE 10 32.462 22.610 14.312 742 1HB PHE 10 HB2 PHE 10 32.952 20.522 12.244 743 2HB PHE 10 HB1 PHE 10 31.346 20.478 12.964 744 HD1 PHE 10 HD2 PHE 10 33.635 23.351 12.191 745 HD2 PHE 10 HD1 PHE 10 29.859 21.458 11.400 746 HE1 PHE 10 HE2 PHE 10 32.962 25.280 10.789 747 HE2 PHE 10 HE1 PHE 10 29.192 23.389 9.999 748 HZ PHE 10 HZ PHE 10 30.729 25.294 9.689 749 H ILE 11 HN ILE 11 33.728 19.313 14.722 750 HA ILE 11 HA ILE 11 31.626 18.444 16.437 751 HB ILE 11 HB ILE 11 34.447 17.375 16.202 752 1HG1 ILE 11 HG12 ILE 11 31.931 16.486 14.745 753 2HG1 ILE 11 HG11 ILE 11 33.157 17.518 14.023 754 1HG2 ILE 11 HG21 ILE 11 31.859 16.173 17.239 755 2HG2 ILE 11 HG22 ILE 11 33.295 16.547 18.190 756 3HG2 ILE 11 HG23 ILE 11 33.347 15.264 16.989 757 1HD1 ILE 11 HD11 ILE 11 34.853 15.787 14.327 758 2HD1 ILE 11 HD12 ILE 11 33.481 15.127 13.434 759 3HD1 ILE 11 HD13 ILE 11 33.681 14.755 15.144 760 H GLU 12 HN GLU 12 34.878 19.730 17.013 761 HA GLU 12 HA GLU 12 35.073 19.440 19.767 762 1HB GLU 12 HB2 GLU 12 36.088 21.527 17.838 763 2HB GLU 12 HB1 GLU 12 36.401 21.714 19.562 764 1HG GLU 12 HG2 GLU 12 37.091 19.179 18.041 765 2HG GLU 12 HG1 GLU 12 38.222 20.517 18.235 766 H ASN 13 HN ASN 13 33.057 21.627 17.934 767 HA ASN 13 HA ASN 13 32.443 23.414 20.090 768 1HB ASN 13 HB2 ASN 13 32.172 24.054 17.724 769 2HB ASN 13 HB1 ASN 13 30.910 22.836 17.545 770 1HD2 ASN 13 HD21 ASN 13 29.105 24.246 17.242 771 2HD2 ASN 13 HD22 ASN 13 28.592 25.353 18.422 772 H LEU 14 HN LEU 14 31.158 20.375 18.911 773 HA LEU 14 HA LEU 14 28.703 20.439 20.380 774 1HB LEU 14 HB2 LEU 14 30.172 17.999 19.350 775 2HB LEU 14 HB1 LEU 14 28.446 18.157 19.680 776 HG LEU 14 HG LEU 14 29.966 19.728 17.576 777 1HD1 LEU 14 HD11 LEU 14 27.952 17.522 17.134 778 2HD1 LEU 14 HD12 LEU 14 29.695 17.251 17.127 779 3HD1 LEU 14 HD13 LEU 14 28.960 18.327 15.941 780 1HD2 LEU 14 HD21 LEU 14 28.127 21.070 18.194 781 2HD2 LEU 14 HD22 LEU 14 27.068 19.680 18.439 782 3HD2 LEU 14 HD23 LEU 14 27.530 20.164 16.814 783 H LYS 15 HN LYS 15 31.949 19.224 20.980 784 HA LYS 15 HA LYS 15 31.476 17.628 23.200 785 1HB LYS 15 HB2 LYS 15 33.656 17.830 22.024 786 2HB LYS 15 HB1 LYS 15 33.873 19.414 22.768 787 1HG LYS 15 HG2 LYS 15 33.781 18.410 25.004 788 2HG LYS 15 HG1 LYS 15 33.469 16.825 24.297 789 1HD LYS 15 HD2 LYS 15 35.650 16.913 23.146 790 2HD LYS 15 HD1 LYS 15 35.964 18.491 23.869 791 1HE LYS 15 HE2 LYS 15 35.829 17.501 26.118 792 2HE LYS 15 HE1 LYS 15 35.490 15.922 25.409 793 1HZ LYS 15 HZ1 LYS 15 37.952 16.895 25.983 794 2HZ LYS 15 HZ2 LYS 15 37.823 17.180 24.313 795 3HZ LYS 15 HZ3 LYS 15 37.626 15.608 24.928 796 H GLN 16 HN GLN 16 31.881 21.133 22.942 797 HA GLN 16 HA GLN 16 31.924 21.690 25.729 798 1HB GLN 16 HB2 GLN 16 32.681 23.280 23.965 799 2HB GLN 16 HB1 GLN 16 30.998 23.492 23.483 800 1HG GLN 16 HG2 GLN 16 30.421 24.372 25.672 801 2HG GLN 16 HG1 GLN 16 32.034 24.013 26.282 802 1HE2 GLN 16 HE21 GLN 16 32.640 26.213 26.715 803 2HE2 GLN 16 HE22 GLN 16 32.844 27.358 25.478 804 H HIS 17 HN HIS 17 29.323 21.351 23.378 805 HA HIS 17 HA HIS 17 27.240 22.370 24.990 806 1HB HIS 17 HB2 HIS 17 27.115 20.243 22.840 807 2HB HIS 17 HB1 HIS 17 25.737 21.124 23.491 808 HD1 HIS 17 HD1 HIS 17 27.779 23.776 23.643 809 HD2 HIS 17 HD2 HIS 17 26.508 21.617 20.310 810 HE1 HIS 17 HE1 HIS 17 28.017 25.325 21.653 811 HE2 HIS 17 HE2 HIS 17 27.246 24.023 19.614 812 H ILE 18 HN ILE 18 28.310 19.010 24.453 813 HA ILE 18 HA ILE 18 26.538 17.932 26.440 814 HB ILE 18 HB ILE 18 27.760 15.824 26.060 815 1HG1 ILE 18 HG12 ILE 18 29.584 17.610 24.440 816 2HG1 ILE 18 HG11 ILE 18 30.037 16.667 25.850 817 1HG2 ILE 18 HG21 ILE 18 27.342 17.257 23.417 818 2HG2 ILE 18 HG22 ILE 18 26.015 16.720 24.437 819 3HG2 ILE 18 HG23 ILE 18 27.121 15.541 23.758 820 1HD1 ILE 18 HD11 ILE 18 30.817 15.392 24.020 821 2HD1 ILE 18 HD12 ILE 18 29.333 15.655 23.103 822 3HD1 ILE 18 HD13 ILE 18 29.320 14.598 24.515 823 H GLU 19 HN GLU 19 29.989 18.722 26.342 824 HA GLU 19 HA GLU 19 30.617 17.722 28.919 825 1HB GLU 19 HB2 GLU 19 32.314 18.258 27.193 826 2HB GLU 19 HB1 GLU 19 31.948 19.972 27.389 827 1HG GLU 19 HG2 GLU 19 32.683 19.906 29.712 828 2HG GLU 19 HG1 GLU 19 32.925 18.163 29.616 829 H MET 20 HN MET 20 30.049 21.088 27.842 830 HA MET 20 HA MET 20 29.596 21.890 30.648 831 1HB MET 20 HB2 MET 20 29.850 23.600 28.156 832 2HB MET 20 HB1 MET 20 29.802 24.171 29.819 833 1HG MET 20 HG2 MET 20 31.863 22.877 30.305 834 2HG MET 20 HG1 MET 20 31.939 22.405 28.607 835 1HE MET 20 HE1 MET 20 34.000 23.501 27.565 836 2HE MET 20 HE2 MET 20 34.359 23.357 29.285 837 3HE MET 20 HE3 MET 20 34.782 24.835 28.427 838 H ASN 21 HN ASN 21 28.039 24.220 29.561 839 HA ASN 21 HA ASN 21 25.618 23.227 28.424 840 1HB ASN 21 HB2 ASN 21 24.179 23.438 30.406 841 2HB ASN 21 HB1 ASN 21 25.393 22.183 30.641 842 1HD2 ASN 21 HD21 ASN 21 24.640 22.877 33.024 843 2HD2 ASN 21 HD22 ASN 21 25.612 24.060 33.756 844 H GLN 22 HN GLN 22 27.233 25.347 27.778 845 HA GLN 22 HA GLN 22 26.671 27.821 28.920 846 1HB GLN 22 HB2 GLN 22 27.219 27.076 26.041 847 2HB GLN 22 HB1 GLN 22 27.201 28.737 26.638 848 1HG GLN 22 HG2 GLN 22 28.995 28.197 28.227 849 2HG GLN 22 HG1 GLN 22 28.996 26.524 27.670 850 1HE2 GLN 22 HE21 GLN 22 30.560 29.465 27.235 851 2HE2 GLN 22 HE22 GLN 22 31.204 29.191 25.689 852 H SER 23 HN SER 23 24.930 26.076 26.360 853 HA SER 23 HA SER 23 22.388 27.001 27.104 854 1HB SER 23 HB2 SER 23 23.838 28.710 25.106 855 2HB SER 23 HB1 SER 23 22.100 28.491 24.933 856 HG SER 23 HG SER 23 22.470 28.953 27.457 857 H GLU 24 HN GLU 24 22.631 24.579 26.649 858 HA GLU 24 HA GLU 24 21.287 24.014 24.179 859 1HB GLU 24 HB2 GLU 24 23.857 24.192 23.644 860 2HB GLU 24 HB1 GLU 24 23.966 22.616 24.412 861 1HG GLU 24 HG2 GLU 24 23.626 22.143 22.091 862 2HG GLU 24 HG1 GLU 24 22.050 21.883 22.836 863 H ASP 25 HN ASP 25 22.734 21.236 24.472 864 HA ASP 25 HA ASP 25 21.628 20.241 26.976 865 1HB ASP 25 HB2 ASP 25 20.457 19.461 24.291 866 2HB ASP 25 HB1 ASP 25 20.141 18.609 25.805 867 H LYS 26 HN LYS 26 21.543 17.594 26.412 868 HA LYS 26 HA LYS 26 24.371 16.989 26.100 869 1HB LYS 26 HB2 LYS 26 22.927 15.994 27.879 870 2HB LYS 26 HB1 LYS 26 22.063 15.114 26.630 871 1HG LYS 26 HG2 LYS 26 24.135 13.978 25.955 872 2HG LYS 26 HG1 LYS 26 25.061 14.943 27.094 873 1HD LYS 26 HD2 LYS 26 24.737 12.868 28.206 874 2HD LYS 26 HD1 LYS 26 23.550 13.942 28.936 875 1HE LYS 26 HE2 LYS 26 22.611 11.700 28.384 876 2HE LYS 26 HE1 LYS 26 21.780 12.986 27.521 877 1HZ LYS 26 HZ1 LYS 26 24.045 11.472 26.366 878 2HZ LYS 26 HZ2 LYS 26 22.960 12.497 25.558 879 3HZ LYS 26 HZ3 LYS 26 22.430 11.001 26.163 880 H ILE 27 HN ILE 27 22.310 14.482 25.029 881 HA ILE 27 HA ILE 27 23.613 14.215 22.536 882 HB ILE 27 HB ILE 27 22.511 12.380 23.784 883 1HG1 ILE 27 HG12 ILE 27 21.346 12.717 21.000 884 2HG1 ILE 27 HG11 ILE 27 23.038 12.310 21.288 885 1HG2 ILE 27 HG21 ILE 27 20.120 12.132 23.775 886 2HG2 ILE 27 HG22 ILE 27 19.915 13.525 22.715 887 3HG2 ILE 27 HG23 ILE 27 20.465 13.753 24.375 888 1HD1 ILE 27 HD11 ILE 27 22.560 10.208 22.069 889 2HD1 ILE 27 HD12 ILE 27 21.241 10.411 20.921 890 3HD1 ILE 27 HD13 ILE 27 20.946 10.637 22.634 891 H HIS 28 HN HIS 28 20.635 15.812 23.512 892 HA HIS 28 HA HIS 28 19.624 16.250 20.887 893 1HB HIS 28 HB2 HIS 28 19.119 17.677 23.504 894 2HB HIS 28 HB1 HIS 28 18.217 17.988 22.023 895 HD1 HIS 28 HD1 HIS 28 17.114 15.681 20.944 896 HD2 HIS 28 HD2 HIS 28 18.025 15.638 25.012 897 HE1 HIS 28 HE1 HIS 28 15.781 13.781 21.957 898 HE2 HIS 28 HE2 HIS 28 16.325 13.741 24.436 899 H ALA 29 HN ALA 29 22.483 17.209 21.959 900 HA ALA 29 HA ALA 29 22.501 20.020 21.324 901 1HB ALA 29 HB1 ALA 29 24.141 19.134 22.869 902 2HB ALA 29 HB2 ALA 29 24.975 19.748 21.445 903 3HB ALA 29 HB3 ALA 29 24.741 18.012 21.650 904 H MET 30 HN MET 30 23.531 17.051 19.668 905 HA MET 30 HA MET 30 24.572 18.269 17.350 906 1HB MET 30 HB2 MET 30 23.809 15.909 16.339 907 2HB MET 30 HB1 MET 30 25.145 16.001 17.485 908 1HG MET 30 HG2 MET 30 23.882 15.134 19.247 909 2HG MET 30 HG1 MET 30 22.359 15.696 18.573 910 1HE MET 30 HE1 MET 30 21.253 14.715 16.426 911 2HE MET 30 HE2 MET 30 20.693 14.015 17.943 912 3HE MET 30 HE3 MET 30 20.977 12.972 16.552 913 H ASN 31 HN ASN 31 21.290 17.027 18.070 914 HA ASN 31 HA ASN 31 20.121 17.447 15.586 915 1HB ASN 31 HB2 ASN 31 18.972 16.355 17.471 916 2HB ASN 31 HB1 ASN 31 18.876 17.902 18.311 917 1HD2 ASN 31 HD21 ASN 31 16.958 15.874 16.595 918 2HD2 ASN 31 HD22 ASN 31 15.927 16.997 15.847 919 H SER 32 HN SER 32 20.466 19.770 18.275 920 HA SER 32 HA SER 32 19.201 21.933 16.918 921 1HB SER 32 HB2 SER 32 21.191 21.883 19.187 922 2HB SER 32 HB1 SER 32 20.328 23.328 18.662 923 HG SER 32 HG SER 32 18.411 22.360 19.232 924 H TYR 33 HN TYR 33 22.656 21.258 17.539 925 HA TYR 33 HA TYR 33 23.688 23.378 15.997 926 1HB TYR 33 HB2 TYR 33 25.047 22.194 17.644 927 2HB TYR 33 HB1 TYR 33 24.912 20.697 16.718 928 HD1 TYR 33 HD1 TYR 33 25.980 20.486 14.498 929 HD2 TYR 33 HD2 TYR 33 26.548 23.974 16.939 930 HE1 TYR 33 HE1 TYR 33 27.908 21.162 13.086 931 HE2 TYR 33 HE2 TYR 33 28.481 24.647 15.535 932 HH TYR 33 HH TYR 33 29.413 24.284 13.404 933 H TYR 34 HN TYR 34 23.104 19.967 15.190 934 HA TYR 34 HA TYR 34 24.129 19.938 12.600 935 1HB TYR 34 HB2 TYR 34 23.415 17.905 13.826 936 2HB TYR 34 HB1 TYR 34 21.732 18.410 13.667 937 HD1 TYR 34 HD1 TYR 34 24.702 17.152 11.896 938 HD2 TYR 34 HD2 TYR 34 20.583 18.297 11.494 939 HE1 TYR 34 HE1 TYR 34 24.636 16.119 9.641 940 HE2 TYR 34 HE2 TYR 34 20.514 17.260 9.242 941 HH TYR 34 HH TYR 34 21.621 15.802 7.855 942 H ARG 35 HN ARG 35 20.836 20.701 13.728 943 HA ARG 35 HA ARG 35 19.783 21.237 11.151 944 1HB ARG 35 HB2 ARG 35 18.382 20.759 13.147 945 2HB ARG 35 HB1 ARG 35 18.853 22.319 13.821 946 1HG ARG 35 HG2 ARG 35 17.866 23.470 11.868 947 2HG ARG 35 HG1 ARG 35 17.414 21.911 11.180 948 1HD ARG 35 HD2 ARG 35 15.986 21.457 13.118 949 2HD ARG 35 HD1 ARG 35 16.471 22.987 13.848 950 HE ARG 35 HE ARG 35 15.354 23.316 11.209 951 1HH1 ARG 35 HH21 ARG 35 14.671 22.883 14.574 952 2HH1 ARG 35 HH22 ARG 35 13.120 23.651 14.499 953 1HH2 ARG 35 HH11 ARG 35 13.323 24.326 11.105 954 2HH2 ARG 35 HH12 ARG 35 12.357 24.468 12.535 955 H SER 36 HN SER 36 21.479 23.194 13.531 956 HA SER 36 HA SER 36 20.905 25.735 12.448 957 1HB SER 36 HB2 SER 36 23.421 24.881 13.892 958 2HB SER 36 HB1 SER 36 22.825 26.523 13.705 959 HG SER 36 HG SER 36 21.920 26.034 15.563 960 H VAL 37 HN VAL 37 23.569 23.470 11.836 961 HA VAL 37 HA VAL 37 24.897 25.147 9.943 962 HB VAL 37 HB VAL 37 25.033 22.148 10.356 963 1HG1 VAL 37 HG11 VAL 37 25.865 22.683 8.133 964 2HG1 VAL 37 HG12 VAL 37 27.239 22.372 9.177 965 3HG1 VAL 37 HG13 VAL 37 26.808 24.032 8.764 966 1HG2 VAL 37 HG21 VAL 37 26.682 24.475 11.392 967 2HG2 VAL 37 HG22 VAL 37 27.199 22.795 11.499 968 3HG2 VAL 37 HG23 VAL 37 25.740 23.322 12.339 969 H VAL 38 HN VAL 38 22.628 22.431 9.635 970 HA VAL 38 HA VAL 38 22.600 22.119 6.876 971 HB VAL 38 HB VAL 38 20.319 21.922 8.855 972 1HG1 VAL 38 HG11 VAL 38 19.281 20.425 7.042 973 2HG1 VAL 38 HG12 VAL 38 20.441 21.142 5.924 974 3HG1 VAL 38 HG13 VAL 38 19.244 22.159 6.725 975 1HG2 VAL 38 HG21 VAL 38 20.885 19.669 9.088 976 2HG2 VAL 38 HG22 VAL 38 22.486 20.366 8.874 977 3HG2 VAL 38 HG23 VAL 38 21.685 19.581 7.532 978 H SER 39 HN SER 39 20.633 24.368 8.824 979 HA SER 39 HA SER 39 19.185 25.519 6.739 980 1HB SER 39 HB2 SER 39 18.930 27.458 8.248 981 2HB SER 39 HB1 SER 39 18.679 25.934 9.095 982 HG SER 39 HG SER 39 20.073 27.043 10.355 983 H THR 40 HN THR 40 22.376 26.375 8.048 984 HA THR 40 HA THR 40 22.782 28.652 6.420 985 HB THR 40 HB THR 40 24.816 26.784 7.663 986 HG1 THR 40 HG1 THR 40 24.608 29.127 8.859 987 1HG2 THR 40 HG21 THR 40 26.260 28.875 7.520 988 2HG2 THR 40 HG22 THR 40 25.040 29.549 6.437 989 3HG2 THR 40 HG23 THR 40 25.922 28.091 5.977 990 H LEU 41 HN LEU 41 23.678 25.239 6.016 991 HA LEU 41 HA LEU 41 25.129 25.533 3.618 992 1HB LEU 41 HB2 LEU 41 23.522 23.216 4.704 993 2HB LEU 41 HB1 LEU 41 24.559 23.090 3.286 994 HG LEU 41 HG LEU 41 25.515 23.995 6.021 995 1HD1 LEU 41 HD11 LEU 41 26.583 21.693 6.086 996 2HD1 LEU 41 HD12 LEU 41 25.575 21.263 4.705 997 3HD1 LEU 41 HD13 LEU 41 24.831 21.704 6.234 998 1HD2 LEU 41 HD21 LEU 41 27.777 23.220 4.875 999 2HD2 LEU 41 HD22 LEU 41 27.130 24.807 4.514 1000 3HD2 LEU 41 HD23 LEU 41 26.895 23.484 3.373 1001 H VAL 42 HN VAL 42 21.689 24.781 4.149 1002 HA VAL 42 HA VAL 42 21.020 24.666 1.384 1003 HB VAL 42 HB VAL 42 19.288 25.175 3.817 1004 1HG1 VAL 42 HG11 VAL 42 18.080 25.977 1.891 1005 2HG1 VAL 42 HG12 VAL 42 17.448 24.373 2.248 1006 3HG1 VAL 42 HG13 VAL 42 18.588 24.595 0.920 1007 1HG2 VAL 42 HG21 VAL 42 20.417 23.007 3.857 1008 2HG2 VAL 42 HG22 VAL 42 19.931 22.685 2.194 1009 3HG2 VAL 42 HG23 VAL 42 18.713 22.762 3.474 1010 H GLN 43 HN GLN 43 20.937 27.252 3.800 1011 HA GLN 43 HA GLN 43 19.732 29.187 2.053 1012 1HB GLN 43 HB2 GLN 43 21.175 29.395 4.700 1013 2HB GLN 43 HB1 GLN 43 20.547 30.809 3.855 1014 1HG GLN 43 HG2 GLN 43 18.295 29.931 3.921 1015 2HG GLN 43 HG1 GLN 43 18.854 28.403 4.590 1016 1HE2 GLN 43 HE21 GLN 43 17.014 30.588 5.732 1017 2HE2 GLN 43 HE22 GLN 43 17.688 30.943 7.249 1018 H ASP 44 HN ASP 44 22.995 28.216 2.830 1019 HA ASP 44 HA ASP 44 24.700 30.139 2.175 1020 1HB ASP 44 HB2 ASP 44 25.339 27.746 2.397 1021 2HB ASP 44 HB1 ASP 44 24.778 27.460 0.754 1022 H GLN 45 HN GLN 45 23.975 28.189 -0.679 1023 HA GLN 45 HA GLN 45 22.827 30.398 -2.165 1024 1HB GLN 45 HB2 GLN 45 24.675 30.534 -3.815 1025 2HB GLN 45 HB1 GLN 45 25.164 31.081 -2.211 1026 1HG GLN 45 HG2 GLN 45 26.198 28.909 -1.749 1027 2HG GLN 45 HG1 GLN 45 25.667 28.284 -3.305 1028 1HE2 GLN 45 HE21 GLN 45 28.489 28.731 -2.298 1029 2HE2 GLN 45 HE22 GLN 45 29.205 29.758 -3.444 1030 H LEU 46 HN LEU 46 22.933 27.309 -1.477 1031 HA LEU 46 HA LEU 46 22.803 25.294 -2.676 1032 1HB LEU 46 HB2 LEU 46 20.474 26.621 -2.262 1033 2HB LEU 46 HB1 LEU 46 20.393 26.491 -4.012 1034 HG LEU 46 HG LEU 46 20.829 24.157 -2.115 1035 1HD1 LEU 46 HD11 LEU 46 18.360 24.974 -3.680 1036 2HD1 LEU 46 HD12 LEU 46 18.564 25.168 -1.938 1037 3HD1 LEU 46 HD13 LEU 46 18.511 23.553 -2.646 1038 1HD2 LEU 46 HD21 LEU 46 21.808 23.735 -4.308 1039 2HD2 LEU 46 HD22 LEU 46 20.341 24.304 -5.108 1040 3HD2 LEU 46 HD23 LEU 46 20.312 22.815 -4.169 1041 H THR 47 HN THR 47 24.668 26.794 -4.024 1042 HA THR 47 HA THR 47 24.132 27.321 -6.715 1043 HB THR 47 HB THR 47 26.132 28.178 -5.641 1044 HG1 THR 47 HG1 THR 47 26.060 27.448 -7.950 1045 1HG2 THR 47 HG21 THR 47 27.952 26.707 -4.967 1046 2HG2 THR 47 HG22 THR 47 27.050 25.297 -5.522 1047 3HG2 THR 47 HG23 THR 47 26.479 26.214 -4.134 1048 H LYS 48 HN LYS 48 24.942 24.385 -5.033 1049 HA LYS 48 HA LYS 48 24.162 22.819 -7.353 1050 1HB LYS 48 HB2 LYS 48 26.626 23.314 -7.620 1051 2HB LYS 48 HB1 LYS 48 26.891 22.434 -6.125 1052 1HG LYS 48 HG2 LYS 48 27.222 20.727 -7.685 1053 2HG LYS 48 HG1 LYS 48 25.516 20.511 -7.343 1054 1HD LYS 48 HD2 LYS 48 24.998 21.966 -9.344 1055 2HD LYS 48 HD1 LYS 48 26.720 21.986 -9.703 1056 1HE LYS 48 HE2 LYS 48 25.056 19.467 -9.456 1057 2HE LYS 48 HE1 LYS 48 25.484 20.238 -10.984 1058 1HZ LYS 48 HZ1 LYS 48 27.592 19.533 -10.853 1059 2HZ LYS 48 HZ2 LYS 48 26.965 18.364 -9.792 1060 3HZ LYS 48 HZ3 LYS 48 27.694 19.770 -9.178 1061 H ASN 49 HN ASN 49 23.011 21.150 -6.684 1062 HA ASN 49 HA ASN 49 22.322 20.579 -4.095 1063 1HB ASN 49 HB2 ASN 49 22.594 18.523 -6.285 1064 2HB ASN 49 HB1 ASN 49 21.543 18.430 -4.872 1065 1HD2 ASN 49 HD21 ASN 49 19.633 19.854 -4.833 1066 2HD2 ASN 49 HD22 ASN 49 19.086 20.606 -6.252 1067 H ALA 50 HN ALA 50 25.145 19.463 -5.897 1068 HA ALA 50 HA ALA 50 25.986 17.479 -4.051 1069 1HB ALA 50 HB1 ALA 50 27.716 19.063 -5.946 1070 2HB ALA 50 HB2 ALA 50 26.789 17.635 -6.406 1071 3HB ALA 50 HB3 ALA 50 28.089 17.499 -5.222 1072 H VAL 51 HN VAL 51 27.026 20.855 -4.559 1073 HA VAL 51 HA VAL 51 28.965 21.044 -2.567 1074 HB VAL 51 HB VAL 51 26.979 23.056 -3.627 1075 1HG1 VAL 51 HG11 VAL 51 28.532 24.797 -2.512 1076 2HG1 VAL 51 HG12 VAL 51 29.100 23.469 -1.497 1077 3HG1 VAL 51 HG13 VAL 51 27.403 23.950 -1.454 1078 1HG2 VAL 51 HG21 VAL 51 28.934 22.126 -5.018 1079 2HG2 VAL 51 HG22 VAL 51 29.998 22.988 -3.913 1080 3HG2 VAL 51 HG23 VAL 51 28.834 23.880 -4.890 1081 H VAL 52 HN VAL 52 25.449 21.525 -2.231 1082 HA VAL 52 HA VAL 52 25.641 21.948 0.609 1083 HB VAL 52 HB VAL 52 23.139 21.841 0.542 1084 1HG1 VAL 52 HG11 VAL 52 22.865 23.871 -0.757 1085 2HG1 VAL 52 HG12 VAL 52 24.333 23.538 -1.676 1086 3HG1 VAL 52 HG13 VAL 52 24.438 23.938 0.037 1087 1HG2 VAL 52 HG21 VAL 52 23.684 21.223 -2.375 1088 2HG2 VAL 52 HG22 VAL 52 22.111 21.717 -1.762 1089 3HG2 VAL 52 HG23 VAL 52 22.826 20.198 -1.233 1090 H LEU 53 HN LEU 53 24.773 19.251 -1.484 1091 HA LEU 53 HA LEU 53 23.910 17.509 0.589 1092 1HB LEU 53 HB2 LEU 53 23.326 17.095 -1.747 1093 2HB LEU 53 HB1 LEU 53 25.017 16.856 -2.135 1094 HG LEU 53 HG LEU 53 25.095 14.881 -0.659 1095 1HD1 LEU 53 HD11 LEU 53 22.253 15.725 -0.082 1096 2HD1 LEU 53 HD12 LEU 53 23.521 15.241 1.046 1097 3HD1 LEU 53 HD13 LEU 53 22.721 14.030 0.058 1098 1HD2 LEU 53 HD21 LEU 53 22.872 14.903 -2.723 1099 2HD2 LEU 53 HD22 LEU 53 23.582 13.439 -2.043 1100 3HD2 LEU 53 HD23 LEU 53 24.574 14.535 -3.004 1101 H LYS 54 HN LYS 54 27.037 18.037 -0.964 1102 HA LYS 54 HA LYS 54 28.456 15.900 0.146 1103 1HB LYS 54 HB2 LYS 54 29.283 18.675 -0.713 1104 2HB LYS 54 HB1 LYS 54 30.462 17.481 -0.168 1105 1HG LYS 54 HG2 LYS 54 30.049 16.038 -1.996 1106 2HG LYS 54 HG1 LYS 54 28.494 16.765 -2.358 1107 1HD LYS 54 HD2 LYS 54 30.172 17.464 -4.017 1108 2HD LYS 54 HD1 LYS 54 29.613 18.846 -3.071 1109 1HE LYS 54 HE2 LYS 54 32.143 18.691 -3.417 1110 2HE LYS 54 HE1 LYS 54 31.610 18.867 -1.748 1111 1HZ LYS 54 HZ1 LYS 54 33.334 17.078 -2.289 1112 2HZ LYS 54 HZ2 LYS 54 32.031 16.196 -2.932 1113 3HZ LYS 54 HZ3 LYS 54 32.030 16.649 -1.293 1114 H ARG 55 HN ARG 55 27.935 19.189 1.367 1115 HA ARG 55 HA ARG 55 29.469 18.888 3.716 1116 1HB ARG 55 HB2 ARG 55 27.177 20.730 3.023 1117 2HB ARG 55 HB1 ARG 55 28.148 20.889 4.484 1118 1HG ARG 55 HG2 ARG 55 29.439 20.854 1.741 1119 2HG ARG 55 HG1 ARG 55 28.798 22.342 2.425 1120 1HD ARG 55 HD2 ARG 55 30.261 22.079 4.392 1121 2HD ARG 55 HD1 ARG 55 30.929 20.600 3.719 1122 HE ARG 55 HE ARG 55 31.514 23.314 2.863 1123 1HH1 ARG 55 HH21 ARG 55 31.520 19.946 2.074 1124 2HH1 ARG 55 HH22 ARG 55 32.782 20.085 0.895 1125 1HH2 ARG 55 HH11 ARG 55 33.171 23.503 1.327 1126 2HH2 ARG 55 HH12 ARG 55 33.716 22.099 0.472 1127 H ILE 56 HN ILE 56 26.127 18.188 2.908 1128 HA ILE 56 HA ILE 56 25.265 17.734 5.590 1129 HB ILE 56 HB ILE 56 24.176 16.832 2.912 1130 1HG1 ILE 56 HG12 ILE 56 24.187 19.343 3.737 1131 2HG1 ILE 56 HG11 ILE 56 22.718 18.682 3.035 1132 1HG2 ILE 56 HG21 ILE 56 23.334 15.187 4.402 1133 2HG2 ILE 56 HG22 ILE 56 22.041 16.380 4.310 1134 3HG2 ILE 56 HG23 ILE 56 23.115 16.351 5.710 1135 1HD1 ILE 56 HD11 ILE 56 23.180 18.571 6.009 1136 2HD1 ILE 56 HD12 ILE 56 21.666 18.501 5.121 1137 3HD1 ILE 56 HD13 ILE 56 22.543 20.023 5.240 1138 H GLN 57 HN GLN 57 26.305 15.551 2.982 1139 HA GLN 57 HA GLN 57 26.006 13.146 4.393 1140 1HB GLN 57 HB2 GLN 57 27.927 13.918 2.180 1141 2HB GLN 57 HB1 GLN 57 27.696 12.266 2.754 1142 1HG GLN 57 HG2 GLN 57 25.323 12.363 2.167 1143 2HG GLN 57 HG1 GLN 57 25.500 14.037 1.660 1144 1HE2 GLN 57 HE21 GLN 57 25.535 10.854 0.512 1145 2HE2 GLN 57 HE22 GLN 57 26.335 11.131 -0.959 1146 H HIS 58 HN HIS 58 28.767 15.365 4.125 1147 HA HIS 58 HA HIS 58 30.525 13.771 5.710 1148 1HB HIS 58 HB2 HIS 58 30.566 16.715 4.993 1149 2HB HIS 58 HB1 HIS 58 31.871 15.888 5.847 1150 HD1 HIS 58 HD1 HIS 58 32.152 13.303 4.370 1151 HD2 HIS 58 HD2 HIS 58 31.468 16.900 2.377 1152 HE1 HIS 58 HE1 HIS 58 32.954 12.967 1.991 1153 HE2 HIS 58 HE2 HIS 58 32.538 15.150 0.761 1154 H LEU 59 HN LEU 59 28.468 16.588 6.402 1155 HA LEU 59 HA LEU 59 29.193 17.055 9.032 1156 1HB LEU 59 HB2 LEU 59 27.588 18.457 7.747 1157 2HB LEU 59 HB1 LEU 59 26.379 17.190 7.915 1158 HG LEU 59 HG LEU 59 26.516 17.429 10.391 1159 1HD1 LEU 59 HD11 LEU 59 28.649 19.424 9.668 1160 2HD1 LEU 59 HD12 LEU 59 28.607 18.249 10.983 1161 3HD1 LEU 59 HD13 LEU 59 27.660 19.723 11.098 1162 1HD2 LEU 59 HD21 LEU 59 24.891 18.741 8.952 1163 2HD2 LEU 59 HD22 LEU 59 26.000 20.104 9.071 1164 3HD2 LEU 59 HD23 LEU 59 25.239 19.456 10.524 1165 H ASP 60 HN ASP 60 27.281 14.453 7.709 1166 HA ASP 60 HA ASP 60 25.946 13.550 9.986 1167 1HB ASP 60 HB2 ASP 60 25.598 12.610 7.726 1168 2HB ASP 60 HB1 ASP 60 27.183 11.851 7.810 1169 H GLU 61 HN GLU 61 29.317 13.316 9.103 1170 HA GLU 61 HA GLU 61 30.125 11.237 10.806 1171 1HB GLU 61 HB2 GLU 61 32.339 12.003 10.451 1172 2HB GLU 61 HB1 GLU 61 31.462 12.452 8.987 1173 1HG GLU 61 HG2 GLU 61 31.071 14.745 10.197 1174 2HG GLU 61 HG1 GLU 61 32.368 14.233 11.267 1175 H ALA 62 HN ALA 62 29.537 14.655 11.422 1176 HA ALA 62 HA ALA 62 30.639 14.668 14.059 1177 1HB ALA 62 HB1 ALA 62 28.607 16.546 12.842 1178 2HB ALA 62 HB2 ALA 62 30.354 16.705 12.652 1179 3HB ALA 62 HB3 ALA 62 29.622 16.857 14.246 1180 H TYR 63 HN TYR 63 27.315 14.547 12.795 1181 HA TYR 63 HA TYR 63 25.976 14.441 15.230 1182 1HB TYR 63 HB2 TYR 63 24.338 14.584 13.624 1183 2HB TYR 63 HB1 TYR 63 25.369 13.839 12.410 1184 HD1 TYR 63 HD1 TYR 63 25.497 11.366 12.206 1185 HD2 TYR 63 HD2 TYR 63 22.753 13.244 14.909 1186 HE1 TYR 63 HE1 TYR 63 24.285 9.227 12.443 1187 HE2 TYR 63 HE2 TYR 63 21.533 11.102 15.158 1188 HH TYR 63 HH TYR 63 21.251 9.016 14.208 1189 H ASN 64 HN ASN 64 27.434 11.840 13.304 1190 HA ASN 64 HA ASN 64 26.516 9.696 14.940 1191 1HB ASN 64 HB2 ASN 64 27.224 9.372 12.610 1192 2HB ASN 64 HB1 ASN 64 28.876 9.803 13.050 1193 1HD2 ASN 64 HD21 ASN 64 29.659 7.631 12.478 1194 2HD2 ASN 64 HD22 ASN 64 29.314 6.293 13.462 1195 H LYS 65 HN LYS 65 29.402 11.696 14.919 1196 HA LYS 65 HA LYS 65 30.947 10.207 16.734 1197 1HB LYS 65 HB2 LYS 65 30.856 13.118 15.966 1198 2HB LYS 65 HB1 LYS 65 31.955 12.577 17.224 1199 1HG LYS 65 HG2 LYS 65 31.936 11.068 14.605 1200 2HG LYS 65 HG1 LYS 65 32.726 12.641 14.654 1201 1HD LYS 65 HD2 LYS 65 34.165 11.912 16.477 1202 2HD LYS 65 HD1 LYS 65 33.322 10.368 16.571 1203 1HE LYS 65 HE2 LYS 65 35.380 10.075 15.301 1204 2HE LYS 65 HE1 LYS 65 34.002 9.903 14.212 1205 1HZ LYS 65 HZ1 LYS 65 34.505 11.790 13.133 1206 2HZ LYS 65 HZ2 LYS 65 36.067 11.518 13.745 1207 3HZ LYS 65 HZ3 LYS 65 35.018 12.597 14.533 1208 H VAL 66 HN VAL 66 28.502 12.728 17.264 1209 HA VAL 66 HA VAL 66 28.872 12.875 20.074 1210 HB VAL 66 HB VAL 66 26.461 13.600 18.376 1211 1HG1 VAL 66 HG11 VAL 66 27.151 14.130 21.279 1212 2HG1 VAL 66 HG12 VAL 66 25.695 13.375 20.627 1213 3HG1 VAL 66 HG13 VAL 66 25.975 15.098 20.390 1214 1HG2 VAL 66 HG21 VAL 66 28.860 15.162 19.391 1215 2HG2 VAL 66 HG22 VAL 66 27.401 15.926 18.764 1216 3HG2 VAL 66 HG23 VAL 66 28.377 14.897 17.715 1217 H LYS 67 HN LYS 67 26.550 11.141 18.045 1218 HA LYS 67 HA LYS 67 25.087 9.935 20.123 1219 1HB LYS 67 HB2 LYS 67 25.642 8.942 17.333 1220 2HB LYS 67 HB1 LYS 67 24.328 8.410 18.385 1221 1HG LYS 67 HG2 LYS 67 24.364 11.347 18.194 1222 2HG LYS 67 HG1 LYS 67 24.254 10.623 16.616 1223 1HD LYS 67 HD2 LYS 67 22.429 10.011 18.951 1224 2HD LYS 67 HD1 LYS 67 22.031 11.099 17.632 1225 1HE LYS 67 HE2 LYS 67 21.111 9.257 16.611 1226 2HE LYS 67 HE1 LYS 67 22.761 8.713 16.316 1227 1HZ LYS 67 HZ1 LYS 67 20.817 7.583 17.982 1228 2HZ LYS 67 HZ2 LYS 67 22.095 8.115 18.966 1229 3HZ LYS 67 HZ3 LYS 67 22.396 7.036 17.689 1230 H ARG 68 HN ARG 68 27.834 8.814 18.211 1231 HA ARG 68 HA ARG 68 28.013 6.235 19.308 1232 1HB ARG 68 HB2 ARG 68 29.100 6.978 17.189 1233 2HB ARG 68 HB1 ARG 68 30.232 7.933 18.146 1234 1HG ARG 68 HG2 ARG 68 31.100 5.965 19.226 1235 2HG ARG 68 HG1 ARG 68 29.853 4.953 18.505 1236 1HD ARG 68 HD2 ARG 68 31.845 6.510 16.850 1237 2HD ARG 68 HD1 ARG 68 32.126 4.850 17.370 1238 HE ARG 68 HE ARG 68 29.630 4.876 16.152 1239 1HH1 ARG 68 HH21 ARG 68 32.919 5.580 15.342 1240 2HH1 ARG 68 HH22 ARG 68 32.743 5.154 13.672 1241 1HH2 ARG 68 HH11 ARG 68 29.389 4.324 13.964 1242 2HH2 ARG 68 HH12 ARG 68 30.745 4.443 12.893 1243 H GLY 69 HN GLY 69 28.886 9.334 20.501 1244 1HA GLY 69 HA2 GLY 69 30.632 8.212 22.609 1245 2HA GLY 69 HA1 GLY 69 30.467 9.908 22.174 1246 H GLU 70 HN GLU 70 27.457 9.445 22.031 1247 HA GLU 70 HA GLU 70 26.931 9.893 24.909 1248 1HB GLU 70 HB2 GLU 70 25.408 10.582 22.389 1249 2HB GLU 70 HB1 GLU 70 24.763 10.835 24.007 1250 1HG GLU 70 HG2 GLU 70 27.454 11.951 23.155 1251 2HG GLU 70 HG1 GLU 70 25.957 12.837 22.918 1252 H SER 71 HN SER 71 26.760 7.457 22.632 1253 HA SER 71 HA SER 71 24.355 6.191 22.824 1254 1HB SER 71 HB2 SER 71 25.542 4.085 22.549 1255 2HB SER 71 HB1 SER 71 26.346 5.327 21.594 1256 HG SER 71 HG SER 71 27.565 3.831 23.177 1257 H LYS 72 HN LYS 72 23.555 4.471 24.204 1258 HA LYS 72 HA LYS 72 23.465 5.198 26.907 1259 1HB LYS 72 HB2 LYS 72 22.846 2.541 25.589 1260 2HB LYS 72 HB1 LYS 72 22.387 2.978 27.236 1261 1HG LYS 72 HG2 LYS 72 21.090 4.889 26.378 1262 2HG LYS 72 HG1 LYS 72 21.559 4.471 24.729 1263 1HD LYS 72 HD2 LYS 72 20.441 2.278 24.965 1264 2HD LYS 72 HD1 LYS 72 19.970 2.695 26.613 1265 1HE LYS 72 HE2 LYS 72 18.658 4.598 25.774 1266 2HE LYS 72 HE1 LYS 72 19.151 4.223 24.123 1267 1HZ LYS 72 HZ1 LYS 72 17.761 2.257 25.844 1268 2HZ LYS 72 HZ2 LYS 72 17.971 2.214 24.159 1269 3HZ LYS 72 HZ3 LYS 72 16.917 3.348 24.857 1270 H LEU 73 HN LEU 73 25.136 2.433 25.385 1271 HA LEU 73 HA LEU 73 26.551 1.769 27.816 1272 1HB LEU 73 HB2 LEU 73 26.581 0.782 24.972 1273 2HB LEU 73 HB1 LEU 73 27.838 0.253 26.086 1274 HG LEU 73 HG LEU 73 24.939 0.040 26.945 1275 1HD1 LEU 73 HD11 LEU 73 24.899 -2.271 25.991 1276 2HD1 LEU 73 HD12 LEU 73 26.406 -1.916 25.147 1277 3HD1 LEU 73 HD13 LEU 73 24.941 -1.019 24.749 1278 1HD2 LEU 73 HD21 LEU 73 27.349 -1.744 27.455 1279 2HD2 LEU 73 HD22 LEU 73 25.792 -1.808 28.280 1280 3HD2 LEU 73 HD23 LEU 73 26.862 -0.432 28.524 1281 H GLU 74 HN GLU 74 28.512 2.362 28.446 1282 HA GLU 74 HA GLU 74 30.347 3.709 26.593 1283 1HB GLU 74 HB2 GLU 74 29.368 4.881 29.214 1284 2HB GLU 74 HB1 GLU 74 30.706 5.517 28.258 1285 1HG GLU 74 HG2 GLU 74 29.122 5.807 26.329 1286 2HG GLU 74 HG1 GLU 74 27.809 5.296 27.382 1287 H HIS 75 HN HIS 75 32.466 3.740 27.309 1288 HA HIS 75 HA HIS 75 33.178 2.225 29.733 1289 1HB HIS 75 HB2 HIS 75 34.077 1.445 26.947 1290 2HB HIS 75 HB1 HIS 75 34.716 0.772 28.447 1291 HD1 HIS 75 HD1 HIS 75 32.693 -0.235 30.088 1292 HD2 HIS 75 HD2 HIS 75 31.924 -0.001 25.998 1293 HE1 HIS 75 HE1 HIS 75 30.744 -1.786 29.637 1294 HE2 HIS 75 HE2 HIS 75 30.262 -1.655 27.146 1295 H HIS 76 HN HIS 76 34.817 3.171 30.733 1296 HA HIS 76 HA HIS 76 37.093 4.245 29.394 1297 1HB HIS 76 HB2 HIS 76 35.462 6.054 28.889 1298 2HB HIS 76 HB1 HIS 76 35.206 6.281 30.619 1299 HD1 HIS 76 HD1 HIS 76 38.168 6.194 28.208 1300 HD2 HIS 76 HD2 HIS 76 36.945 8.155 31.677 1301 HE1 HIS 76 HE1 HIS 76 39.971 7.891 28.745 1302 HE2 HIS 76 HE2 HIS 76 39.239 9.095 30.857 1303 H HIS 77 HN HIS 77 36.494 6.281 31.936 1304 HA HIS 77 HA HIS 77 37.167 4.503 34.125 1305 1HB HIS 77 HB2 HIS 77 39.362 4.793 32.990 1306 2HB HIS 77 HB1 HIS 77 39.215 6.537 33.204 1307 HD1 HIS 77 HD1 HIS 77 39.412 3.349 35.263 1308 HD2 HIS 77 HD2 HIS 77 39.969 7.454 35.728 1309 HE1 HIS 77 HE1 HIS 77 40.366 3.684 37.585 1310 HE2 HIS 77 HE2 HIS 77 40.711 6.182 37.884 1311 H HIS 78 HN HIS 78 35.601 7.065 32.966 1312 HA HIS 78 HA HIS 78 34.614 8.940 33.856 1313 1HB HIS 78 HB2 HIS 78 34.977 7.322 36.388 1314 2HB HIS 78 HB1 HIS 78 33.927 8.730 36.228 1315 HD1 HIS 78 HD1 HIS 78 32.058 8.479 34.215 1316 HD2 HIS 78 HD2 HIS 78 33.728 4.954 35.688 1317 HE1 HIS 78 HE1 HIS 78 30.511 6.604 33.507 1318 HE2 HIS 78 HE2 HIS 78 31.515 4.448 34.398 1319 H HIS 79 HN HIS 79 34.874 10.428 36.058 1320 HA HIS 79 HA HIS 79 37.655 10.851 36.776 1321 1HB HIS 79 HB2 HIS 79 37.497 11.941 34.545 1322 2HB HIS 79 HB1 HIS 79 36.201 12.966 35.163 1323 HD1 HIS 79 HD1 HIS 79 39.763 12.050 36.219 1324 HD2 HIS 79 HD2 HIS 79 37.185 15.326 36.187 1325 HE1 HIS 79 HE1 HIS 79 41.077 14.006 37.148 1326 HE2 HIS 79 HE2 HIS 79 39.519 16.011 37.135 1327 H HIS 80 HN HIS 80 37.851 11.933 38.668 1328 HA HIS 80 HA HIS 80 35.916 13.747 39.701 1329 1HB HIS 80 HB2 HIS 80 35.109 12.331 41.577 1330 2HB HIS 80 HB1 HIS 80 34.567 11.742 40.006 1331 HD1 HIS 80 HD1 HIS 80 36.499 10.762 42.980 1332 HD2 HIS 80 HD2 HIS 80 36.135 9.441 39.043 1333 HE1 HIS 80 HE1 HIS 80 37.518 8.445 42.905 1334 HE2 HIS 80 HE2 HIS 80 37.304 7.626 40.510 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -4.178 2.355 -2.393 2 2H MET 1 HT2 MET 1 -5.545 2.221 -1.394 3 3H MET 1 HT3 MET 1 -4.396 3.440 -1.108 4 HA MET 1 HA MET 1 -6.131 3.227 -3.509 5 1HB MET 1 HB2 MET 1 -6.185 5.075 -1.106 6 2HB MET 1 HB1 MET 1 -7.154 5.308 -2.560 7 1HG MET 1 HG2 MET 1 -8.146 3.038 -2.209 8 2HG MET 1 HG1 MET 1 -7.264 2.925 -0.687 9 1HE MET 1 HE1 MET 1 -8.024 3.725 1.462 10 2HE MET 1 HE2 MET 1 -8.925 5.214 1.737 11 3HE MET 1 HE3 MET 1 -7.347 5.279 0.961 12 H SER 2 HN SER 2 -4.594 5.890 -1.736 13 HA SER 2 HA SER 2 -3.759 7.258 -4.052 14 1HB SER 2 HB2 SER 2 -2.713 7.447 -1.218 15 2HB SER 2 HB1 SER 2 -2.382 8.609 -2.498 16 HG SER 2 HG SER 2 -4.273 8.910 -0.950 17 H GLU 3 HN GLU 3 -2.083 4.994 -1.911 18 HA GLU 3 HA GLU 3 -0.098 3.867 -2.105 19 1HB GLU 3 HB2 GLU 3 -1.287 3.091 -4.197 20 2HB GLU 3 HB1 GLU 3 -0.411 4.339 -5.083 21 1HG GLU 3 HG2 GLU 3 0.854 2.303 -5.316 22 2HG GLU 3 HG1 GLU 3 1.743 3.321 -4.189 23 H LEU 4 HN LEU 4 0.767 5.904 -1.090 24 HA LEU 4 HA LEU 4 2.319 7.583 -0.941 25 1HB LEU 4 HB2 LEU 4 3.606 5.760 -2.985 26 2HB LEU 4 HB1 LEU 4 4.433 7.127 -2.243 27 HG LEU 4 HG LEU 4 4.058 6.163 -0.012 28 1HD1 LEU 4 HD11 LEU 4 2.621 4.036 -1.604 29 2HD1 LEU 4 HD12 LEU 4 2.130 4.827 -0.104 30 3HD1 LEU 4 HD13 LEU 4 3.404 3.616 -0.079 31 1HD2 LEU 4 HD21 LEU 4 5.378 4.288 -2.010 32 2HD2 LEU 4 HD22 LEU 4 5.693 4.316 -0.275 33 3HD2 LEU 4 HD23 LEU 4 6.128 5.703 -1.270 34 H PHE 5 HN PHE 5 3.916 7.811 -3.747 35 HA PHE 5 HA PHE 5 3.938 9.333 -5.465 36 1HB PHE 5 HB2 PHE 5 1.967 7.926 -6.173 37 2HB PHE 5 HB1 PHE 5 0.915 9.095 -5.382 38 HD1 PHE 5 HD1 PHE 5 3.393 8.621 -8.092 39 HD2 PHE 5 HD2 PHE 5 0.454 11.250 -6.390 40 HE1 PHE 5 HE1 PHE 5 3.502 10.051 -10.116 41 HE2 PHE 5 HE2 PHE 5 0.563 12.681 -8.413 42 HZ PHE 5 HZ PHE 5 2.085 12.081 -10.275 43 H SER 6 HN SER 6 0.917 10.218 -3.795 44 HA SER 6 HA SER 6 1.372 12.991 -3.972 45 1HB SER 6 HB2 SER 6 -0.774 11.434 -3.352 46 2HB SER 6 HB1 SER 6 -0.350 12.011 -1.745 47 HG SER 6 HG SER 6 -0.138 14.095 -3.261 48 H VAL 7 HN VAL 7 2.523 14.356 -2.762 49 HA VAL 7 HA VAL 7 4.317 13.376 -0.775 50 HB VAL 7 HB VAL 7 3.662 16.314 -0.978 51 1HG1 VAL 7 HG11 VAL 7 5.447 15.484 0.542 52 2HG1 VAL 7 HG12 VAL 7 6.056 16.570 -0.705 53 3HG1 VAL 7 HG13 VAL 7 6.305 14.833 -0.856 54 1HG2 VAL 7 HG21 VAL 7 5.201 16.413 -2.997 55 2HG2 VAL 7 HG22 VAL 7 3.611 15.723 -3.310 56 3HG2 VAL 7 HG23 VAL 7 5.010 14.664 -3.137 57 HA PRO 8 HA PRO 8 1.102 15.759 2.131 58 1HB PRO 8 HB2 PRO 8 -1.319 14.611 0.749 59 2HB PRO 8 HB1 PRO 8 -1.137 16.173 1.580 60 1HG PRO 8 HG2 PRO 8 -1.167 16.091 -1.055 61 2HG PRO 8 HG1 PRO 8 0.011 17.130 -0.222 62 1HD PRO 8 HD2 PRO 8 0.462 14.436 -1.486 63 2HD PRO 8 HD1 PRO 8 1.503 15.863 -1.557 64 H TYR 9 HN TYR 9 0.878 12.594 0.646 65 HA TYR 9 HA TYR 9 -0.449 11.194 2.689 66 1HB TYR 9 HB2 TYR 9 -0.018 10.249 0.445 67 2HB TYR 9 HB1 TYR 9 1.707 10.192 0.806 68 HD1 TYR 9 HD1 TYR 9 -1.624 8.891 1.809 69 HD2 TYR 9 HD2 TYR 9 2.630 8.427 2.176 70 HE1 TYR 9 HE1 TYR 9 -1.960 6.703 2.928 71 HE2 TYR 9 HE2 TYR 9 2.296 6.240 3.295 72 HH TYR 9 HH TYR 9 -0.399 5.285 4.686 73 H PHE 10 HN PHE 10 2.998 11.899 2.202 74 HA PHE 10 HA PHE 10 4.031 10.398 4.335 75 1HB PHE 10 HB2 PHE 10 4.962 12.601 2.601 76 2HB PHE 10 HB1 PHE 10 5.695 12.655 4.199 77 HD1 PHE 10 HD2 PHE 10 4.628 9.800 2.004 78 HD2 PHE 10 HD1 PHE 10 7.873 11.740 4.047 79 HE1 PHE 10 HE2 PHE 10 6.146 7.951 1.351 80 HE2 PHE 10 HE1 PHE 10 9.384 9.890 3.391 81 HZ PHE 10 HZ PHE 10 8.529 7.998 2.054 82 H ILE 11 HN ILE 11 2.691 13.681 4.273 83 HA ILE 11 HA ILE 11 3.331 14.303 6.972 84 HB ILE 11 HB ILE 11 1.098 15.442 5.277 85 1HG1 ILE 11 HG12 ILE 11 3.969 16.406 5.592 86 2HG1 ILE 11 HG11 ILE 11 3.375 15.525 4.186 87 1HG2 ILE 11 HG21 ILE 11 2.667 16.604 7.602 88 2HG2 ILE 11 HG22 ILE 11 1.029 15.975 7.724 89 3HG2 ILE 11 HG23 ILE 11 1.353 17.390 6.738 90 1HD1 ILE 11 HD11 ILE 11 3.294 17.881 3.680 91 2HD1 ILE 11 HD12 ILE 11 2.425 18.220 5.174 92 3HD1 ILE 11 HD13 ILE 11 1.639 17.315 3.881 93 H GLU 12 HN GLU 12 0.432 13.007 5.397 94 HA GLU 12 HA GLU 12 -1.341 12.980 7.536 95 1HB GLU 12 HB2 GLU 12 -0.966 10.992 5.285 96 2HB GLU 12 HB1 GLU 12 -2.317 10.914 6.413 97 1HG GLU 12 HG2 GLU 12 -1.668 13.380 4.774 98 2HG GLU 12 HG1 GLU 12 -2.805 12.143 4.248 99 H ASN 13 HN ASN 13 1.408 10.873 6.927 100 HA ASN 13 HA ASN 13 0.754 8.871 8.858 101 1HB ASN 13 HB2 ASN 13 3.399 9.690 7.633 102 2HB ASN 13 HB1 ASN 13 3.178 8.273 8.655 103 1HD2 ASN 13 HD21 ASN 13 3.529 8.938 5.499 104 2HD2 ASN 13 HD22 ASN 13 2.478 7.797 4.812 105 H LEU 14 HN LEU 14 2.383 11.971 8.987 106 HA LEU 14 HA LEU 14 3.512 11.652 11.605 107 1HB LEU 14 HB2 LEU 14 2.877 14.265 10.214 108 2HB LEU 14 HB1 LEU 14 4.144 13.945 11.400 109 HG LEU 14 HG LEU 14 4.011 12.747 8.617 110 1HD1 LEU 14 HD11 LEU 14 4.532 15.238 8.790 111 2HD1 LEU 14 HD12 LEU 14 5.745 14.240 7.991 112 3HD1 LEU 14 HD13 LEU 14 5.992 14.761 9.650 113 1HD2 LEU 14 HD21 LEU 14 6.405 12.110 9.193 114 2HD2 LEU 14 HD22 LEU 14 5.159 11.199 10.027 115 3HD2 LEU 14 HD23 LEU 14 6.017 12.494 10.866 116 H LYS 15 HN LYS 15 0.536 13.033 10.294 117 HA LYS 15 HA LYS 15 -0.407 14.325 12.567 118 1HB LYS 15 HB2 LYS 15 -1.871 12.964 10.301 119 2HB LYS 15 HB1 LYS 15 -2.710 13.855 11.572 120 1HG LYS 15 HG2 LYS 15 -1.373 15.873 11.026 121 2HG LYS 15 HG1 LYS 15 -0.583 14.981 9.724 122 1HD LYS 15 HD2 LYS 15 -2.692 14.684 8.566 123 2HD LYS 15 HD1 LYS 15 -3.583 15.386 9.916 124 1HE LYS 15 HE2 LYS 15 -3.324 17.074 8.181 125 2HE LYS 15 HE1 LYS 15 -2.334 17.523 9.568 126 1HZ LYS 15 HZ1 LYS 15 -0.893 15.845 7.798 127 2HZ LYS 15 HZ2 LYS 15 -0.514 17.409 8.342 128 3HZ LYS 15 HZ3 LYS 15 -1.493 17.198 6.969 129 H GLN 16 HN GLN 16 -0.436 10.927 11.690 130 HA GLN 16 HA GLN 16 -2.238 10.060 13.716 131 1HB GLN 16 HB2 GLN 16 -1.675 8.714 11.710 132 2HB GLN 16 HB1 GLN 16 -0.039 8.501 12.336 133 1HG GLN 16 HG2 GLN 16 -0.870 7.329 14.287 134 2HG GLN 16 HG1 GLN 16 -2.537 7.688 13.846 135 1HE2 GLN 16 HE21 GLN 16 -1.503 4.990 14.188 136 2HE2 GLN 16 HE22 GLN 16 -1.605 4.220 12.680 137 H HIS 17 HN HIS 17 1.224 10.648 13.617 138 HA HIS 17 HA HIS 17 1.884 9.317 16.033 139 1HB HIS 17 HB2 HIS 17 3.247 11.667 14.698 140 2HB HIS 17 HB1 HIS 17 3.937 10.682 15.979 141 HD1 HIS 17 HD1 HIS 17 5.483 10.647 13.423 142 HD2 HIS 17 HD2 HIS 17 2.319 8.016 14.098 143 HE1 HIS 17 HE1 HIS 17 5.844 8.675 11.877 144 HE2 HIS 17 HE2 HIS 17 3.926 7.062 12.278 145 H ILE 18 HN ILE 18 1.241 12.768 15.371 146 HA ILE 18 HA ILE 18 1.341 13.505 18.148 147 HB ILE 18 HB ILE 18 0.560 15.691 17.376 148 1HG1 ILE 18 HG12 ILE 18 0.029 14.198 14.796 149 2HG1 ILE 18 HG11 ILE 18 -1.156 15.035 15.785 150 1HG2 ILE 18 HG21 ILE 18 2.946 14.818 16.937 151 2HG2 ILE 18 HG22 ILE 18 2.435 16.208 15.992 152 3HG2 ILE 18 HG23 ILE 18 2.446 14.602 15.262 153 1HD1 ILE 18 HD11 ILE 18 0.246 17.165 15.337 154 2HD1 ILE 18 HD12 ILE 18 -0.740 16.538 14.014 155 3HD1 ILE 18 HD13 ILE 18 0.996 16.229 14.042 156 H GLU 19 HN GLU 19 -1.244 12.754 15.857 157 HA GLU 19 HA GLU 19 -3.414 13.442 17.580 158 1HB GLU 19 HB2 GLU 19 -3.626 13.227 15.122 159 2HB GLU 19 HB1 GLU 19 -3.362 11.490 15.265 160 1HG GLU 19 HG2 GLU 19 -5.385 11.250 16.608 161 2HG GLU 19 HG1 GLU 19 -5.617 12.997 16.622 162 H MET 20 HN MET 20 -2.059 10.250 16.691 163 HA MET 20 HA MET 20 -3.448 9.036 19.010 164 1HB MET 20 HB2 MET 20 -1.938 7.711 16.734 165 2HB MET 20 HB1 MET 20 -2.898 6.895 17.965 166 1HG MET 20 HG2 MET 20 -4.898 8.183 17.201 167 2HG MET 20 HG1 MET 20 -3.920 8.867 15.902 168 1HE MET 20 HE1 MET 20 -4.915 8.137 13.845 169 2HE MET 20 HE2 MET 20 -6.320 7.716 14.823 170 3HE MET 20 HE3 MET 20 -5.748 6.596 13.590 171 H ASN 21 HN ASN 21 -0.255 8.640 17.454 172 HA ASN 21 HA ASN 21 1.867 8.681 18.345 173 1HB ASN 21 HB2 ASN 21 0.739 10.354 20.086 174 2HB ASN 21 HB1 ASN 21 0.848 8.984 21.175 175 1HD2 ASN 21 HD21 ASN 21 2.637 9.257 22.467 176 2HD2 ASN 21 HD22 ASN 21 4.158 9.793 21.938 177 H GLN 22 HN GLN 22 0.646 6.354 17.750 178 HA GLN 22 HA GLN 22 0.330 4.448 19.722 179 1HB GLN 22 HB2 GLN 22 -0.132 4.157 17.258 180 2HB GLN 22 HB1 GLN 22 1.602 3.946 17.019 181 1HG GLN 22 HG2 GLN 22 0.645 1.746 17.210 182 2HG GLN 22 HG1 GLN 22 1.513 2.053 18.709 183 1HE2 GLN 22 HE21 GLN 22 -1.786 2.289 17.303 184 2HE2 GLN 22 HE22 GLN 22 -2.595 1.985 18.764 185 H SER 23 HN SER 23 3.290 5.562 18.134 186 HA SER 23 HA SER 23 4.904 4.692 20.382 187 1HB SER 23 HB2 SER 23 6.337 3.191 19.145 188 2HB SER 23 HB1 SER 23 4.677 2.623 18.988 189 HG SER 23 HG SER 23 5.275 2.669 16.935 190 H GLU 24 HN GLU 24 4.785 7.176 19.997 191 HA GLU 24 HA GLU 24 7.354 7.950 18.940 192 1HB GLU 24 HB2 GLU 24 5.682 7.852 16.936 193 2HB GLU 24 HB1 GLU 24 4.995 9.316 17.625 194 1HG GLU 24 HG2 GLU 24 6.626 10.078 16.049 195 2HG GLU 24 HG1 GLU 24 7.397 10.258 17.624 196 H ASP 25 HN ASP 25 5.822 10.694 18.540 197 HA ASP 25 HA ASP 25 5.184 11.427 21.286 198 1HB ASP 25 HB2 ASP 25 7.682 12.439 19.905 199 2HB ASP 25 HB1 ASP 25 6.985 13.179 21.352 200 H LYS 26 HN LYS 26 5.312 14.074 21.196 201 HA LYS 26 HA LYS 26 3.256 14.748 19.277 202 1HB LYS 26 HB2 LYS 26 3.291 15.582 21.615 203 2HB LYS 26 HB1 LYS 26 4.700 16.555 21.214 204 1HG LYS 26 HG2 LYS 26 3.395 17.754 19.497 205 2HG LYS 26 HG1 LYS 26 2.002 16.723 19.833 206 1HD LYS 26 HD2 LYS 26 1.730 18.847 21.014 207 2HD LYS 26 HD1 LYS 26 1.980 17.557 22.184 208 1HE LYS 26 HE2 LYS 26 4.370 19.123 21.214 209 2HE LYS 26 HE1 LYS 26 3.313 19.827 22.438 210 1HZ LYS 26 HZ1 LYS 26 3.997 17.078 22.941 211 2HZ LYS 26 HZ2 LYS 26 4.027 18.416 23.986 212 3HZ LYS 26 HZ3 LYS 26 5.337 18.118 22.945 213 H ILE 27 HN ILE 27 5.466 17.312 19.848 214 HA ILE 27 HA ILE 27 5.853 17.829 17.092 215 HB ILE 27 HB ILE 27 5.933 19.575 18.788 216 1HG1 ILE 27 HG12 ILE 27 8.676 19.334 17.504 217 2HG1 ILE 27 HG11 ILE 27 7.230 19.718 16.574 218 1HG2 ILE 27 HG21 ILE 27 8.570 18.350 19.649 219 2HG2 ILE 27 HG22 ILE 27 7.056 18.138 20.528 220 3HG2 ILE 27 HG23 ILE 27 7.761 19.745 20.363 221 1HD1 ILE 27 HD11 ILE 27 8.768 21.628 17.633 222 2HD1 ILE 27 HD12 ILE 27 7.726 21.356 19.026 223 3HD1 ILE 27 HD13 ILE 27 7.026 21.810 17.470 224 H HIS 28 HN HIS 28 7.791 16.163 19.507 225 HA HIS 28 HA HIS 28 10.149 15.926 17.927 226 1HB HIS 28 HB2 HIS 28 9.150 14.242 20.232 227 2HB HIS 28 HB1 HIS 28 10.781 14.190 19.572 228 HD1 HIS 28 HD1 HIS 28 11.813 16.861 19.414 229 HD2 HIS 28 HD2 HIS 28 9.060 15.923 22.402 230 HE1 HIS 28 HE1 HIS 28 12.078 18.625 21.212 231 HE2 HIS 28 HE2 HIS 28 10.406 18.067 23.040 232 H ALA 29 HN ALA 29 7.359 15.020 16.876 233 HA ALA 29 HA ALA 29 7.706 12.211 16.325 234 1HB ALA 29 HB1 ALA 29 5.761 14.250 15.223 235 2HB ALA 29 HB2 ALA 29 5.457 13.090 16.511 236 3HB ALA 29 HB3 ALA 29 5.715 12.524 14.868 237 H MET 30 HN MET 30 7.975 15.239 14.527 238 HA MET 30 HA MET 30 8.603 14.085 12.050 239 1HB MET 30 HB2 MET 30 7.980 16.404 12.131 240 2HB MET 30 HB1 MET 30 9.274 16.774 13.264 241 1HG MET 30 HG2 MET 30 9.734 17.443 10.868 242 2HG MET 30 HG1 MET 30 10.963 16.439 11.583 243 1HE MET 30 HE1 MET 30 7.662 16.463 9.782 244 2HE MET 30 HE2 MET 30 7.869 15.368 8.408 245 3HE MET 30 HE3 MET 30 8.768 16.874 8.462 246 H ASN 31 HN ASN 31 10.694 15.308 14.672 247 HA ASN 31 HA ASN 31 13.164 15.005 13.512 248 1HB ASN 31 HB2 ASN 31 12.799 15.846 15.808 249 2HB ASN 31 HB1 ASN 31 12.438 14.206 16.341 250 1HD2 ASN 31 HD21 ASN 31 14.570 15.511 17.560 251 2HD2 ASN 31 HD22 ASN 31 16.035 14.828 17.045 252 H SER 32 HN SER 32 11.445 12.430 15.318 253 HA SER 32 HA SER 32 13.307 10.386 14.726 254 1HB SER 32 HB2 SER 32 10.348 10.209 15.287 255 2HB SER 32 HB1 SER 32 11.459 8.841 15.303 256 HG SER 32 HG SER 32 10.997 9.993 17.372 257 H TYR 33 HN TYR 33 10.208 11.204 13.150 258 HA TYR 33 HA TYR 33 10.417 9.253 11.087 259 1HB TYR 33 HB2 TYR 33 8.264 10.281 11.731 260 2HB TYR 33 HB1 TYR 33 8.837 11.847 11.159 261 HD1 TYR 33 HD1 TYR 33 9.343 12.199 8.751 262 HD2 TYR 33 HD2 TYR 33 7.503 8.590 10.173 263 HE1 TYR 33 HE1 TYR 33 8.651 11.636 6.433 264 HE2 TYR 33 HE2 TYR 33 6.797 8.033 7.861 265 HH TYR 33 HH TYR 33 6.340 9.355 5.706 266 H TYR 34 HN TYR 34 11.820 12.375 11.537 267 HA TYR 34 HA TYR 34 12.286 12.999 8.767 268 1HB TYR 34 HB2 TYR 34 12.257 14.706 10.615 269 2HB TYR 34 HB1 TYR 34 13.768 14.038 11.205 270 HD1 TYR 34 HD1 TYR 34 15.817 14.181 9.818 271 HD2 TYR 34 HD2 TYR 34 12.155 16.099 8.644 272 HE1 TYR 34 HE1 TYR 34 17.064 15.547 8.167 273 HE2 TYR 34 HE2 TYR 34 13.407 17.455 6.982 274 HH TYR 34 HH TYR 34 16.915 17.038 6.525 275 H ARG 35 HN ARG 35 14.526 12.095 11.395 276 HA ARG 35 HA ARG 35 16.714 11.589 9.712 277 1HB ARG 35 HB2 ARG 35 17.700 10.461 11.639 278 2HB ARG 35 HB1 ARG 35 16.894 11.940 12.162 279 1HG ARG 35 HG2 ARG 35 14.871 10.544 12.728 280 2HG ARG 35 HG1 ARG 35 15.829 9.106 12.394 281 1HD ARG 35 HD2 ARG 35 16.572 11.219 14.429 282 2HD ARG 35 HD1 ARG 35 15.765 9.704 14.815 283 HE ARG 35 HE ARG 35 18.106 9.120 13.361 284 1HH1 ARG 35 HH21 ARG 35 17.058 10.423 16.391 285 2HH1 ARG 35 HH22 ARG 35 18.457 9.891 17.262 286 1HH2 ARG 35 HH11 ARG 35 19.946 8.419 14.497 287 2HH2 ARG 35 HH12 ARG 35 20.092 8.756 16.190 288 H SER 36 HN SER 36 13.921 9.695 10.549 289 HA SER 36 HA SER 36 14.960 7.140 9.911 290 1HB SER 36 HB2 SER 36 12.879 7.430 11.187 291 2HB SER 36 HB1 SER 36 12.104 8.141 9.773 292 HG SER 36 HG SER 36 11.741 6.184 9.122 293 H VAL 37 HN VAL 37 13.102 9.505 8.010 294 HA VAL 37 HA VAL 37 13.164 7.926 5.618 295 HB VAL 37 HB VAL 37 12.564 10.853 6.132 296 1HG1 VAL 37 HG11 VAL 37 12.549 9.284 3.540 297 2HG1 VAL 37 HG12 VAL 37 13.315 10.841 3.869 298 3HG1 VAL 37 HG13 VAL 37 11.562 10.729 3.761 299 1HG2 VAL 37 HG21 VAL 37 10.921 9.293 7.022 300 2HG2 VAL 37 HG22 VAL 37 10.851 8.431 5.484 301 3HG2 VAL 37 HG23 VAL 37 10.252 10.080 5.597 302 H VAL 38 HN VAL 38 15.011 10.754 6.736 303 HA VAL 38 HA VAL 38 16.633 10.973 4.431 304 HB VAL 38 HB VAL 38 17.197 11.786 7.301 305 1HG1 VAL 38 HG11 VAL 38 18.814 13.402 6.206 306 2HG1 VAL 38 HG12 VAL 38 18.614 12.484 4.715 307 3HG1 VAL 38 HG13 VAL 38 19.314 11.713 6.137 308 1HG2 VAL 38 HG21 VAL 38 15.271 12.962 6.524 309 2HG2 VAL 38 HG22 VAL 38 15.940 13.173 4.919 310 3HG2 VAL 38 HG23 VAL 38 16.604 14.078 6.272 311 H SER 39 HN SER 39 17.368 9.458 7.593 312 HA SER 39 HA SER 39 19.869 8.432 6.838 313 1HB SER 39 HB2 SER 39 17.986 7.156 8.833 314 2HB SER 39 HB1 SER 39 19.738 7.020 8.777 315 HG SER 39 HG SER 39 19.871 8.836 9.803 316 H THR 40 HN THR 40 16.707 7.488 5.934 317 HA THR 40 HA THR 40 17.486 4.762 5.196 318 HB THR 40 HB THR 40 14.891 6.289 4.922 319 HG1 THR 40 HG1 THR 40 14.382 4.364 6.324 320 1HG2 THR 40 HG21 THR 40 14.029 3.934 4.292 321 2HG2 THR 40 HG22 THR 40 15.713 3.548 3.921 322 3HG2 THR 40 HG23 THR 40 14.885 4.831 3.037 323 H LEU 41 HN LEU 41 16.421 7.733 3.541 324 HA LEU 41 HA LEU 41 16.823 6.670 0.916 325 1HB LEU 41 HB2 LEU 41 16.535 9.502 1.923 326 2HB LEU 41 HB1 LEU 41 16.577 9.069 0.216 327 HG LEU 41 HG LEU 41 14.565 8.013 2.230 328 1HD1 LEU 41 HD11 LEU 41 14.356 10.455 1.758 329 2HD1 LEU 41 HD12 LEU 41 12.963 9.530 1.205 330 3HD1 LEU 41 HD13 LEU 41 14.169 10.081 0.044 331 1HD2 LEU 41 HD21 LEU 41 14.526 6.375 0.556 332 2HD2 LEU 41 HD22 LEU 41 15.021 7.497 -0.712 333 3HD2 LEU 41 HD23 LEU 41 13.363 7.514 -0.116 334 H VAL 42 HN VAL 42 18.734 8.753 3.048 335 HA VAL 42 HA VAL 42 20.889 9.032 1.146 336 HB VAL 42 HB VAL 42 20.820 9.698 4.101 337 1HG1 VAL 42 HG11 VAL 42 22.862 10.088 1.926 338 2HG1 VAL 42 HG12 VAL 42 23.097 9.918 3.663 339 3HG1 VAL 42 HG13 VAL 42 22.593 11.462 2.997 340 1HG2 VAL 42 HG21 VAL 42 20.124 11.301 1.617 341 2HG2 VAL 42 HG22 VAL 42 20.376 12.022 3.206 342 3HG2 VAL 42 HG23 VAL 42 19.056 10.878 2.957 343 H GLN 43 HN GLN 43 20.058 6.303 1.978 344 HA GLN 43 HA GLN 43 22.722 5.288 2.599 345 1HB GLN 43 HB2 GLN 43 20.291 4.684 4.284 346 2HB GLN 43 HB1 GLN 43 21.758 3.708 4.312 347 1HG GLN 43 HG2 GLN 43 23.054 5.803 4.877 348 2HG GLN 43 HG1 GLN 43 21.514 6.641 5.050 349 1HE2 GLN 43 HE21 GLN 43 21.377 6.915 7.320 350 2HE2 GLN 43 HE22 GLN 43 21.462 5.633 8.430 351 H ASP 44 HN ASP 44 20.116 5.249 0.680 352 HA ASP 44 HA ASP 44 20.795 2.603 -0.376 353 1HB ASP 44 HB2 ASP 44 18.937 2.265 1.276 354 2HB ASP 44 HB1 ASP 44 17.934 3.336 0.300 355 H GLN 45 HN GLN 45 19.620 2.221 -2.461 356 HA GLN 45 HA GLN 45 19.052 2.870 -4.587 357 1HB GLN 45 HB2 GLN 45 17.186 4.076 -3.493 358 2HB GLN 45 HB1 GLN 45 18.218 5.482 -3.284 359 1HG GLN 45 HG2 GLN 45 18.475 5.752 -5.654 360 2HG GLN 45 HG1 GLN 45 17.622 4.243 -5.966 361 1HE2 GLN 45 HE21 GLN 45 15.496 4.611 -6.594 362 2HE2 GLN 45 HE22 GLN 45 14.525 5.892 -6.046 363 H LEU 46 HN LEU 46 20.272 5.853 -3.052 364 HA LEU 46 HA LEU 46 21.791 7.411 -3.900 365 1HB LEU 46 HB2 LEU 46 23.295 4.796 -3.938 366 2HB LEU 46 HB1 LEU 46 24.078 6.370 -4.091 367 HG LEU 46 HG LEU 46 22.223 5.846 -1.758 368 1HD1 LEU 46 HD11 LEU 46 23.786 3.962 -1.717 369 2HD1 LEU 46 HD12 LEU 46 24.198 5.102 -0.436 370 3HD1 LEU 46 HD13 LEU 46 25.152 5.060 -1.920 371 1HD2 LEU 46 HD21 LEU 46 23.735 7.457 -0.636 372 2HD2 LEU 46 HD22 LEU 46 23.068 8.154 -2.107 373 3HD2 LEU 46 HD23 LEU 46 24.723 7.550 -2.091 374 H THR 47 HN THR 47 20.062 6.701 -5.941 375 HA THR 47 HA THR 47 21.508 5.885 -8.291 376 HB THR 47 HB THR 47 19.089 5.453 -7.962 377 HG1 THR 47 HG1 THR 47 18.621 5.843 -10.066 378 1HG2 THR 47 HG21 THR 47 18.639 7.728 -6.915 379 2HG2 THR 47 HG22 THR 47 17.483 7.211 -8.141 380 3HG2 THR 47 HG23 THR 47 18.726 8.392 -8.542 381 H LYS 48 HN LYS 48 20.625 8.886 -6.768 382 HA LYS 48 HA LYS 48 22.547 10.366 -8.261 383 1HB LYS 48 HB2 LYS 48 20.951 10.239 -10.053 384 2HB LYS 48 HB1 LYS 48 19.634 10.684 -8.982 385 1HG LYS 48 HG2 LYS 48 20.186 12.929 -8.961 386 2HG LYS 48 HG1 LYS 48 21.912 12.636 -9.116 387 1HD LYS 48 HD2 LYS 48 20.071 12.032 -11.446 388 2HD LYS 48 HD1 LYS 48 20.604 13.688 -11.143 389 1HE LYS 48 HE2 LYS 48 22.929 13.034 -11.278 390 2HE LYS 48 HE1 LYS 48 22.494 11.335 -11.410 391 1HZ LYS 48 HZ1 LYS 48 22.865 12.000 -13.589 392 2HZ LYS 48 HZ2 LYS 48 22.080 13.492 -13.382 393 3HZ LYS 48 HZ3 LYS 48 21.176 12.055 -13.447 394 H ASN 49 HN ASN 49 23.144 12.063 -7.071 395 HA ASN 49 HA ASN 49 22.222 12.573 -4.535 396 1HB ASN 49 HB2 ASN 49 23.421 14.615 -6.390 397 2HB ASN 49 HB1 ASN 49 23.388 14.688 -4.627 398 1HD2 ASN 49 HD21 ASN 49 25.712 14.414 -6.648 399 2HD2 ASN 49 HD22 ASN 49 26.587 13.080 -6.069 400 H ALA 50 HN ALA 50 21.128 13.983 -7.590 401 HA ALA 50 HA ALA 50 19.452 15.964 -6.444 402 1HB ALA 50 HB1 ALA 50 18.734 14.766 -9.106 403 2HB ALA 50 HB2 ALA 50 20.275 15.606 -8.954 404 3HB ALA 50 HB3 ALA 50 18.770 16.459 -8.612 405 H VAL 51 HN VAL 51 18.762 12.692 -7.663 406 HA VAL 51 HA VAL 51 16.000 12.628 -7.234 407 HB VAL 51 HB VAL 51 18.106 10.469 -7.166 408 1HG1 VAL 51 HG11 VAL 51 16.068 8.857 -7.269 409 2HG1 VAL 51 HG12 VAL 51 15.147 10.185 -6.572 410 3HG1 VAL 51 HG13 VAL 51 16.512 9.501 -5.691 411 1HG2 VAL 51 HG21 VAL 51 17.429 11.568 -9.317 412 2HG2 VAL 51 HG22 VAL 51 15.784 10.990 -9.052 413 3HG2 VAL 51 HG23 VAL 51 17.093 9.840 -9.291 414 H VAL 52 HN VAL 52 18.615 11.882 -4.933 415 HA VAL 52 HA VAL 52 16.742 11.323 -2.789 416 HB VAL 52 HB VAL 52 18.777 11.214 -1.375 417 1HG1 VAL 52 HG11 VAL 52 18.981 9.783 -4.041 418 2HG1 VAL 52 HG12 VAL 52 18.008 9.250 -2.669 419 3HG1 VAL 52 HG13 VAL 52 19.768 9.280 -2.546 420 1HG2 VAL 52 HG21 VAL 52 20.981 11.404 -2.537 421 2HG2 VAL 52 HG22 VAL 52 20.118 12.940 -2.489 422 3HG2 VAL 52 HG23 VAL 52 20.131 11.983 -3.959 423 H LEU 53 HN LEU 53 18.705 14.064 -3.828 424 HA LEU 53 HA LEU 53 18.393 15.672 -1.518 425 1HB LEU 53 HB2 LEU 53 20.012 16.186 -3.313 426 2HB LEU 53 HB1 LEU 53 18.672 16.556 -4.386 427 HG LEU 53 HG LEU 53 17.975 18.395 -2.866 428 1HD1 LEU 53 HD11 LEU 53 19.869 19.091 -1.189 429 2HD1 LEU 53 HD12 LEU 53 20.328 17.392 -1.266 430 3HD1 LEU 53 HD13 LEU 53 18.718 17.848 -0.710 431 1HD2 LEU 53 HD21 LEU 53 20.845 18.449 -3.855 432 2HD2 LEU 53 HD22 LEU 53 19.919 19.883 -3.409 433 3HD2 LEU 53 HD23 LEU 53 19.404 18.889 -4.771 434 H LYS 54 HN LYS 54 16.489 15.546 -4.536 435 HA LYS 54 HA LYS 54 14.697 17.590 -4.050 436 1HB LYS 54 HB2 LYS 54 13.364 16.668 -5.749 437 2HB LYS 54 HB1 LYS 54 14.921 15.912 -6.085 438 1HG LYS 54 HG2 LYS 54 14.154 13.965 -4.667 439 2HG LYS 54 HG1 LYS 54 12.558 14.677 -4.627 440 1HD LYS 54 HD2 LYS 54 12.404 14.556 -7.061 441 2HD LYS 54 HD1 LYS 54 14.034 13.891 -7.146 442 1HE LYS 54 HE2 LYS 54 12.438 12.048 -7.257 443 2HE LYS 54 HE1 LYS 54 13.277 11.981 -5.707 444 1HZ LYS 54 HZ1 LYS 54 11.443 12.731 -4.574 445 2HZ LYS 54 HZ2 LYS 54 10.706 11.801 -5.789 446 3HZ LYS 54 HZ3 LYS 54 10.765 13.493 -5.929 447 H ARG 55 HN ARG 55 14.673 14.296 -2.790 448 HA ARG 55 HA ARG 55 12.127 14.374 -1.572 449 1HB ARG 55 HB2 ARG 55 14.604 12.749 -1.001 450 2HB ARG 55 HB1 ARG 55 13.090 12.488 -0.153 451 1HG ARG 55 HG2 ARG 55 13.095 12.492 -3.177 452 2HG ARG 55 HG1 ARG 55 13.666 11.065 -2.323 453 1HD ARG 55 HD2 ARG 55 10.974 12.348 -1.800 454 2HD ARG 55 HD1 ARG 55 11.225 11.013 -2.919 455 HE ARG 55 HE ARG 55 12.360 10.339 -0.426 456 1HH1 ARG 55 HH21 ARG 55 9.313 10.919 -1.961 457 2HH1 ARG 55 HH22 ARG 55 8.432 9.835 -0.937 458 1HH2 ARG 55 HH11 ARG 55 11.213 8.911 0.920 459 2HH2 ARG 55 HH12 ARG 55 9.510 8.697 0.692 460 H ILE 56 HN ILE 56 15.351 15.289 -0.453 461 HA ILE 56 HA ILE 56 14.679 15.737 2.256 462 HB ILE 56 HB ILE 56 16.791 17.105 0.582 463 1HG1 ILE 56 HG12 ILE 56 17.019 14.690 0.440 464 2HG1 ILE 56 HG11 ILE 56 18.296 15.335 1.443 465 1HG2 ILE 56 HG21 ILE 56 17.950 17.299 2.782 466 2HG2 ILE 56 HG22 ILE 56 16.468 16.738 3.560 467 3HG2 ILE 56 HG23 ILE 56 16.478 18.259 2.664 468 1HD1 ILE 56 HD11 ILE 56 17.605 13.505 2.697 469 2HD1 ILE 56 HD12 ILE 56 15.917 13.677 2.224 470 3HD1 ILE 56 HD13 ILE 56 16.617 14.778 3.406 471 H GLN 57 HN GLN 57 14.925 18.009 -0.497 472 HA GLN 57 HA GLN 57 14.185 20.356 0.799 473 1HB GLN 57 HB2 GLN 57 13.623 19.420 -2.030 474 2HB GLN 57 HB1 GLN 57 13.353 21.073 -1.478 475 1HG GLN 57 HG2 GLN 57 16.024 19.651 -1.279 476 2HG GLN 57 HG1 GLN 57 15.576 20.714 -2.612 477 1HE2 GLN 57 HE21 GLN 57 17.372 20.803 0.112 478 2HE2 GLN 57 HE22 GLN 57 17.125 22.414 0.588 479 H HIS 58 HN HIS 58 12.110 17.899 -0.728 480 HA HIS 58 HA HIS 58 9.662 19.221 -0.219 481 1HB HIS 58 HB2 HIS 58 10.322 16.290 -0.635 482 2HB HIS 58 HB1 HIS 58 8.676 16.912 -0.529 483 HD1 HIS 58 HD1 HIS 58 11.615 18.523 -2.298 484 HD2 HIS 58 HD2 HIS 58 7.918 16.832 -3.223 485 HE1 HIS 58 HE1 HIS 58 11.222 18.963 -4.761 486 HE2 HIS 58 HE2 HIS 58 8.972 17.938 -5.340 487 H LEU 59 HN LEU 59 11.599 16.916 1.633 488 HA LEU 59 HA LEU 59 9.763 16.251 3.627 489 1HB LEU 59 HB2 LEU 59 12.325 15.570 3.145 490 2HB LEU 59 HB1 LEU 59 12.609 16.694 4.462 491 HG LEU 59 HG LEU 59 12.377 14.457 5.376 492 1HD1 LEU 59 HD11 LEU 59 11.264 16.498 6.510 493 2HD1 LEU 59 HD12 LEU 59 10.831 14.886 7.082 494 3HD1 LEU 59 HD13 LEU 59 9.738 15.767 6.017 495 1HD2 LEU 59 HD21 LEU 59 9.516 14.075 4.632 496 2HD2 LEU 59 HD22 LEU 59 10.828 12.901 4.745 497 3HD2 LEU 59 HD23 LEU 59 10.664 13.893 3.302 498 H ASP 60 HN ASP 60 11.617 19.186 3.176 499 HA ASP 60 HA ASP 60 11.341 20.287 5.748 500 1HB ASP 60 HB2 ASP 60 11.430 21.752 3.100 501 2HB ASP 60 HB1 ASP 60 11.791 22.434 4.685 502 H GLU 61 HN GLU 61 9.142 20.092 3.018 503 HA GLU 61 HA GLU 61 7.256 22.037 3.780 504 1HB GLU 61 HB2 GLU 61 5.929 21.186 2.070 505 2HB GLU 61 HB1 GLU 61 7.494 20.534 1.599 506 1HG GLU 61 HG2 GLU 61 6.840 18.402 2.889 507 2HG GLU 61 HG1 GLU 61 5.234 19.090 3.014 508 H ALA 62 HN ALA 62 7.586 18.639 4.684 509 HA ALA 62 HA ALA 62 5.147 18.516 6.178 510 1HB ALA 62 HB1 ALA 62 7.594 16.759 6.395 511 2HB ALA 62 HB2 ALA 62 6.321 16.538 5.199 512 3HB ALA 62 HB3 ALA 62 5.960 16.363 6.919 513 H TYR 63 HN TYR 63 8.586 18.799 7.058 514 HA TYR 63 HA TYR 63 8.373 18.816 9.784 515 1HB TYR 63 HB2 TYR 63 10.620 18.947 9.283 516 2HB TYR 63 HB1 TYR 63 10.307 19.849 7.813 517 HD1 TYR 63 HD1 TYR 63 10.010 22.298 7.863 518 HD2 TYR 63 HD2 TYR 63 11.103 20.119 11.397 519 HE1 TYR 63 HE1 TYR 63 10.633 24.423 8.978 520 HE2 TYR 63 HE2 TYR 63 11.726 22.246 12.515 521 HH TYR 63 HH TYR 63 11.819 24.451 12.349 522 H ASN 64 HN ASN 64 7.922 21.511 7.538 523 HA ASN 64 HA ASN 64 7.536 23.499 9.512 524 1HB ASN 64 HB2 ASN 64 8.112 23.992 7.159 525 2HB ASN 64 HB1 ASN 64 6.513 23.431 6.669 526 1HD2 ASN 64 HD21 ASN 64 6.711 25.082 9.738 527 2HD2 ASN 64 HD22 ASN 64 6.044 26.550 9.214 528 H LYS 65 HN LYS 65 5.402 21.263 7.862 529 HA LYS 65 HA LYS 65 2.969 22.438 8.768 530 1HB LYS 65 HB2 LYS 65 3.339 20.757 6.819 531 2HB LYS 65 HB1 LYS 65 3.297 19.515 8.063 532 1HG LYS 65 HG2 LYS 65 1.031 19.591 7.499 533 2HG LYS 65 HG1 LYS 65 1.048 20.776 8.796 534 1HD LYS 65 HD2 LYS 65 1.315 22.579 7.085 535 2HD LYS 65 HD1 LYS 65 1.207 21.357 5.822 536 1HE LYS 65 HE2 LYS 65 -1.044 20.734 6.584 537 2HE LYS 65 HE1 LYS 65 -0.936 21.910 7.896 538 1HZ LYS 65 HZ1 LYS 65 -1.890 22.396 5.395 539 2HZ LYS 65 HZ2 LYS 65 -0.320 23.042 5.343 540 3HZ LYS 65 HZ3 LYS 65 -1.420 23.572 6.525 541 H VAL 66 HN VAL 66 5.050 19.837 9.976 542 HA VAL 66 HA VAL 66 3.336 18.971 12.038 543 HB VAL 66 HB VAL 66 6.356 18.769 11.772 544 1HG1 VAL 66 HG11 VAL 66 4.471 17.571 13.815 545 2HG1 VAL 66 HG12 VAL 66 5.906 18.550 14.116 546 3HG1 VAL 66 HG13 VAL 66 6.075 16.912 13.490 547 1HG2 VAL 66 HG21 VAL 66 5.166 17.543 10.056 548 2HG2 VAL 66 HG22 VAL 66 4.054 16.864 11.244 549 3HG2 VAL 66 HG23 VAL 66 5.749 16.388 11.252 550 H LYS 67 HN LYS 67 5.957 21.311 12.018 551 HA LYS 67 HA LYS 67 5.853 21.969 14.764 552 1HB LYS 67 HB2 LYS 67 6.784 23.561 12.390 553 2HB LYS 67 HB1 LYS 67 7.228 23.851 14.070 554 1HG LYS 67 HG2 LYS 67 7.671 21.069 12.961 555 2HG LYS 67 HG1 LYS 67 8.759 22.319 12.475 556 1HD LYS 67 HD2 LYS 67 9.394 22.746 14.804 557 2HD LYS 67 HD1 LYS 67 8.106 21.679 15.352 558 1HE LYS 67 HE2 LYS 67 10.328 20.651 13.592 559 2HE LYS 67 HE1 LYS 67 10.467 20.680 15.350 560 1HZ LYS 67 HZ1 LYS 67 7.953 19.664 14.639 561 2HZ LYS 67 HZ2 LYS 67 9.211 18.886 15.473 562 3HZ LYS 67 HZ3 LYS 67 9.136 18.808 13.777 563 H ARG 68 HN ARG 68 4.411 23.420 11.885 564 HA ARG 68 HA ARG 68 3.058 25.499 13.390 565 1HB ARG 68 HB2 ARG 68 2.964 24.608 10.506 566 2HB ARG 68 HB1 ARG 68 2.012 25.936 11.139 567 1HG ARG 68 HG2 ARG 68 4.182 26.990 11.947 568 2HG ARG 68 HG1 ARG 68 5.034 25.729 11.054 569 1HD ARG 68 HD2 ARG 68 3.056 27.683 9.848 570 2HD ARG 68 HD1 ARG 68 4.808 27.834 9.747 571 HE ARG 68 HE ARG 68 4.293 25.332 8.741 572 1HH1 ARG 68 HH21 ARG 68 3.188 28.548 8.106 573 2HH1 ARG 68 HH22 ARG 68 2.910 28.268 6.420 574 1HH2 ARG 68 HH11 ARG 68 3.928 24.955 6.531 575 2HH2 ARG 68 HH12 ARG 68 3.329 26.233 5.528 576 H GLY 69 HN GLY 69 2.474 22.233 12.595 577 1HA GLY 69 HA2 GLY 69 -0.456 22.434 12.720 578 2HA GLY 69 HA1 GLY 69 0.494 20.994 12.376 579 H GLU 70 HN GLU 70 2.284 21.175 14.572 580 HA GLU 70 HA GLU 70 0.693 19.944 16.608 581 1HB GLU 70 HB2 GLU 70 2.786 19.505 17.709 582 2HB GLU 70 HB1 GLU 70 3.037 19.283 15.981 583 1HG GLU 70 HG2 GLU 70 4.887 20.598 16.531 584 2HG GLU 70 HG1 GLU 70 3.729 21.809 16.019 585 H SER 71 HN SER 71 2.212 23.079 16.160 586 HA SER 71 HA SER 71 0.887 24.068 18.634 587 1HB SER 71 HB2 SER 71 3.677 24.559 17.611 588 2HB SER 71 HB1 SER 71 2.884 25.731 18.661 589 HG SER 71 HG SER 71 2.511 23.935 20.111 590 H LYS 72 HN LYS 72 -0.692 25.363 18.069 591 HA LYS 72 HA LYS 72 -0.735 26.760 15.525 592 1HB LYS 72 HB2 LYS 72 -2.601 26.776 17.901 593 2HB LYS 72 HB1 LYS 72 -2.932 27.591 16.372 594 1HG LYS 72 HG2 LYS 72 -2.260 24.637 16.430 595 2HG LYS 72 HG1 LYS 72 -3.900 25.175 16.763 596 1HD LYS 72 HD2 LYS 72 -2.645 26.330 14.290 597 2HD LYS 72 HD1 LYS 72 -2.998 24.607 14.234 598 1HE LYS 72 HE2 LYS 72 -4.862 26.182 13.429 599 2HE LYS 72 HE1 LYS 72 -5.330 24.971 14.626 600 1HZ LYS 72 HZ1 LYS 72 -6.187 27.082 15.291 601 2HZ LYS 72 HZ2 LYS 72 -4.661 27.813 15.138 602 3HZ LYS 72 HZ3 LYS 72 -4.935 26.658 16.352 603 H LEU 73 HN LEU 73 0.470 27.387 18.635 604 HA LEU 73 HA LEU 73 0.072 30.221 18.721 605 1HB LEU 73 HB2 LEU 73 2.181 28.585 20.134 606 2HB LEU 73 HB1 LEU 73 1.576 30.173 20.602 607 HG LEU 73 HG LEU 73 -0.049 27.612 20.517 608 1HD1 LEU 73 HD11 LEU 73 1.623 27.724 22.344 609 2HD1 LEU 73 HD12 LEU 73 -0.030 27.767 22.957 610 3HD1 LEU 73 HD13 LEU 73 0.921 29.251 22.877 611 1HD2 LEU 73 HD21 LEU 73 -0.776 30.486 21.146 612 2HD2 LEU 73 HD22 LEU 73 -1.695 29.149 21.839 613 3HD2 LEU 73 HD23 LEU 73 -1.613 29.346 20.093 614 H GLU 74 HN GLU 74 3.205 28.566 18.613 615 HA GLU 74 HA GLU 74 5.196 29.221 17.633 616 1HB GLU 74 HB2 GLU 74 3.233 29.643 15.363 617 2HB GLU 74 HB1 GLU 74 4.985 29.611 15.167 618 1HG GLU 74 HG2 GLU 74 3.393 27.346 16.392 619 2HG GLU 74 HG1 GLU 74 3.849 27.405 14.692 620 H HIS 75 HN HIS 75 3.973 31.254 19.184 621 HA HIS 75 HA HIS 75 5.346 33.560 18.149 622 1HB HIS 75 HB2 HIS 75 3.227 33.705 16.880 623 2HB HIS 75 HB1 HIS 75 2.327 33.683 18.397 624 HD1 HIS 75 HD1 HIS 75 5.393 35.655 17.247 625 HD2 HIS 75 HD2 HIS 75 1.650 36.298 18.966 626 HE1 HIS 75 HE1 HIS 75 5.226 38.143 17.689 627 HE2 HIS 75 HE2 HIS 75 2.950 38.551 18.737 628 H HIS 76 HN HIS 76 6.046 34.769 19.790 629 HA HIS 76 HA HIS 76 5.337 34.017 22.511 630 1HB HIS 76 HB2 HIS 76 7.214 36.175 21.517 631 2HB HIS 76 HB1 HIS 76 7.123 35.539 23.160 632 HD1 HIS 76 HD1 HIS 76 7.855 32.999 23.487 633 HD2 HIS 76 HD2 HIS 76 8.700 34.603 19.732 634 HE1 HIS 76 HE1 HIS 76 9.498 31.417 22.385 635 HE2 HIS 76 HE2 HIS 76 10.022 32.381 20.096 636 H HIS 77 HN HIS 77 3.027 34.781 21.963 637 HA HIS 77 HA HIS 77 2.456 37.551 21.773 638 1HB HIS 77 HB2 HIS 77 0.846 35.733 21.203 639 2HB HIS 77 HB1 HIS 77 0.705 35.361 22.921 640 HD1 HIS 77 HD1 HIS 77 -0.598 37.029 24.409 641 HD2 HIS 77 HD2 HIS 77 -0.368 38.202 20.415 642 HE1 HIS 77 HE1 HIS 77 -2.223 38.952 24.132 643 HE2 HIS 77 HE2 HIS 77 -2.095 39.678 21.702 644 H HIS 78 HN HIS 78 2.560 35.315 24.535 645 HA HIS 78 HA HIS 78 1.990 37.405 26.459 646 1HB HIS 78 HB2 HIS 78 2.962 34.564 26.860 647 2HB HIS 78 HB1 HIS 78 2.369 35.640 28.126 648 HD1 HIS 78 HD1 HIS 78 -0.192 36.543 27.701 649 HD2 HIS 78 HD2 HIS 78 0.954 33.111 25.630 650 HE1 HIS 78 HE1 HIS 78 -2.330 35.424 26.929 651 HE2 HIS 78 HE2 HIS 78 -1.648 33.331 25.665 652 H HIS 79 HN HIS 79 3.458 37.988 28.186 653 HA HIS 79 HA HIS 79 5.446 38.916 28.884 654 1HB HIS 79 HB2 HIS 79 6.517 36.342 27.701 655 2HB HIS 79 HB1 HIS 79 7.398 37.403 28.798 656 HD1 HIS 79 HD1 HIS 79 6.231 37.761 31.223 657 HD2 HIS 79 HD2 HIS 79 4.852 34.526 28.984 658 HE1 HIS 79 HE1 HIS 79 4.993 36.250 32.835 659 HE2 HIS 79 HE2 HIS 79 4.146 34.272 31.485 660 H HIS 80 HN HIS 80 8.013 38.868 27.863 661 HA HIS 80 HA HIS 80 7.966 39.582 25.038 662 1HB HIS 80 HB2 HIS 80 8.559 41.661 27.162 663 2HB HIS 80 HB1 HIS 80 8.781 41.877 25.425 664 HD1 HIS 80 HD1 HIS 80 6.180 41.807 28.085 665 HD2 HIS 80 HD2 HIS 80 6.311 41.996 23.922 666 HE1 HIS 80 HE1 HIS 80 3.856 42.466 27.324 667 HE2 HIS 80 HE2 HIS 80 3.920 42.587 24.788 668 1H MET 1 HT1 MET 1 43.404 31.761 5.684 669 2H MET 1 HT2 MET 1 41.971 31.340 4.874 670 3H MET 1 HT3 MET 1 42.669 30.263 5.988 671 HA MET 1 HA MET 1 42.210 31.743 7.805 672 1HB MET 1 HB2 MET 1 40.806 33.794 7.286 673 2HB MET 1 HB1 MET 1 42.474 33.877 6.717 674 1HG MET 1 HG2 MET 1 41.774 33.230 4.464 675 2HG MET 1 HG1 MET 1 40.108 33.043 5.011 676 1HE MET 1 HE1 MET 1 39.150 34.629 3.227 677 2HE MET 1 HE2 MET 1 40.784 34.684 2.570 678 3HE MET 1 HE3 MET 1 39.880 36.181 2.791 679 H SER 2 HN SER 2 40.867 29.898 5.511 680 HA SER 2 HA SER 2 38.091 30.134 5.812 681 1HB SER 2 HB2 SER 2 37.975 27.846 4.988 682 2HB SER 2 HB1 SER 2 39.209 28.731 4.095 683 HG SER 2 HG SER 2 40.639 27.398 4.852 684 H GLU 3 HN GLU 3 36.875 29.931 7.561 685 HA GLU 3 HA GLU 3 37.900 28.652 9.972 686 1HB GLU 3 HB2 GLU 3 35.314 30.098 9.361 687 2HB GLU 3 HB1 GLU 3 35.724 29.432 10.943 688 1HG GLU 3 HG2 GLU 3 37.718 30.855 11.053 689 2HG GLU 3 HG1 GLU 3 37.375 31.489 9.445 690 H LEU 4 HN LEU 4 36.416 27.197 11.202 691 HA LEU 4 HA LEU 4 35.400 25.136 11.362 692 1HB LEU 4 HB2 LEU 4 33.902 26.065 8.904 693 2HB LEU 4 HB1 LEU 4 33.379 24.847 10.064 694 HG LEU 4 HG LEU 4 33.847 27.780 10.685 695 1HD1 LEU 4 HD11 LEU 4 31.875 27.386 9.259 696 2HD1 LEU 4 HD12 LEU 4 31.396 27.899 10.876 697 3HD1 LEU 4 HD13 LEU 4 31.269 26.200 10.417 698 1HD2 LEU 4 HD21 LEU 4 32.529 27.053 12.819 699 2HD2 LEU 4 HD22 LEU 4 34.233 26.630 12.723 700 3HD2 LEU 4 HD23 LEU 4 33.003 25.416 12.372 701 H PHE 5 HN PHE 5 37.766 25.594 9.508 702 HA PHE 5 HA PHE 5 37.571 23.915 7.261 703 1HB PHE 5 HB2 PHE 5 39.448 25.482 7.650 704 2HB PHE 5 HB1 PHE 5 39.999 24.474 8.986 705 HD1 PHE 5 HD2 PHE 5 39.505 24.632 5.321 706 HD2 PHE 5 HD1 PHE 5 41.133 22.360 8.581 707 HE1 PHE 5 HE2 PHE 5 40.724 23.196 3.709 708 HE2 PHE 5 HE1 PHE 5 42.353 20.922 6.971 709 HZ PHE 5 HZ PHE 5 42.149 21.340 4.535 710 H SER 6 HN SER 6 38.670 23.235 10.583 711 HA SER 6 HA SER 6 39.028 20.419 10.040 712 1HB SER 6 HB2 SER 6 38.917 21.708 12.780 713 2HB SER 6 HB1 SER 6 39.791 20.264 12.286 714 HG SER 6 HG SER 6 41.344 21.702 12.172 715 H VAL 7 HN VAL 7 37.420 19.001 9.944 716 HA VAL 7 HA VAL 7 34.758 19.570 10.548 717 HB VAL 7 HB VAL 7 35.559 16.703 10.775 718 1HG1 VAL 7 HG11 VAL 7 33.612 18.065 8.901 719 2HG1 VAL 7 HG12 VAL 7 33.199 17.457 10.505 720 3HG1 VAL 7 HG13 VAL 7 33.733 16.340 9.251 721 1HG2 VAL 7 HG21 VAL 7 35.977 16.606 8.266 722 2HG2 VAL 7 HG22 VAL 7 37.278 17.311 9.220 723 3HG2 VAL 7 HG23 VAL 7 36.183 18.357 8.317 724 HA PRO 8 HA PRO 8 35.739 17.061 14.738 725 1HB PRO 8 HB2 PRO 8 38.316 18.573 15.159 726 2HB PRO 8 HB1 PRO 8 37.861 16.952 15.730 727 1HG PRO 8 HG2 PRO 8 39.487 17.235 13.652 728 2HG PRO 8 HG1 PRO 8 38.238 15.972 13.651 729 1HD PRO 8 HD2 PRO 8 38.284 18.553 12.142 730 2HD PRO 8 HD1 PRO 8 37.562 17.020 11.668 731 H TYR 9 HN TYR 9 36.294 20.365 13.785 732 HA TYR 9 HA TYR 9 35.895 21.667 16.251 733 1HB TYR 9 HB2 TYR 9 36.750 22.843 14.286 734 2HB TYR 9 HB1 TYR 9 35.227 22.576 13.442 735 HD1 TYR 9 HD2 TYR 9 36.883 24.433 16.170 736 HD2 TYR 9 HD1 TYR 9 33.204 23.788 14.054 737 HE1 TYR 9 HE2 TYR 9 35.931 26.473 17.208 738 HE2 TYR 9 HE1 TYR 9 32.249 25.831 15.082 739 HH TYR 9 HH TYR 9 34.224 27.948 17.131 740 H PHE 10 HN PHE 10 33.608 20.517 13.793 741 HA PHE 10 HA PHE 10 31.275 21.681 14.860 742 1HB PHE 10 HB2 PHE 10 31.734 19.200 13.184 743 2HB PHE 10 HB1 PHE 10 30.119 19.698 13.677 744 HD1 PHE 10 HD2 PHE 10 29.553 22.223 13.300 745 HD2 PHE 10 HD1 PHE 10 32.561 20.087 11.125 746 HE1 PHE 10 HE2 PHE 10 29.419 23.904 11.482 747 HE2 PHE 10 HE1 PHE 10 32.435 21.760 9.299 748 HZ PHE 10 HZ PHE 10 30.854 23.665 9.476 749 H ILE 11 HN ILE 11 32.854 18.574 15.529 750 HA ILE 11 HA ILE 11 30.860 17.559 17.253 751 HB ILE 11 HB ILE 11 33.842 17.030 17.130 752 1HG1 ILE 11 HG12 ILE 11 31.516 15.343 16.183 753 2HG1 ILE 11 HG11 ILE 11 32.350 16.470 15.119 754 1HG2 ILE 11 HG21 ILE 11 33.178 14.884 18.353 755 2HG2 ILE 11 HG22 ILE 11 31.627 15.652 18.682 756 3HG2 ILE 11 HG23 ILE 11 33.115 16.350 19.333 757 1HD1 ILE 11 HD11 ILE 11 33.507 14.040 16.504 758 2HD1 ILE 11 HD12 ILE 11 34.506 15.259 15.714 759 3HD1 ILE 11 HD13 ILE 11 33.354 14.321 14.772 760 H GLU 12 HN GLU 12 33.805 19.432 17.885 761 HA GLU 12 HA GLU 12 33.845 19.443 20.637 762 1HB GLU 12 HB2 GLU 12 35.499 20.555 19.099 763 2HB GLU 12 HB1 GLU 12 34.350 21.881 18.910 764 1HG GLU 12 HG2 GLU 12 34.390 22.278 21.332 765 2HG GLU 12 HG1 GLU 12 35.503 20.928 21.539 766 H ASN 13 HN ASN 13 31.616 21.091 18.499 767 HA ASN 13 HA ASN 13 30.504 22.833 20.501 768 1HB ASN 13 HB2 ASN 13 29.311 21.918 17.880 769 2HB ASN 13 HB1 ASN 13 28.792 23.297 18.845 770 1HD2 ASN 13 HD21 ASN 13 31.708 23.897 19.540 771 2HD2 ASN 13 HD22 ASN 13 32.327 24.640 18.144 772 H LEU 14 HN LEU 14 29.690 19.663 19.165 773 HA LEU 14 HA LEU 14 27.198 19.377 20.519 774 1HB LEU 14 HB2 LEU 14 29.005 17.130 19.586 775 2HB LEU 14 HB1 LEU 14 27.248 17.116 19.737 776 HG LEU 14 HG LEU 14 28.806 18.853 17.801 777 1HD1 LEU 14 HD11 LEU 14 28.181 17.373 16.061 778 2HD1 LEU 14 HD12 LEU 14 27.092 16.477 17.110 779 3HD1 LEU 14 HD13 LEU 14 28.832 16.350 17.338 780 1HD2 LEU 14 HD21 LEU 14 26.476 19.099 16.788 781 2HD2 LEU 14 HD22 LEU 14 26.759 19.959 18.292 782 3HD2 LEU 14 HD23 LEU 14 25.854 18.445 18.298 783 H LYS 15 HN LYS 15 30.489 18.214 21.170 784 HA LYS 15 HA LYS 15 29.887 16.804 23.504 785 1HB LYS 15 HB2 LYS 15 31.978 16.490 22.241 786 2HB LYS 15 HB1 LYS 15 32.504 18.096 22.749 787 1HG LYS 15 HG2 LYS 15 32.536 17.436 25.069 788 2HG LYS 15 HG1 LYS 15 31.742 15.907 24.703 789 1HD LYS 15 HD2 LYS 15 34.128 15.526 25.037 790 2HD LYS 15 HD1 LYS 15 33.709 15.224 23.352 791 1HE LYS 15 HE2 LYS 15 34.696 17.269 22.632 792 2HE LYS 15 HE1 LYS 15 34.747 17.917 24.273 793 1HZ LYS 15 HZ1 LYS 15 36.785 17.103 24.425 794 2HZ LYS 15 HZ2 LYS 15 36.655 16.328 22.919 795 3HZ LYS 15 HZ3 LYS 15 36.144 15.535 24.331 796 H GLN 16 HN GLN 16 30.317 20.155 22.855 797 HA GLN 16 HA GLN 16 31.015 21.060 25.439 798 1HB GLN 16 HB2 GLN 16 31.223 22.451 23.414 799 2HB GLN 16 HB1 GLN 16 29.468 22.524 23.302 800 1HG GLN 16 HG2 GLN 16 29.299 23.679 25.410 801 2HG GLN 16 HG1 GLN 16 31.016 23.447 25.732 802 1HE2 GLN 16 HE21 GLN 16 29.894 26.067 25.675 803 2HE2 GLN 16 HE22 GLN 16 30.494 26.887 24.315 804 H HIS 17 HN HIS 17 27.976 20.137 24.007 805 HA HIS 17 HA HIS 17 26.390 21.313 26.149 806 1HB HIS 17 HB2 HIS 17 25.495 21.068 23.882 807 2HB HIS 17 HB1 HIS 17 25.651 19.312 24.019 808 HD1 HIS 17 HD1 HIS 17 23.860 22.212 25.708 809 HD2 HIS 17 HD2 HIS 17 23.543 18.075 25.312 810 HE1 HIS 17 HE1 HIS 17 21.677 21.549 26.809 811 HE2 HIS 17 HE2 HIS 17 21.446 19.038 26.534 812 H ILE 18 HN ILE 18 26.811 17.932 25.035 813 HA ILE 18 HA ILE 18 25.665 16.642 27.198 814 HB ILE 18 HB ILE 18 26.700 14.663 26.424 815 1HG1 ILE 18 HG12 ILE 18 29.004 16.419 25.516 816 2HG1 ILE 18 HG11 ILE 18 29.048 15.189 26.762 817 1HG2 ILE 18 HG21 ILE 18 25.403 16.015 24.658 818 2HG2 ILE 18 HG22 ILE 18 26.460 14.746 24.052 819 3HG2 ILE 18 HG23 ILE 18 26.972 16.432 23.976 820 1HD1 ILE 18 HD11 ILE 18 28.458 13.485 24.983 821 2HD1 ILE 18 HD12 ILE 18 30.064 14.200 24.836 822 3HD1 ILE 18 HD13 ILE 18 28.757 14.741 23.783 823 H GLU 19 HN GLU 19 28.935 17.913 26.859 824 HA GLU 19 HA GLU 19 29.919 16.809 29.324 825 1HB GLU 19 HB2 GLU 19 31.389 17.445 27.422 826 2HB GLU 19 HB1 GLU 19 30.974 19.136 27.692 827 1HG GLU 19 HG2 GLU 19 31.957 19.069 29.922 828 2HG GLU 19 HG1 GLU 19 32.262 17.341 29.771 829 H MET 20 HN MET 20 29.098 20.145 28.338 830 HA MET 20 HA MET 20 28.810 20.885 31.186 831 1HB MET 20 HB2 MET 20 28.904 22.691 28.752 832 2HB MET 20 HB1 MET 20 28.979 23.183 30.439 833 1HG MET 20 HG2 MET 20 31.256 23.176 30.024 834 2HG MET 20 HG1 MET 20 31.097 21.462 30.391 835 1HE MET 20 HE1 MET 20 33.467 22.820 28.663 836 2HE MET 20 HE2 MET 20 33.679 21.469 27.551 837 3HE MET 20 HE3 MET 20 33.313 21.157 29.246 838 H ASN 21 HN ASN 21 27.219 23.102 29.348 839 HA ASN 21 HA ASN 21 24.707 21.906 28.821 840 1HB ASN 21 HB2 ASN 21 23.455 22.911 30.765 841 2HB ASN 21 HB1 ASN 21 24.514 21.582 31.214 842 1HD2 ASN 21 HD21 ASN 21 23.760 23.472 33.165 843 2HD2 ASN 21 HD22 ASN 21 25.112 24.407 33.587 844 H GLN 22 HN GLN 22 25.473 23.365 27.049 845 HA GLN 22 HA GLN 22 25.306 26.225 27.496 846 1HB GLN 22 HB2 GLN 22 26.813 25.235 25.789 847 2HB GLN 22 HB1 GLN 22 25.401 24.678 24.890 848 1HG GLN 22 HG2 GLN 22 24.642 26.963 24.565 849 2HG GLN 22 HG1 GLN 22 25.922 27.577 25.609 850 1HE2 GLN 22 HE21 GLN 22 27.637 28.415 24.432 851 2HE2 GLN 22 HE22 GLN 22 28.145 27.856 22.912 852 H SER 23 HN SER 23 23.560 24.227 25.128 853 HA SER 23 HA SER 23 20.963 24.876 26.082 854 1HB SER 23 HB2 SER 23 20.323 26.388 24.164 855 2HB SER 23 HB1 SER 23 21.405 27.122 25.341 856 HG SER 23 HG SER 23 22.284 27.534 23.368 857 H GLU 24 HN GLU 24 20.849 22.596 25.680 858 HA GLU 24 HA GLU 24 19.747 21.943 23.134 859 1HB GLU 24 HB2 GLU 24 22.424 21.979 22.928 860 2HB GLU 24 HB1 GLU 24 22.266 20.381 23.589 861 1HG GLU 24 HG2 GLU 24 22.260 20.127 21.223 862 2HG GLU 24 HG1 GLU 24 20.592 19.859 21.758 863 H ASP 25 HN ASP 25 21.003 19.097 23.675 864 HA ASP 25 HA ASP 25 19.287 18.336 25.992 865 1HB ASP 25 HB2 ASP 25 19.305 17.059 23.235 866 2HB ASP 25 HB1 ASP 25 18.526 16.354 24.655 867 H LYS 26 HN LYS 26 20.667 15.995 23.843 868 HA LYS 26 HA LYS 26 23.159 15.720 25.233 869 1HB LYS 26 HB2 LYS 26 21.582 14.825 26.914 870 2HB LYS 26 HB1 LYS 26 21.064 13.605 25.752 871 1HG LYS 26 HG2 LYS 26 23.387 12.757 25.623 872 2HG LYS 26 HG1 LYS 26 23.893 13.990 26.786 873 1HD LYS 26 HD2 LYS 26 22.308 13.047 28.448 874 2HD LYS 26 HD1 LYS 26 21.850 11.799 27.287 875 1HE LYS 26 HE2 LYS 26 24.157 10.973 27.229 876 2HE LYS 26 HE1 LYS 26 24.650 12.241 28.352 877 1HZ LYS 26 HZ1 LYS 26 24.275 10.522 29.780 878 2HZ LYS 26 HZ2 LYS 26 23.028 9.848 28.844 879 3HZ LYS 26 HZ3 LYS 26 22.737 11.236 29.781 880 H ILE 27 HN ILE 27 21.557 12.813 24.271 881 HA ILE 27 HA ILE 27 23.475 12.284 22.242 882 HB ILE 27 HB ILE 27 20.892 10.985 23.089 883 1HG1 ILE 27 HG12 ILE 27 23.224 10.735 24.271 884 2HG1 ILE 27 HG11 ILE 27 22.264 9.291 23.980 885 1HG2 ILE 27 HG21 ILE 27 20.760 10.554 20.763 886 2HG2 ILE 27 HG22 ILE 27 21.556 9.119 21.407 887 3HG2 ILE 27 HG23 ILE 27 22.508 10.375 20.615 888 1HD1 ILE 27 HD11 ILE 27 23.647 8.567 22.220 889 2HD1 ILE 27 HD12 ILE 27 24.790 9.236 23.380 890 3HD1 ILE 27 HD13 ILE 27 24.335 10.166 21.956 891 H HIS 28 HN HIS 28 20.146 13.491 22.143 892 HA HIS 28 HA HIS 28 19.959 13.446 19.284 893 1HB HIS 28 HB2 HIS 28 18.387 15.130 21.245 894 2HB HIS 28 HB1 HIS 28 17.925 14.710 19.594 895 HD1 HIS 28 HD1 HIS 28 17.446 12.118 19.131 896 HD2 HIS 28 HD2 HIS 28 17.792 13.171 23.150 897 HE1 HIS 28 HE1 HIS 28 16.477 10.193 20.462 898 HE2 HIS 28 HE2 HIS 28 16.680 10.820 22.915 899 H ALA 29 HN ALA 29 21.585 15.461 21.488 900 HA ALA 29 HA ALA 29 21.456 18.018 20.539 901 1HB ALA 29 HB1 ALA 29 23.779 18.300 21.250 902 2HB ALA 29 HB2 ALA 29 24.026 16.556 21.199 903 3HB ALA 29 HB3 ALA 29 22.936 17.258 22.395 904 H MET 30 HN MET 30 23.253 15.325 19.087 905 HA MET 30 HA MET 30 24.465 16.832 17.007 906 1HB MET 30 HB2 MET 30 24.316 14.344 15.911 907 2HB MET 30 HB1 MET 30 25.505 14.757 17.142 908 1HG MET 30 HG2 MET 30 24.229 13.785 18.870 909 2HG MET 30 HG1 MET 30 22.766 13.752 17.891 910 1HE MET 30 HE1 MET 30 21.929 11.841 16.768 911 2HE MET 30 HE2 MET 30 22.255 11.219 18.380 912 3HE MET 30 HE3 MET 30 22.647 10.243 16.970 913 H ASN 31 HN ASN 31 21.485 14.845 17.114 914 HA ASN 31 HA ASN 31 20.746 15.183 14.438 915 1HB ASN 31 HB2 ASN 31 19.656 13.609 16.024 916 2HB ASN 31 HB1 ASN 31 18.895 14.983 16.827 917 1HD2 ASN 31 HD21 ASN 31 17.763 12.664 15.126 918 2HD2 ASN 31 HD22 ASN 31 16.789 13.450 13.979 919 H SER 32 HN SER 32 19.843 17.141 17.277 920 HA SER 32 HA SER 32 18.268 19.024 15.876 921 1HB SER 32 HB2 SER 32 18.213 18.782 18.320 922 2HB SER 32 HB1 SER 32 19.866 19.385 18.422 923 HG SER 32 HG SER 32 19.190 21.358 17.927 924 H TYR 33 HN TYR 33 21.703 19.037 16.765 925 HA TYR 33 HA TYR 33 22.251 21.604 15.598 926 1HB TYR 33 HB2 TYR 33 23.599 20.704 17.438 927 2HB TYR 33 HB1 TYR 33 24.105 19.350 16.423 928 HD1 TYR 33 HD1 TYR 33 25.624 19.684 14.533 929 HD2 TYR 33 HD2 TYR 33 24.440 22.966 17.035 930 HE1 TYR 33 HE1 TYR 33 27.432 21.077 13.557 931 HE2 TYR 33 HE2 TYR 33 26.248 24.363 16.063 932 HH TYR 33 HH TYR 33 27.658 24.522 14.278 933 H TYR 34 HN TYR 34 22.864 18.238 14.631 934 HA TYR 34 HA TYR 34 24.271 18.598 12.301 935 1HB TYR 34 HB2 TYR 34 23.790 16.383 13.267 936 2HB TYR 34 HB1 TYR 34 22.092 16.552 12.819 937 HD1 TYR 34 HD2 TYR 34 21.425 16.550 10.420 938 HD2 TYR 34 HD1 TYR 34 25.491 15.873 11.642 939 HE1 TYR 34 HE2 TYR 34 21.966 15.703 8.153 940 HE2 TYR 34 HE1 TYR 34 26.028 15.033 9.370 941 HH TYR 34 HH TYR 34 25.249 15.049 7.168 942 H ARG 35 HN ARG 35 20.779 18.830 12.813 943 HA ARG 35 HA ARG 35 20.153 19.274 10.052 944 1HB ARG 35 HB2 ARG 35 18.514 18.405 11.713 945 2HB ARG 35 HB1 ARG 35 18.528 19.980 12.505 946 1HG ARG 35 HG2 ARG 35 17.726 21.052 10.442 947 2HG ARG 35 HG1 ARG 35 17.767 19.499 9.607 948 1HD ARG 35 HD2 ARG 35 16.096 20.080 12.065 949 2HD ARG 35 HD1 ARG 35 15.487 20.122 10.413 950 HE ARG 35 HE ARG 35 16.714 17.628 10.812 951 1HH1 ARG 35 HH21 ARG 35 14.035 19.503 11.943 952 2HH1 ARG 35 HH22 ARG 35 13.048 18.128 12.310 953 1HH2 ARG 35 HH11 ARG 35 15.426 15.819 11.293 954 2HH2 ARG 35 HH12 ARG 35 13.836 16.042 11.942 955 H SER 36 HN SER 36 21.064 21.299 12.766 956 HA SER 36 HA SER 36 20.186 23.781 11.773 957 1HB SER 36 HB2 SER 36 21.033 23.332 14.114 958 2HB SER 36 HB1 SER 36 22.665 23.338 13.454 959 HG SER 36 HG SER 36 21.177 25.404 14.147 960 H VAL 37 HN VAL 37 23.241 22.024 11.339 961 HA VAL 37 HA VAL 37 24.444 24.080 9.729 962 HB VAL 37 HB VAL 37 25.157 21.151 10.032 963 1HG1 VAL 37 HG11 VAL 37 26.630 23.485 8.773 964 2HG1 VAL 37 HG12 VAL 37 26.157 21.976 7.987 965 3HG1 VAL 37 HG13 VAL 37 27.421 21.973 9.217 966 1HG2 VAL 37 HG21 VAL 37 26.954 22.137 11.509 967 2HG2 VAL 37 HG22 VAL 37 25.319 22.304 12.147 968 3HG2 VAL 37 HG23 VAL 37 26.119 23.686 11.395 969 H VAL 38 HN VAL 38 22.801 21.013 9.053 970 HA VAL 38 HA VAL 38 23.202 20.897 6.293 971 HB VAL 38 HB VAL 38 20.738 20.077 7.846 972 1HG1 VAL 38 HG11 VAL 38 20.473 18.427 5.927 973 2HG1 VAL 38 HG12 VAL 38 21.677 19.370 5.051 974 3HG1 VAL 38 HG13 VAL 38 20.150 20.112 5.527 975 1HG2 VAL 38 HG21 VAL 38 22.665 17.974 6.985 976 2HG2 VAL 38 HG22 VAL 38 21.852 18.192 8.525 977 3HG2 VAL 38 HG23 VAL 38 23.321 19.094 8.178 978 H SER 39 HN SER 39 20.587 22.531 8.087 979 HA SER 39 HA SER 39 19.145 23.472 5.874 980 1HB SER 39 HB2 SER 39 18.293 23.566 8.177 981 2HB SER 39 HB1 SER 39 19.508 24.778 8.580 982 HG SER 39 HG SER 39 18.139 26.172 7.830 983 H THR 40 HN THR 40 21.886 24.877 7.625 984 HA THR 40 HA THR 40 21.934 27.301 6.100 985 HB THR 40 HB THR 40 24.173 26.039 7.685 986 HG1 THR 40 HG1 THR 40 23.168 26.688 9.398 987 1HG2 THR 40 HG21 THR 40 24.959 27.839 6.267 988 2HG2 THR 40 HG22 THR 40 24.867 28.442 7.921 989 3HG2 THR 40 HG23 THR 40 23.614 28.870 6.758 990 H LEU 41 HN LEU 41 23.802 24.284 6.011 991 HA LEU 41 HA LEU 41 25.612 24.953 4.014 992 1HB LEU 41 HB2 LEU 41 24.714 22.510 5.309 993 2HB LEU 41 HB1 LEU 41 24.944 22.199 3.595 994 HG LEU 41 HG LEU 41 27.016 21.783 4.831 995 1HD1 LEU 41 HD11 LEU 41 28.236 22.539 3.071 996 2HD1 LEU 41 HD12 LEU 41 27.928 24.225 3.450 997 3HD1 LEU 41 HD13 LEU 41 26.770 23.310 2.490 998 1HD2 LEU 41 HD21 LEU 41 27.501 24.651 5.510 999 2HD2 LEU 41 HD22 LEU 41 27.880 23.194 6.424 1000 3HD2 LEU 41 HD23 LEU 41 26.256 23.860 6.475 1001 H VAL 42 HN VAL 42 22.239 24.102 3.760 1002 HA VAL 42 HA VAL 42 22.379 23.914 0.829 1003 HB VAL 42 HB VAL 42 20.061 23.649 2.761 1004 1HG1 VAL 42 HG11 VAL 42 19.165 24.388 0.655 1005 2HG1 VAL 42 HG12 VAL 42 18.952 22.641 0.697 1006 3HG1 VAL 42 HG13 VAL 42 20.257 23.342 -0.253 1007 1HG2 VAL 42 HG21 VAL 42 21.563 21.575 1.122 1008 2HG2 VAL 42 HG22 VAL 42 20.281 21.262 2.298 1009 3HG2 VAL 42 HG23 VAL 42 21.845 21.876 2.838 1010 H GLN 43 HN GLN 43 21.464 26.157 3.347 1011 HA GLN 43 HA GLN 43 19.966 27.927 1.645 1012 1HB GLN 43 HB2 GLN 43 19.794 27.751 4.194 1013 2HB GLN 43 HB1 GLN 43 21.305 28.651 4.264 1014 1HG GLN 43 HG2 GLN 43 19.503 30.239 4.475 1015 2HG GLN 43 HG1 GLN 43 20.205 30.450 2.875 1016 1HE2 GLN 43 HE21 GLN 43 18.090 31.334 2.120 1017 2HE2 GLN 43 HE22 GLN 43 16.800 30.278 1.799 1018 H ASP 44 HN ASP 44 23.321 27.418 2.305 1019 HA ASP 44 HA ASP 44 24.200 30.048 1.463 1020 1HB ASP 44 HB2 ASP 44 26.449 29.129 1.642 1021 2HB ASP 44 HB1 ASP 44 25.515 28.693 3.072 1022 H GLN 45 HN GLN 45 26.164 29.792 -0.246 1023 HA GLN 45 HA GLN 45 25.125 29.726 -2.768 1024 1HB GLN 45 HB2 GLN 45 27.390 29.415 -3.593 1025 2HB GLN 45 HB1 GLN 45 27.420 30.470 -2.181 1026 1HG GLN 45 HG2 GLN 45 27.944 28.434 -0.773 1027 2HG GLN 45 HG1 GLN 45 28.123 27.511 -2.267 1028 1HE2 GLN 45 HE21 GLN 45 30.437 27.233 -1.519 1029 2HE2 GLN 45 HE22 GLN 45 31.546 28.473 -1.852 1030 H LEU 46 HN LEU 46 24.740 28.240 -4.349 1031 HA LEU 46 HA LEU 46 25.016 25.364 -3.639 1032 1HB LEU 46 HB2 LEU 46 22.756 26.913 -4.889 1033 2HB LEU 46 HB1 LEU 46 22.891 25.171 -5.126 1034 HG LEU 46 HG LEU 46 23.023 26.288 -2.315 1035 1HD1 LEU 46 HD11 LEU 46 20.538 26.028 -2.156 1036 2HD1 LEU 46 HD12 LEU 46 20.481 25.826 -3.907 1037 3HD1 LEU 46 HD13 LEU 46 21.029 27.351 -3.212 1038 1HD2 LEU 46 HD21 LEU 46 22.123 24.130 -1.701 1039 2HD2 LEU 46 HD22 LEU 46 23.424 23.829 -2.849 1040 3HD2 LEU 46 HD23 LEU 46 21.748 23.739 -3.378 1041 H THR 47 HN THR 47 27.140 26.146 -4.825 1042 HA THR 47 HA THR 47 27.097 26.475 -7.622 1043 HB THR 47 HB THR 47 29.117 27.063 -6.511 1044 HG1 THR 47 HG1 THR 47 29.285 25.789 -8.503 1045 1HG2 THR 47 HG21 THR 47 28.895 25.809 -4.465 1046 2HG2 THR 47 HG22 THR 47 30.411 25.318 -5.215 1047 3HG2 THR 47 HG23 THR 47 28.995 24.279 -5.333 1048 H LYS 48 HN LYS 48 26.972 23.666 -5.551 1049 HA LYS 48 HA LYS 48 26.036 21.997 -7.668 1050 1HB LYS 48 HB2 LYS 48 28.538 22.092 -8.088 1051 2HB LYS 48 HB1 LYS 48 28.746 21.290 -6.539 1052 1HG LYS 48 HG2 LYS 48 28.719 19.449 -7.973 1053 2HG LYS 48 HG1 LYS 48 27.020 19.535 -7.531 1054 1HD LYS 48 HD2 LYS 48 26.601 20.876 -9.614 1055 2HD LYS 48 HD1 LYS 48 28.291 20.650 -10.051 1056 1HE LYS 48 HE2 LYS 48 27.974 18.212 -10.069 1057 2HE LYS 48 HE1 LYS 48 26.286 18.423 -9.593 1058 1HZ LYS 48 HZ1 LYS 48 27.159 19.944 -11.905 1059 2HZ LYS 48 HZ2 LYS 48 25.699 19.119 -11.634 1060 3HZ LYS 48 HZ3 LYS 48 27.084 18.264 -12.125 1061 H ASN 49 HN ASN 49 24.692 20.580 -6.764 1062 HA ASN 49 HA ASN 49 24.113 20.345 -4.088 1063 1HB ASN 49 HB2 ASN 49 23.157 18.082 -4.673 1064 2HB ASN 49 HB1 ASN 49 22.615 19.408 -5.700 1065 1HD2 ASN 49 HD21 ASN 49 22.186 17.728 -7.392 1066 2HD2 ASN 49 HD22 ASN 49 23.477 17.135 -8.320 1067 H ALA 50 HN ALA 50 26.706 18.804 -5.869 1068 HA ALA 50 HA ALA 50 27.332 16.843 -3.888 1069 1HB ALA 50 HB1 ALA 50 29.086 17.985 -6.061 1070 2HB ALA 50 HB2 ALA 50 28.018 16.593 -6.240 1071 3HB ALA 50 HB3 ALA 50 29.393 16.514 -5.139 1072 H VAL 51 HN VAL 51 28.819 19.943 -4.833 1073 HA VAL 51 HA VAL 51 30.893 20.091 -3.010 1074 HB VAL 51 HB VAL 51 29.128 22.235 -4.172 1075 1HG1 VAL 51 HG11 VAL 51 30.987 23.856 -3.378 1076 2HG1 VAL 51 HG12 VAL 51 31.429 22.588 -2.232 1077 3HG1 VAL 51 HG13 VAL 51 29.824 23.314 -2.168 1078 1HG2 VAL 51 HG21 VAL 51 30.849 20.893 -5.553 1079 2HG2 VAL 51 HG22 VAL 51 32.085 21.755 -4.642 1080 3HG2 VAL 51 HG23 VAL 51 30.949 22.651 -5.652 1081 H VAL 52 HN VAL 52 27.513 21.059 -2.488 1082 HA VAL 52 HA VAL 52 27.955 21.863 0.239 1083 HB VAL 52 HB VAL 52 25.438 21.897 0.352 1084 1HG1 VAL 52 HG11 VAL 52 25.199 23.728 -1.246 1085 2HG1 VAL 52 HG12 VAL 52 26.606 23.168 -2.151 1086 3HG1 VAL 52 HG13 VAL 52 26.804 23.817 -0.524 1087 1HG2 VAL 52 HG21 VAL 52 24.979 20.018 -1.166 1088 2HG2 VAL 52 HG22 VAL 52 25.725 20.894 -2.497 1089 3HG2 VAL 52 HG23 VAL 52 24.228 21.485 -1.791 1090 H LEU 53 HN LEU 53 26.910 18.915 -1.369 1091 HA LEU 53 HA LEU 53 26.048 17.524 0.960 1092 1HB LEU 53 HB2 LEU 53 26.746 16.798 -1.822 1093 2HB LEU 53 HB1 LEU 53 26.657 15.480 -0.677 1094 HG LEU 53 HG LEU 53 24.428 17.502 -1.092 1095 1HD1 LEU 53 HD11 LEU 53 23.316 15.796 -2.480 1096 2HD1 LEU 53 HD12 LEU 53 24.698 14.716 -2.292 1097 3HD1 LEU 53 HD13 LEU 53 24.874 16.224 -3.183 1098 1HD2 LEU 53 HD21 LEU 53 24.023 16.454 0.995 1099 2HD2 LEU 53 HD22 LEU 53 24.690 14.913 0.468 1100 3HD2 LEU 53 HD23 LEU 53 23.113 15.436 -0.111 1101 H LYS 54 HN LYS 54 29.186 18.078 -0.457 1102 HA LYS 54 HA LYS 54 30.657 15.977 0.646 1103 1HB LYS 54 HB2 LYS 54 31.380 18.853 0.070 1104 2HB LYS 54 HB1 LYS 54 32.566 17.737 0.739 1105 1HG LYS 54 HG2 LYS 54 32.259 16.227 -1.160 1106 2HG LYS 54 HG1 LYS 54 31.019 17.284 -1.824 1107 1HD LYS 54 HD2 LYS 54 32.673 19.117 -1.958 1108 2HD LYS 54 HD1 LYS 54 33.913 18.020 -1.361 1109 1HE LYS 54 HE2 LYS 54 34.013 18.120 -3.810 1110 2HE LYS 54 HE1 LYS 54 33.501 16.517 -3.289 1111 1HZ LYS 54 HZ1 LYS 54 31.461 18.553 -3.840 1112 2HZ LYS 54 HZ2 LYS 54 31.364 16.864 -3.978 1113 3HZ LYS 54 HZ3 LYS 54 32.204 17.768 -5.144 1114 H ARG 55 HN ARG 55 29.740 19.082 2.119 1115 HA ARG 55 HA ARG 55 31.070 18.588 4.592 1116 1HB ARG 55 HB2 ARG 55 28.768 20.427 3.913 1117 2HB ARG 55 HB1 ARG 55 29.628 20.432 5.450 1118 1HG ARG 55 HG2 ARG 55 31.769 20.672 3.788 1119 2HG ARG 55 HG1 ARG 55 30.545 21.404 2.756 1120 1HD ARG 55 HD2 ARG 55 29.949 22.942 4.640 1121 2HD ARG 55 HD1 ARG 55 31.262 22.242 5.580 1122 HE ARG 55 HE ARG 55 32.074 23.270 2.981 1123 1HH1 ARG 55 HH21 ARG 55 31.516 23.925 6.333 1124 2HH1 ARG 55 HH22 ARG 55 32.589 25.283 6.390 1125 1HH2 ARG 55 HH11 ARG 55 33.482 25.055 3.047 1126 2HH2 ARG 55 HH12 ARG 55 33.702 25.922 4.530 1127 H ILE 56 HN ILE 56 27.778 18.005 3.414 1128 HA ILE 56 HA ILE 56 26.650 17.258 5.894 1129 HB ILE 56 HB ILE 56 25.896 16.209 3.161 1130 1HG1 ILE 56 HG12 ILE 56 26.011 18.607 3.038 1131 2HG1 ILE 56 HG11 ILE 56 24.326 18.149 3.105 1132 1HG2 ILE 56 HG21 ILE 56 23.637 16.106 4.160 1133 2HG2 ILE 56 HG22 ILE 56 24.316 16.593 5.712 1134 3HG2 ILE 56 HG23 ILE 56 24.783 15.053 4.987 1135 1HD1 ILE 56 HD11 ILE 56 26.029 19.459 5.219 1136 2HD1 ILE 56 HD12 ILE 56 24.563 18.585 5.664 1137 3HD1 ILE 56 HD13 ILE 56 24.472 19.962 4.571 1138 H GLN 57 HN GLN 57 27.958 15.228 3.257 1139 HA GLN 57 HA GLN 57 27.681 12.750 4.516 1140 1HB GLN 57 HB2 GLN 57 29.780 13.689 2.544 1141 2HB GLN 57 HB1 GLN 57 29.488 12.003 2.976 1142 1HG GLN 57 HG2 GLN 57 27.145 12.223 2.209 1143 2HG GLN 57 HG1 GLN 57 27.467 13.893 1.745 1144 1HE2 GLN 57 HE21 GLN 57 27.366 10.767 0.511 1145 2HE2 GLN 57 HE22 GLN 57 28.366 10.992 -0.842 1146 H HIS 58 HN HIS 58 30.243 15.178 4.724 1147 HA HIS 58 HA HIS 58 31.995 13.546 6.321 1148 1HB HIS 58 HB2 HIS 58 31.934 16.525 5.751 1149 2HB HIS 58 HB1 HIS 58 33.189 15.738 6.710 1150 HD1 HIS 58 HD1 HIS 58 33.441 13.135 5.008 1151 HD2 HIS 58 HD2 HIS 58 33.439 16.990 3.418 1152 HE1 HIS 58 HE1 HIS 58 34.600 12.984 2.761 1153 HE2 HIS 58 HE2 HIS 58 34.606 15.326 1.779 1154 H LEU 59 HN LEU 59 29.701 16.183 6.985 1155 HA LEU 59 HA LEU 59 30.185 16.503 9.714 1156 1HB LEU 59 HB2 LEU 59 28.677 17.945 8.301 1157 2HB LEU 59 HB1 LEU 59 27.471 16.667 8.385 1158 HG LEU 59 HG LEU 59 27.554 16.836 10.901 1159 1HD1 LEU 59 HD11 LEU 59 29.543 17.818 11.566 1160 2HD1 LEU 59 HD12 LEU 59 28.469 19.210 11.647 1161 3HD1 LEU 59 HD13 LEU 59 29.533 19.000 10.257 1162 1HD2 LEU 59 HD21 LEU 59 25.806 17.933 9.573 1163 2HD2 LEU 59 HD22 LEU 59 26.816 19.370 9.415 1164 3HD2 LEU 59 HD23 LEU 59 26.212 18.884 10.999 1165 H ASP 60 HN ASP 60 28.443 13.998 8.005 1166 HA ASP 60 HA ASP 60 26.882 12.889 10.017 1167 1HB ASP 60 HB2 ASP 60 28.453 11.480 7.841 1168 2HB ASP 60 HB1 ASP 60 27.228 10.703 8.839 1169 H GLU 61 HN GLU 61 30.351 12.531 9.438 1170 HA GLU 61 HA GLU 61 30.943 10.477 11.210 1171 1HB GLU 61 HB2 GLU 61 33.186 11.192 11.101 1172 2HB GLU 61 HB1 GLU 61 32.490 11.775 9.589 1173 1HG GLU 61 HG2 GLU 61 32.045 13.992 10.900 1174 2HG GLU 61 HG1 GLU 61 33.174 13.355 12.084 1175 H ALA 62 HN ALA 62 30.135 13.822 11.855 1176 HA ALA 62 HA ALA 62 31.039 13.855 14.550 1177 1HB ALA 62 HB1 ALA 62 28.910 15.571 13.266 1178 2HB ALA 62 HB2 ALA 62 30.636 15.928 13.248 1179 3HB ALA 62 HB3 ALA 62 29.752 15.915 14.775 1180 H TYR 63 HN TYR 63 27.781 13.575 13.131 1181 HA TYR 63 HA TYR 63 26.336 13.238 15.432 1182 1HB TYR 63 HB2 TYR 63 24.761 13.190 13.772 1183 2HB TYR 63 HB1 TYR 63 25.951 12.654 12.592 1184 HD1 TYR 63 HD2 TYR 63 26.509 10.222 12.392 1185 HD2 TYR 63 HD1 TYR 63 23.229 11.598 14.792 1186 HE1 TYR 63 HE2 TYR 63 25.588 7.924 12.445 1187 HE2 TYR 63 HE1 TYR 63 22.305 9.294 14.851 1188 HH TYR 63 HH TYR 63 22.422 7.230 13.760 1189 H ASN 64 HN ASN 64 28.241 10.860 13.654 1190 HA ASN 64 HA ASN 64 27.427 8.593 15.213 1191 1HB ASN 64 HB2 ASN 64 28.267 8.372 12.916 1192 2HB ASN 64 HB1 ASN 64 29.846 8.959 13.437 1193 1HD2 ASN 64 HD21 ASN 64 30.945 6.928 12.984 1194 2HD2 ASN 64 HD22 ASN 64 30.649 5.529 13.899 1195 H LYS 65 HN LYS 65 30.133 10.839 15.297 1196 HA LYS 65 HA LYS 65 31.695 9.485 17.215 1197 1HB LYS 65 HB2 LYS 65 31.450 12.357 16.354 1198 2HB LYS 65 HB1 LYS 65 32.537 11.920 17.666 1199 1HG LYS 65 HG2 LYS 65 32.702 10.378 15.069 1200 2HG LYS 65 HG1 LYS 65 33.419 11.982 15.151 1201 1HD LYS 65 HD2 LYS 65 34.774 11.298 17.080 1202 2HD LYS 65 HD1 LYS 65 34.050 9.692 17.033 1203 1HE LYS 65 HE2 LYS 65 34.941 9.348 14.760 1204 2HE LYS 65 HE1 LYS 65 35.659 10.959 14.795 1205 1HZ LYS 65 HZ1 LYS 65 37.113 8.979 15.442 1206 2HZ LYS 65 HZ2 LYS 65 36.248 8.985 16.903 1207 3HZ LYS 65 HZ3 LYS 65 37.148 10.350 16.442 1208 H VAL 66 HN VAL 66 29.040 11.819 17.552 1209 HA VAL 66 HA VAL 66 29.286 12.239 20.318 1210 HB VAL 66 HB VAL 66 26.825 12.313 18.532 1211 1HG1 VAL 66 HG11 VAL 66 25.953 13.815 20.453 1212 2HG1 VAL 66 HG12 VAL 66 27.210 13.075 21.439 1213 3HG1 VAL 66 HG13 VAL 66 25.946 12.073 20.727 1214 1HG2 VAL 66 HG21 VAL 66 28.786 14.410 19.528 1215 2HG2 VAL 66 HG22 VAL 66 27.233 14.810 18.800 1216 3HG2 VAL 66 HG23 VAL 66 28.449 13.950 17.859 1217 H LYS 67 HN LYS 67 27.284 9.902 18.527 1218 HA LYS 67 HA LYS 67 26.324 8.605 20.908 1219 1HB LYS 67 HB2 LYS 67 26.398 7.684 18.034 1220 2HB LYS 67 HB1 LYS 67 25.487 6.908 19.326 1221 1HG LYS 67 HG2 LYS 67 24.723 9.625 19.526 1222 2HG LYS 67 HG1 LYS 67 24.840 9.347 17.794 1223 1HD LYS 67 HD2 LYS 67 23.274 7.559 19.684 1224 2HD LYS 67 HD1 LYS 67 22.557 8.905 18.815 1225 1HE LYS 67 HE2 LYS 67 23.329 7.868 16.669 1226 2HE LYS 67 HE1 LYS 67 23.863 6.467 17.595 1227 1HZ LYS 67 HZ1 LYS 67 21.089 7.486 17.771 1228 2HZ LYS 67 HZ2 LYS 67 21.684 5.960 18.225 1229 3HZ LYS 67 HZ3 LYS 67 21.554 6.370 16.582 1230 H ARG 68 HN ARG 68 28.689 7.704 18.415 1231 HA ARG 68 HA ARG 68 29.446 5.245 19.461 1232 1HB ARG 68 HB2 ARG 68 30.046 6.158 17.198 1233 2HB ARG 68 HB1 ARG 68 31.235 7.196 17.985 1234 1HG ARG 68 HG2 ARG 68 32.420 5.266 18.852 1235 2HG ARG 68 HG1 ARG 68 31.179 4.179 18.237 1236 1HD ARG 68 HD2 ARG 68 33.027 4.129 16.686 1237 2HD ARG 68 HD1 ARG 68 31.696 4.993 15.923 1238 HE ARG 68 HE ARG 68 32.979 6.932 15.963 1239 1HH1 ARG 68 HH21 ARG 68 34.342 4.502 18.015 1240 2HH1 ARG 68 HH22 ARG 68 35.805 5.380 18.310 1241 1HH2 ARG 68 HH11 ARG 68 34.891 8.088 16.348 1242 2HH2 ARG 68 HH12 ARG 68 36.117 7.409 17.367 1243 H GLY 69 HN GLY 69 30.389 8.505 20.313 1244 1HA GLY 69 HA2 GLY 69 32.596 7.738 21.992 1245 2HA GLY 69 HA1 GLY 69 31.851 9.328 21.874 1246 H GLU 70 HN GLU 70 29.211 7.687 22.303 1247 HA GLU 70 HA GLU 70 29.298 7.867 25.260 1248 1HB GLU 70 HB2 GLU 70 27.027 7.995 23.265 1249 2HB GLU 70 HB1 GLU 70 26.791 7.958 25.013 1250 1HG GLU 70 HG2 GLU 70 28.619 10.011 23.745 1251 2HG GLU 70 HG1 GLU 70 26.885 10.291 23.832 1252 H SER 71 HN SER 71 27.358 6.362 26.129 1253 HA SER 71 HA SER 71 26.931 4.195 26.787 1254 1HB SER 71 HB2 SER 71 26.094 2.769 25.042 1255 2HB SER 71 HB1 SER 71 25.640 4.421 24.634 1256 HG SER 71 HG SER 71 27.035 4.417 23.017 1257 H LYS 72 HN LYS 72 27.653 1.786 25.320 1258 HA LYS 72 HA LYS 72 29.335 0.210 25.412 1259 1HB LYS 72 HB2 LYS 72 30.868 2.613 24.387 1260 2HB LYS 72 HB1 LYS 72 31.505 0.969 24.402 1261 1HG LYS 72 HG2 LYS 72 29.651 0.216 22.972 1262 2HG LYS 72 HG1 LYS 72 28.972 1.844 22.980 1263 1HD LYS 72 HD2 LYS 72 31.045 2.700 21.918 1264 2HD LYS 72 HD1 LYS 72 31.683 1.056 21.868 1265 1HE LYS 72 HE2 LYS 72 29.137 1.997 20.512 1266 2HE LYS 72 HE1 LYS 72 30.671 1.674 19.701 1267 1HZ LYS 72 HZ1 LYS 72 29.415 -0.269 19.460 1268 2HZ LYS 72 HZ2 LYS 72 28.883 -0.245 21.073 1269 3HZ LYS 72 HZ3 LYS 72 30.500 -0.620 20.714 1270 H LEU 73 HN LEU 73 31.571 2.832 26.093 1271 HA LEU 73 HA LEU 73 32.511 1.510 28.493 1272 1HB LEU 73 HB2 LEU 73 33.308 4.240 27.454 1273 2HB LEU 73 HB1 LEU 73 34.240 3.169 28.501 1274 HG LEU 73 HG LEU 73 33.485 2.637 25.610 1275 1HD1 LEU 73 HD11 LEU 73 35.930 2.830 25.233 1276 2HD1 LEU 73 HD12 LEU 73 36.144 3.258 26.932 1277 3HD1 LEU 73 HD13 LEU 73 35.237 4.326 25.860 1278 1HD2 LEU 73 HD21 LEU 73 35.158 0.691 25.961 1279 2HD2 LEU 73 HD22 LEU 73 33.555 0.496 26.657 1280 3HD2 LEU 73 HD23 LEU 73 34.912 0.949 27.689 1281 H GLU 74 HN GLU 74 29.892 3.400 27.903 1282 HA GLU 74 HA GLU 74 28.495 4.688 29.182 1283 1HB GLU 74 HB2 GLU 74 29.971 3.223 31.379 1284 2HB GLU 74 HB1 GLU 74 28.525 4.195 31.636 1285 1HG GLU 74 HG2 GLU 74 27.266 2.758 30.093 1286 2HG GLU 74 HG1 GLU 74 28.714 1.802 29.784 1287 H HIS 75 HN HIS 75 31.559 5.382 28.762 1288 HA HIS 75 HA HIS 75 32.919 7.177 29.171 1289 1HB HIS 75 HB2 HIS 75 30.890 8.426 28.467 1290 2HB HIS 75 HB1 HIS 75 30.367 8.487 30.148 1291 HD1 HIS 75 HD1 HIS 75 33.400 9.502 28.070 1292 HD2 HIS 75 HD2 HIS 75 31.364 10.664 31.518 1293 HE1 HIS 75 HE1 HIS 75 34.512 11.629 28.877 1294 HE2 HIS 75 HE2 HIS 75 33.284 12.351 30.977 1295 H HIS 76 HN HIS 76 34.194 8.054 30.810 1296 HA HIS 76 HA HIS 76 33.751 6.909 33.480 1297 1HB HIS 76 HB2 HIS 76 36.114 8.403 32.314 1298 2HB HIS 76 HB1 HIS 76 36.061 7.654 33.910 1299 HD1 HIS 76 HD1 HIS 76 35.332 4.949 33.765 1300 HD2 HIS 76 HD2 HIS 76 37.078 6.677 30.397 1301 HE1 HIS 76 HE1 HIS 76 36.186 3.037 32.340 1302 HE2 HIS 76 HE2 HIS 76 37.254 4.075 30.283 1303 H HIS 77 HN HIS 77 33.407 8.082 35.300 1304 HA HIS 77 HA HIS 77 33.486 11.018 35.213 1305 1HB HIS 77 HB2 HIS 77 31.185 11.202 36.074 1306 2HB HIS 77 HB1 HIS 77 31.211 10.467 34.471 1307 HD1 HIS 77 HD1 HIS 77 31.112 7.744 34.473 1308 HD2 HIS 77 HD2 HIS 77 29.954 9.633 38.003 1309 HE1 HIS 77 HE1 HIS 77 29.825 6.026 35.815 1310 HE2 HIS 77 HE2 HIS 77 29.111 7.163 37.972 1311 H HIS 78 HN HIS 78 34.276 8.243 36.714 1312 HA HIS 78 HA HIS 78 33.644 8.730 39.433 1313 1HB HIS 78 HB2 HIS 78 34.375 6.527 38.574 1314 2HB HIS 78 HB1 HIS 78 35.980 7.192 38.268 1315 HD1 HIS 78 HD1 HIS 78 33.567 6.888 41.216 1316 HD2 HIS 78 HD2 HIS 78 37.663 6.918 40.439 1317 HE1 HIS 78 HE1 HIS 78 34.721 6.469 43.432 1318 HE2 HIS 78 HE2 HIS 78 37.218 6.484 42.974 1319 H HIS 79 HN HIS 79 36.468 9.540 37.438 1320 HA HIS 79 HA HIS 79 38.058 10.653 39.479 1321 1HB HIS 79 HB2 HIS 79 37.943 11.270 36.515 1322 2HB HIS 79 HB1 HIS 79 39.203 11.852 37.602 1323 HD1 HIS 79 HD1 HIS 79 38.013 8.803 35.817 1324 HD2 HIS 79 HD2 HIS 79 40.949 9.788 38.608 1325 HE1 HIS 79 HE1 HIS 79 39.581 6.818 35.937 1326 HE2 HIS 79 HE2 HIS 79 41.377 7.402 37.635 1327 H HIS 80 HN HIS 80 35.610 12.094 37.356 1328 HA HIS 80 HA HIS 80 34.948 14.115 39.254 1329 1HB HIS 80 HB2 HIS 80 35.701 16.073 37.951 1330 2HB HIS 80 HB1 HIS 80 37.063 15.093 38.495 1331 HD1 HIS 80 HD1 HIS 80 37.981 13.315 36.632 1332 HD2 HIS 80 HD2 HIS 80 35.632 16.450 35.204 1333 HE1 HIS 80 HE1 HIS 80 38.395 13.442 34.138 1334 HE2 HIS 80 HE2 HIS 80 36.970 15.348 33.251 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -2.499 -1.081 -2.752 2 2H MET 1 HT2 MET 1 -1.478 -2.357 -2.287 3 3H MET 1 HT3 MET 1 -2.602 -2.578 -3.542 4 HA MET 1 HA MET 1 -0.347 -2.292 -4.399 5 1HB MET 1 HB2 MET 1 -2.336 -0.068 -4.954 6 2HB MET 1 HB1 MET 1 -0.919 -0.394 -5.953 7 1HG MET 1 HG2 MET 1 -1.738 -2.681 -6.382 8 2HG MET 1 HG1 MET 1 -3.152 -2.366 -5.376 9 1HE MET 1 HE1 MET 1 -3.655 -3.520 -7.874 10 2HE MET 1 HE2 MET 1 -4.693 -2.508 -8.875 11 3HE MET 1 HE3 MET 1 -5.079 -2.740 -7.171 12 H SER 2 HN SER 2 -1.035 -0.563 -1.703 13 HA SER 2 HA SER 2 0.050 1.045 -0.469 14 1HB SER 2 HB2 SER 2 2.423 0.884 -0.437 15 2HB SER 2 HB1 SER 2 1.868 -0.719 -0.912 16 HG SER 2 HG SER 2 2.283 -0.165 -3.060 17 H GLU 3 HN GLU 3 -0.865 2.971 -1.044 18 HA GLU 3 HA GLU 3 0.109 4.373 -3.457 19 1HB GLU 3 HB2 GLU 3 -2.405 4.124 -2.812 20 2HB GLU 3 HB1 GLU 3 -2.083 5.377 -1.618 21 1HG GLU 3 HG2 GLU 3 -1.541 5.642 -4.600 22 2HG GLU 3 HG1 GLU 3 -2.951 6.296 -3.772 23 H LEU 4 HN LEU 4 1.765 5.680 -3.255 24 HA LEU 4 HA LEU 4 1.974 7.487 -0.952 25 1HB LEU 4 HB2 LEU 4 4.446 6.955 -0.798 26 2HB LEU 4 HB1 LEU 4 3.372 5.698 -0.190 27 HG LEU 4 HG LEU 4 4.070 5.484 -3.106 28 1HD1 LEU 4 HD11 LEU 4 6.247 4.383 -2.608 29 2HD1 LEU 4 HD12 LEU 4 6.124 4.949 -0.941 30 3HD1 LEU 4 HD13 LEU 4 6.259 6.111 -2.260 31 1HD2 LEU 4 HD21 LEU 4 2.691 3.818 -1.798 32 2HD2 LEU 4 HD22 LEU 4 4.148 3.419 -0.884 33 3HD2 LEU 4 HD23 LEU 4 4.088 3.125 -2.622 34 H PHE 5 HN PHE 5 1.836 7.122 -4.169 35 HA PHE 5 HA PHE 5 3.961 8.671 -5.173 36 1HB PHE 5 HB2 PHE 5 1.140 8.373 -6.231 37 2HB PHE 5 HB1 PHE 5 2.509 9.018 -7.135 38 HD1 PHE 5 HD2 PHE 5 4.446 7.565 -7.708 39 HD2 PHE 5 HD1 PHE 5 0.911 5.993 -5.842 40 HE1 PHE 5 HE2 PHE 5 5.144 5.266 -8.322 41 HE2 PHE 5 HE1 PHE 5 1.609 3.694 -6.456 42 HZ PHE 5 HZ PHE 5 3.726 3.330 -7.696 43 H SER 6 HN SER 6 0.719 9.556 -4.045 44 HA SER 6 HA SER 6 0.972 12.334 -4.647 45 1HB SER 6 HB2 SER 6 -0.896 11.217 -2.550 46 2HB SER 6 HB1 SER 6 -1.186 12.504 -3.718 47 HG SER 6 HG SER 6 -1.705 11.079 -5.165 48 H VAL 7 HN VAL 7 1.860 13.948 -3.458 49 HA VAL 7 HA VAL 7 3.554 13.372 -1.283 50 HB VAL 7 HB VAL 7 2.586 16.201 -1.505 51 1HG1 VAL 7 HG11 VAL 7 4.952 16.717 -1.427 52 2HG1 VAL 7 HG12 VAL 7 5.376 15.025 -1.666 53 3HG1 VAL 7 HG13 VAL 7 4.594 15.535 -0.169 54 1HG2 VAL 7 HG21 VAL 7 2.409 15.672 -3.841 55 2HG2 VAL 7 HG22 VAL 7 3.908 14.742 -3.809 56 3HG2 VAL 7 HG23 VAL 7 3.952 16.498 -3.639 57 HA PRO 8 HA PRO 8 -0.114 15.407 1.340 58 1HB PRO 8 HB2 PRO 8 -2.250 13.862 -0.142 59 2HB PRO 8 HB1 PRO 8 -2.374 15.434 0.683 60 1HG PRO 8 HG2 PRO 8 -2.211 15.350 -1.954 61 2HG PRO 8 HG1 PRO 8 -1.285 16.565 -1.047 62 1HD PRO 8 HD2 PRO 8 -0.312 14.024 -2.307 63 2HD PRO 8 HD1 PRO 8 0.490 15.600 -2.238 64 H TYR 9 HN TYR 9 0.161 12.178 -0.030 65 HA TYR 9 HA TYR 9 -1.024 10.700 2.062 66 1HB TYR 9 HB2 TYR 9 -0.517 9.721 -0.140 67 2HB TYR 9 HB1 TYR 9 1.210 9.880 0.182 68 HD1 TYR 9 HD1 TYR 9 -1.924 8.423 1.603 69 HD2 TYR 9 HD2 TYR 9 2.349 8.094 1.295 70 HE1 TYR 9 HE1 TYR 9 -2.004 6.249 2.794 71 HE2 TYR 9 HE2 TYR 9 2.267 5.916 2.470 72 HH TYR 9 HH TYR 9 0.001 4.039 2.721 73 H PHE 10 HN PHE 10 2.309 11.801 1.542 74 HA PHE 10 HA PHE 10 3.490 10.486 3.726 75 1HB PHE 10 HB2 PHE 10 4.192 12.726 1.910 76 2HB PHE 10 HB1 PHE 10 4.940 12.874 3.496 77 HD1 PHE 10 HD2 PHE 10 4.100 9.832 1.461 78 HD2 PHE 10 HD1 PHE 10 7.206 12.223 3.216 79 HE1 PHE 10 HE2 PHE 10 5.781 8.123 0.821 80 HE2 PHE 10 HE1 PHE 10 8.885 10.521 2.569 81 HZ PHE 10 HZ PHE 10 8.175 8.467 1.385 82 H ILE 11 HN ILE 11 1.911 13.665 3.530 83 HA ILE 11 HA ILE 11 2.421 14.402 6.230 84 HB ILE 11 HB ILE 11 0.170 15.356 4.445 85 1HG1 ILE 11 HG12 ILE 11 3.018 16.386 4.717 86 2HG1 ILE 11 HG11 ILE 11 2.384 15.516 3.328 87 1HG2 ILE 11 HG21 ILE 11 1.636 16.726 6.727 88 2HG2 ILE 11 HG22 ILE 11 0.044 15.986 6.876 89 3HG2 ILE 11 HG23 ILE 11 0.269 17.376 5.822 90 1HD1 ILE 11 HD11 ILE 11 2.275 17.837 2.772 91 2HD1 ILE 11 HD12 ILE 11 1.543 18.242 4.322 92 3HD1 ILE 11 HD13 ILE 11 0.622 17.335 3.122 93 H GLU 12 HN GLU 12 -0.333 12.867 4.618 94 HA GLU 12 HA GLU 12 -2.166 12.789 6.711 95 1HB GLU 12 HB2 GLU 12 -1.596 10.883 4.434 96 2HB GLU 12 HB1 GLU 12 -2.902 10.560 5.572 97 1HG GLU 12 HG2 GLU 12 -2.643 13.180 4.061 98 2HG GLU 12 HG1 GLU 12 -3.579 11.815 3.459 99 H ASN 13 HN ASN 13 0.687 10.781 6.175 100 HA ASN 13 HA ASN 13 0.109 8.816 8.153 101 1HB ASN 13 HB2 ASN 13 2.714 9.734 6.903 102 2HB ASN 13 HB1 ASN 13 2.598 8.372 8.015 103 1HD2 ASN 13 HD21 ASN 13 3.433 8.064 5.258 104 2HD2 ASN 13 HD22 ASN 13 2.248 7.147 4.459 105 H LEU 14 HN LEU 14 1.572 11.997 8.240 106 HA LEU 14 HA LEU 14 2.699 11.815 10.868 107 1HB LEU 14 HB2 LEU 14 1.863 14.339 9.408 108 2HB LEU 14 HB1 LEU 14 3.122 14.161 10.635 109 HG LEU 14 HG LEU 14 3.147 12.892 7.892 110 1HD1 LEU 14 HD11 LEU 14 4.744 14.450 7.228 111 2HD1 LEU 14 HD12 LEU 14 5.065 14.994 8.870 112 3HD1 LEU 14 HD13 LEU 14 3.549 15.431 8.072 113 1HD2 LEU 14 HD21 LEU 14 4.339 11.410 9.267 114 2HD2 LEU 14 HD22 LEU 14 5.028 12.713 10.242 115 3HD2 LEU 14 HD23 LEU 14 5.577 12.449 8.593 116 H LYS 15 HN LYS 15 -0.360 12.942 9.537 117 HA LYS 15 HA LYS 15 -1.428 14.226 11.739 118 1HB LYS 15 HB2 LYS 15 -2.457 14.135 9.465 119 2HB LYS 15 HB1 LYS 15 -2.958 12.477 9.803 120 1HG LYS 15 HG2 LYS 15 -4.284 13.230 11.716 121 2HG LYS 15 HG1 LYS 15 -3.726 14.886 11.479 122 1HD LYS 15 HD2 LYS 15 -4.797 14.934 9.258 123 2HD LYS 15 HD1 LYS 15 -5.355 13.277 9.490 124 1HE LYS 15 HE2 LYS 15 -7.161 14.829 10.051 125 2HE LYS 15 HE1 LYS 15 -6.608 14.013 11.513 126 1HZ LYS 15 HZ1 LYS 15 -5.239 16.485 10.851 127 2HZ LYS 15 HZ2 LYS 15 -5.764 15.899 12.357 128 3HZ LYS 15 HZ3 LYS 15 -6.865 16.652 11.305 129 H GLN 16 HN GLN 16 -1.147 10.791 11.037 130 HA GLN 16 HA GLN 16 -2.844 9.847 13.120 131 1HB GLN 16 HB2 GLN 16 -2.164 8.459 11.187 132 2HB GLN 16 HB1 GLN 16 -0.505 8.464 11.786 133 1HG GLN 16 HG2 GLN 16 -1.149 7.293 13.799 134 2HG GLN 16 HG1 GLN 16 -2.858 7.459 13.409 135 1HE2 GLN 16 HE21 GLN 16 -2.215 4.895 13.803 136 2HE2 GLN 16 HE22 GLN 16 -1.999 4.048 12.348 137 H HIS 17 HN HIS 17 0.584 10.670 12.962 138 HA HIS 17 HA HIS 17 1.355 9.560 15.440 139 1HB HIS 17 HB2 HIS 17 2.462 12.028 14.072 140 2HB HIS 17 HB1 HIS 17 3.276 11.064 15.304 141 HD1 HIS 17 HD1 HIS 17 4.520 11.366 12.481 142 HD2 HIS 17 HD2 HIS 17 2.042 8.206 13.600 143 HE1 HIS 17 HE1 HIS 17 5.043 9.452 10.910 144 HE2 HIS 17 HE2 HIS 17 3.545 7.516 11.582 145 H ILE 18 HN ILE 18 0.371 12.898 14.637 146 HA ILE 18 HA ILE 18 0.344 13.744 17.384 147 HB ILE 18 HB ILE 18 -0.594 15.831 16.513 148 1HG1 ILE 18 HG12 ILE 18 -0.917 14.221 13.971 149 2HG1 ILE 18 HG11 ILE 18 -2.195 14.989 14.901 150 1HG2 ILE 18 HG21 ILE 18 1.259 16.465 15.126 151 2HG2 ILE 18 HG22 ILE 18 1.461 14.823 14.511 152 3HG2 ILE 18 HG23 ILE 18 1.868 15.202 16.180 153 1HD1 ILE 18 HD11 ILE 18 -0.984 17.209 14.427 154 2HD1 ILE 18 HD12 ILE 18 -1.833 16.452 13.079 155 3HD1 ILE 18 HD13 ILE 18 -0.080 16.311 13.204 156 H GLU 19 HN GLU 19 -2.153 12.811 15.036 157 HA GLU 19 HA GLU 19 -4.380 13.332 16.732 158 1HB GLU 19 HB2 GLU 19 -4.521 13.043 14.254 159 2HB GLU 19 HB1 GLU 19 -4.199 11.325 14.468 160 1HG GLU 19 HG2 GLU 19 -6.589 11.621 14.255 161 2HG GLU 19 HG1 GLU 19 -6.259 11.199 15.932 162 H MET 20 HN MET 20 -2.711 10.279 15.933 163 HA MET 20 HA MET 20 -3.992 8.998 18.286 164 1HB MET 20 HB2 MET 20 -2.518 7.714 15.971 165 2HB MET 20 HB1 MET 20 -3.410 6.891 17.244 166 1HG MET 20 HG2 MET 20 -5.477 8.087 16.520 167 2HG MET 20 HG1 MET 20 -4.564 8.778 15.178 168 1HE MET 20 HE1 MET 20 -6.436 6.389 13.005 169 2HE MET 20 HE2 MET 20 -5.292 7.725 12.890 170 3HE MET 20 HE3 MET 20 -6.661 7.839 13.994 171 H ASN 21 HN ASN 21 -2.125 6.928 18.538 172 HA ASN 21 HA ASN 21 0.492 8.105 19.068 173 1HB ASN 21 HB2 ASN 21 -0.864 8.752 21.051 174 2HB ASN 21 HB1 ASN 21 -1.200 7.047 21.345 175 1HD2 ASN 21 HD21 ASN 21 0.004 7.792 23.478 176 2HD2 ASN 21 HD22 ASN 21 1.688 7.582 23.477 177 H GLN 22 HN GLN 22 0.011 6.161 17.283 178 HA GLN 22 HA GLN 22 -0.021 3.511 18.201 179 1HB GLN 22 HB2 GLN 22 -0.309 4.191 15.827 180 2HB GLN 22 HB1 GLN 22 1.406 4.597 15.762 181 1HG GLN 22 HG2 GLN 22 2.034 2.300 16.210 182 2HG GLN 22 HG1 GLN 22 0.354 1.852 16.500 183 1HE2 GLN 22 HE21 GLN 22 1.830 0.491 14.513 184 2HE2 GLN 22 HE22 GLN 22 1.230 0.922 12.984 185 H SER 23 HN SER 23 2.749 5.603 17.392 186 HA SER 23 HA SER 23 4.377 4.684 19.505 187 1HB SER 23 HB2 SER 23 6.064 3.418 18.120 188 2HB SER 23 HB1 SER 23 4.541 2.570 18.345 189 HG SER 23 HG SER 23 5.179 4.205 16.113 190 H GLU 24 HN GLU 24 4.270 7.124 19.250 191 HA GLU 24 HA GLU 24 6.763 8.031 18.198 192 1HB GLU 24 HB2 GLU 24 5.146 7.849 16.140 193 2HB GLU 24 HB1 GLU 24 4.396 9.299 16.792 194 1HG GLU 24 HG2 GLU 24 6.064 10.076 15.248 195 2HG GLU 24 HG1 GLU 24 6.756 10.330 16.851 196 H ASP 25 HN ASP 25 5.129 10.712 17.736 197 HA ASP 25 HA ASP 25 4.426 11.411 20.479 198 1HB ASP 25 HB2 ASP 25 6.812 12.617 19.055 199 2HB ASP 25 HB1 ASP 25 6.100 13.263 20.536 200 H LYS 26 HN LYS 26 4.507 14.127 20.275 201 HA LYS 26 HA LYS 26 2.328 14.618 18.410 202 1HB LYS 26 HB2 LYS 26 2.352 15.447 20.785 203 2HB LYS 26 HB1 LYS 26 3.633 16.567 20.332 204 1HG LYS 26 HG2 LYS 26 2.156 17.552 18.609 205 2HG LYS 26 HG1 LYS 26 0.880 16.417 19.051 206 1HD LYS 26 HD2 LYS 26 0.978 17.348 21.400 207 2HD LYS 26 HD1 LYS 26 2.085 18.583 20.801 208 1HE LYS 26 HE2 LYS 26 0.373 19.342 19.193 209 2HE LYS 26 HE1 LYS 26 -0.727 18.101 19.780 210 1HZ LYS 26 HZ1 LYS 26 -1.356 19.932 20.990 211 2HZ LYS 26 HZ2 LYS 26 0.228 20.527 21.140 212 3HZ LYS 26 HZ3 LYS 26 -0.268 19.186 22.058 213 H ILE 27 HN ILE 27 4.386 17.322 18.970 214 HA ILE 27 HA ILE 27 4.724 17.852 16.214 215 HB ILE 27 HB ILE 27 4.753 19.563 18.019 216 1HG1 ILE 27 HG12 ILE 27 7.289 19.575 16.353 217 2HG1 ILE 27 HG11 ILE 27 5.698 19.937 15.697 218 1HG2 ILE 27 HG21 ILE 27 6.675 19.880 19.409 219 2HG2 ILE 27 HG22 ILE 27 7.597 18.663 18.527 220 3HG2 ILE 27 HG23 ILE 27 6.243 18.175 19.547 221 1HD1 ILE 27 HD11 ILE 27 7.441 21.770 16.854 222 2HD1 ILE 27 HD12 ILE 27 6.236 21.508 18.112 223 3HD1 ILE 27 HD13 ILE 27 5.734 22.028 16.502 224 H HIS 28 HN HIS 28 6.828 16.361 18.640 225 HA HIS 28 HA HIS 28 9.162 16.229 17.029 226 1HB HIS 28 HB2 HIS 28 9.157 15.925 19.480 227 2HB HIS 28 HB1 HIS 28 8.339 14.380 19.278 228 HD1 HIS 28 HD1 HIS 28 9.801 12.377 18.786 229 HD2 HIS 28 HD2 HIS 28 11.820 15.981 18.229 230 HE1 HIS 28 HE1 HIS 28 12.221 11.780 18.338 231 HE2 HIS 28 HE2 HIS 28 13.466 13.967 17.997 232 H ALA 29 HN ALA 29 6.348 15.061 16.133 233 HA ALA 29 HA ALA 29 6.973 12.340 15.388 234 1HB ALA 29 HB1 ALA 29 4.656 12.988 15.762 235 2HB ALA 29 HB2 ALA 29 4.868 12.504 14.079 236 3HB ALA 29 HB3 ALA 29 4.765 14.214 14.499 237 H MET 30 HN MET 30 6.825 15.471 13.717 238 HA MET 30 HA MET 30 7.429 14.514 11.130 239 1HB MET 30 HB2 MET 30 8.344 17.029 10.937 240 2HB MET 30 HB1 MET 30 6.617 16.710 11.062 241 1HG MET 30 HG2 MET 30 6.504 17.407 13.294 242 2HG MET 30 HG1 MET 30 8.197 17.029 13.604 243 1HE MET 30 HE1 MET 30 10.200 18.457 12.979 244 2HE MET 30 HE2 MET 30 9.410 18.984 14.463 245 3HE MET 30 HE3 MET 30 10.002 20.179 13.316 246 H ASN 31 HN ASN 31 9.534 15.813 13.719 247 HA ASN 31 HA ASN 31 11.957 15.772 12.348 248 1HB ASN 31 HB2 ASN 31 11.687 16.693 14.617 249 2HB ASN 31 HB1 ASN 31 11.466 15.064 15.251 250 1HD2 ASN 31 HD21 ASN 31 13.415 15.091 16.549 251 2HD2 ASN 31 HD22 ASN 31 14.960 15.099 15.846 252 H SER 32 HN SER 32 10.475 13.132 14.251 253 HA SER 32 HA SER 32 12.507 11.226 13.723 254 1HB SER 32 HB2 SER 32 10.776 9.571 14.411 255 2HB SER 32 HB1 SER 32 10.917 10.921 15.536 256 HG SER 32 HG SER 32 9.016 11.661 14.907 257 H TYR 33 HN TYR 33 9.270 11.608 12.257 258 HA TYR 33 HA TYR 33 9.557 9.632 10.282 259 1HB TYR 33 HB2 TYR 33 7.377 10.565 10.890 260 2HB TYR 33 HB1 TYR 33 7.866 12.152 10.294 261 HD1 TYR 33 HD2 TYR 33 8.299 12.515 7.886 262 HD2 TYR 33 HD1 TYR 33 6.706 8.805 9.346 263 HE1 TYR 33 HE2 TYR 33 7.625 11.891 5.574 264 HE2 TYR 33 HE1 TYR 33 6.023 8.186 7.043 265 HH TYR 33 HH TYR 33 6.528 8.708 4.775 266 H TYR 34 HN TYR 34 10.233 13.110 10.242 267 HA TYR 34 HA TYR 34 10.838 13.438 7.545 268 1HB TYR 34 HB2 TYR 34 10.621 15.353 9.037 269 2HB TYR 34 HB1 TYR 34 12.030 14.837 9.963 270 HD1 TYR 34 HD2 TYR 34 14.297 14.937 8.957 271 HD2 TYR 34 HD1 TYR 34 10.849 16.460 6.894 272 HE1 TYR 34 HE2 TYR 34 15.777 16.144 7.375 273 HE2 TYR 34 HE1 TYR 34 12.331 17.664 5.309 274 HH TYR 34 HH TYR 34 14.464 18.363 4.959 275 H ARG 35 HN ARG 35 12.998 12.553 10.237 276 HA ARG 35 HA ARG 35 15.271 12.170 8.527 277 1HB ARG 35 HB2 ARG 35 15.479 12.853 10.903 278 2HB ARG 35 HB1 ARG 35 14.866 11.269 11.386 279 1HG ARG 35 HG2 ARG 35 16.743 10.150 10.340 280 2HG ARG 35 HG1 ARG 35 17.315 11.661 9.634 281 1HD ARG 35 HD2 ARG 35 17.612 12.557 11.951 282 2HD ARG 35 HD1 ARG 35 17.190 10.964 12.575 283 HE ARG 35 HE ARG 35 19.264 10.620 10.723 284 1HH1 ARG 35 HH21 ARG 35 18.633 12.177 13.748 285 2HH1 ARG 35 HH22 ARG 35 20.255 12.011 14.333 286 1HH2 ARG 35 HH11 ARG 35 21.395 10.389 11.487 287 2HH2 ARG 35 HH12 ARG 35 21.819 10.998 13.052 288 H SER 36 HN SER 36 12.564 10.282 9.462 289 HA SER 36 HA SER 36 13.744 7.691 9.247 290 1HB SER 36 HB2 SER 36 11.511 8.203 10.339 291 2HB SER 36 HB1 SER 36 10.841 8.373 8.720 292 HG SER 36 HG SER 36 11.376 6.251 8.301 293 H VAL 37 HN VAL 37 11.809 9.644 6.973 294 HA VAL 37 HA VAL 37 12.177 7.758 4.822 295 HB VAL 37 HB VAL 37 10.964 9.281 3.446 296 1HG1 VAL 37 HG11 VAL 37 8.966 9.609 4.743 297 2HG1 VAL 37 HG12 VAL 37 9.876 9.615 6.252 298 3HG1 VAL 37 HG13 VAL 37 9.733 8.130 5.309 299 1HG2 VAL 37 HG21 VAL 37 10.411 11.624 4.351 300 2HG2 VAL 37 HG22 VAL 37 12.071 11.376 3.808 301 3HG2 VAL 37 HG23 VAL 37 11.696 11.360 5.535 302 H VAL 38 HN VAL 38 13.541 10.945 5.616 303 HA VAL 38 HA VAL 38 15.126 11.266 3.330 304 HB VAL 38 HB VAL 38 15.529 12.193 6.185 305 1HG1 VAL 38 HG11 VAL 38 17.740 12.247 5.258 306 2HG1 VAL 38 HG12 VAL 38 17.124 13.891 5.109 307 3HG1 VAL 38 HG13 VAL 38 17.145 12.827 3.702 308 1HG2 VAL 38 HG21 VAL 38 14.633 14.281 5.401 309 2HG2 VAL 38 HG22 VAL 38 13.555 13.022 4.798 310 3HG2 VAL 38 HG23 VAL 38 14.737 13.763 3.716 311 H SER 39 HN SER 39 15.958 9.720 6.453 312 HA SER 39 HA SER 39 18.582 9.000 5.747 313 1HB SER 39 HB2 SER 39 16.663 7.638 7.654 314 2HB SER 39 HB1 SER 39 18.400 7.357 7.582 315 HG SER 39 HG SER 39 18.766 9.346 8.352 316 H THR 40 HN THR 40 15.482 7.304 5.366 317 HA THR 40 HA THR 40 16.622 4.904 4.321 318 HB THR 40 HB THR 40 13.818 6.008 3.987 319 HG1 THR 40 HG1 THR 40 14.188 3.941 5.695 320 1HG2 THR 40 HG21 THR 40 14.200 4.273 2.364 321 2HG2 THR 40 HG22 THR 40 13.307 3.539 3.694 322 3HG2 THR 40 HG23 THR 40 15.045 3.269 3.544 323 H LEU 41 HN LEU 41 15.109 7.746 2.798 324 HA LEU 41 HA LEU 41 15.355 6.853 0.132 325 1HB LEU 41 HB2 LEU 41 15.161 9.613 1.337 326 2HB LEU 41 HB1 LEU 41 15.165 9.344 -0.401 327 HG LEU 41 HG LEU 41 13.177 8.058 1.505 328 1HD1 LEU 41 HD11 LEU 41 11.573 9.758 0.682 329 2HD1 LEU 41 HD12 LEU 41 12.864 10.517 -0.252 330 3HD1 LEU 41 HD13 LEU 41 12.937 10.510 1.510 331 1HD2 LEU 41 HD21 LEU 41 13.593 7.990 -1.479 332 2HD2 LEU 41 HD22 LEU 41 11.932 7.993 -0.887 333 3HD2 LEU 41 HD23 LEU 41 13.040 6.723 -0.389 334 H VAL 42 HN VAL 42 17.605 8.388 2.320 335 HA VAL 42 HA VAL 42 19.579 8.926 0.218 336 HB VAL 42 HB VAL 42 19.644 9.268 3.229 337 1HG1 VAL 42 HG11 VAL 42 21.776 10.603 2.699 338 2HG1 VAL 42 HG12 VAL 42 21.771 9.798 1.130 339 3HG1 VAL 42 HG13 VAL 42 21.925 8.849 2.608 340 1HG2 VAL 42 HG21 VAL 42 19.386 11.600 2.772 341 2HG2 VAL 42 HG22 VAL 42 18.223 10.810 1.710 342 3HG2 VAL 42 HG23 VAL 42 19.753 11.389 1.060 343 H GLN 43 HN GLN 43 19.060 6.603 2.837 344 HA GLN 43 HA GLN 43 21.587 5.303 2.590 345 1HB GLN 43 HB2 GLN 43 18.949 4.549 3.844 346 2HB GLN 43 HB1 GLN 43 20.264 3.376 3.766 347 1HG GLN 43 HG2 GLN 43 21.715 4.778 5.064 348 2HG GLN 43 HG1 GLN 43 20.625 6.151 4.945 349 1HE2 GLN 43 HE21 GLN 43 21.168 5.645 7.502 350 2HE2 GLN 43 HE22 GLN 43 19.949 4.751 8.275 351 H ASP 44 HN ASP 44 19.031 5.472 0.459 352 HA ASP 44 HA ASP 44 20.059 3.198 -1.083 353 1HB ASP 44 HB2 ASP 44 17.853 2.230 -1.389 354 2HB ASP 44 HB1 ASP 44 18.235 2.291 0.328 355 H GLN 45 HN GLN 45 19.114 3.163 -3.280 356 HA GLN 45 HA GLN 45 18.294 4.173 -5.216 357 1HB GLN 45 HB2 GLN 45 16.627 5.386 -3.696 358 2HB GLN 45 HB1 GLN 45 17.782 6.712 -3.635 359 1HG GLN 45 HG2 GLN 45 17.709 6.971 -6.019 360 2HG GLN 45 HG1 GLN 45 16.613 5.600 -6.174 361 1HE2 GLN 45 HE21 GLN 45 15.902 8.278 -7.043 362 2HE2 GLN 45 HE22 GLN 45 14.639 8.825 -6.048 363 H LEU 46 HN LEU 46 19.661 6.957 -3.457 364 HA LEU 46 HA LEU 46 21.307 8.443 -4.115 365 1HB LEU 46 HB2 LEU 46 22.609 5.754 -4.547 366 2HB LEU 46 HB1 LEU 46 23.507 7.271 -4.531 367 HG LEU 46 HG LEU 46 21.697 6.598 -2.195 368 1HD1 LEU 46 HD11 LEU 46 23.647 5.513 -1.073 369 2HD1 LEU 46 HD12 LEU 46 24.528 5.580 -2.601 370 3HD1 LEU 46 HD13 LEU 46 23.073 4.594 -2.464 371 1HD2 LEU 46 HD21 LEU 46 22.763 8.846 -2.314 372 2HD2 LEU 46 HD22 LEU 46 24.347 8.075 -2.399 373 3HD2 LEU 46 HD23 LEU 46 23.362 7.913 -0.945 374 H THR 47 HN THR 47 19.444 8.081 -6.158 375 HA THR 47 HA THR 47 20.538 7.386 -8.654 376 HB THR 47 HB THR 47 18.267 9.233 -7.900 377 HG1 THR 47 HG1 THR 47 18.271 6.641 -9.032 378 1HG2 THR 47 HG21 THR 47 17.547 8.868 -10.302 379 2HG2 THR 47 HG22 THR 47 19.173 8.259 -10.618 380 3HG2 THR 47 HG23 THR 47 18.941 9.927 -10.095 381 H LYS 48 HN LYS 48 20.489 10.382 -6.834 382 HA LYS 48 HA LYS 48 22.796 11.440 -8.063 383 1HB LYS 48 HB2 LYS 48 21.274 11.658 -10.036 384 2HB LYS 48 HB1 LYS 48 20.219 12.665 -9.064 385 1HG LYS 48 HG2 LYS 48 21.967 14.295 -8.769 386 2HG LYS 48 HG1 LYS 48 23.121 13.269 -9.606 387 1HD LYS 48 HD2 LYS 48 21.759 13.431 -11.654 388 2HD LYS 48 HD1 LYS 48 20.607 14.463 -10.803 389 1HE LYS 48 HE2 LYS 48 22.053 15.956 -11.986 390 2HE LYS 48 HE1 LYS 48 22.593 16.019 -10.305 391 1HZ LYS 48 HZ1 LYS 48 24.575 15.334 -10.961 392 2HZ LYS 48 HZ2 LYS 48 24.051 15.263 -12.576 393 3HZ LYS 48 HZ3 LYS 48 23.907 13.900 -11.571 394 H ASN 49 HN ASN 49 23.487 13.303 -7.020 395 HA ASN 49 HA ASN 49 22.475 13.865 -4.473 396 1HB ASN 49 HB2 ASN 49 24.109 15.707 -6.228 397 2HB ASN 49 HB1 ASN 49 23.947 15.807 -4.476 398 1HD2 ASN 49 HD21 ASN 49 24.054 12.874 -4.067 399 2HD2 ASN 49 HD22 ASN 49 25.660 12.414 -4.363 400 H ALA 50 HN ALA 50 21.904 15.491 -7.568 401 HA ALA 50 HA ALA 50 20.365 17.635 -6.511 402 1HB ALA 50 HB1 ALA 50 19.673 18.050 -8.786 403 2HB ALA 50 HB2 ALA 50 20.152 16.427 -9.275 404 3HB ALA 50 HB3 ALA 50 21.377 17.601 -8.803 405 H VAL 51 HN VAL 51 19.413 14.526 -7.969 406 HA VAL 51 HA VAL 51 16.642 14.833 -7.890 407 HB VAL 51 HB VAL 51 18.415 12.406 -7.563 408 1HG1 VAL 51 HG11 VAL 51 15.390 12.500 -7.602 409 2HG1 VAL 51 HG12 VAL 51 16.439 11.662 -6.458 410 3HG1 VAL 51 HG13 VAL 51 16.286 11.064 -8.110 411 1HG2 VAL 51 HG21 VAL 51 16.562 13.143 -9.844 412 2HG2 VAL 51 HG22 VAL 51 17.886 11.984 -9.851 413 3HG2 VAL 51 HG23 VAL 51 18.230 13.710 -9.768 414 H VAL 52 HN VAL 52 18.482 12.985 -5.454 415 HA VAL 52 HA VAL 52 16.489 12.701 -3.578 416 HB VAL 52 HB VAL 52 18.270 12.500 -1.880 417 1HG1 VAL 52 HG11 VAL 52 17.945 10.632 -3.478 418 2HG1 VAL 52 HG12 VAL 52 19.634 10.787 -2.998 419 3HG1 VAL 52 HG13 VAL 52 19.110 11.376 -4.575 420 1HG2 VAL 52 HG21 VAL 52 19.977 13.700 -4.066 421 2HG2 VAL 52 HG22 VAL 52 20.634 12.956 -2.615 422 3HG2 VAL 52 HG23 VAL 52 19.652 14.412 -2.489 423 H LEU 53 HN LEU 53 18.442 15.538 -4.224 424 HA LEU 53 HA LEU 53 17.831 16.998 -1.907 425 1HB LEU 53 HB2 LEU 53 19.263 17.461 -4.309 426 2HB LEU 53 HB1 LEU 53 18.070 18.738 -4.259 427 HG LEU 53 HG LEU 53 20.189 19.417 -3.211 428 1HD1 LEU 53 HD11 LEU 53 18.051 19.145 -1.084 429 2HD1 LEU 53 HD12 LEU 53 17.971 20.303 -2.414 430 3HD1 LEU 53 HD13 LEU 53 19.270 20.405 -1.226 431 1HD2 LEU 53 HD21 LEU 53 20.413 16.859 -2.244 432 2HD2 LEU 53 HD22 LEU 53 19.847 17.694 -0.798 433 3HD2 LEU 53 HD23 LEU 53 21.316 18.233 -1.613 434 H LYS 54 HN LYS 54 16.137 16.712 -4.989 435 HA LYS 54 HA LYS 54 14.169 18.672 -4.594 436 1HB LYS 54 HB2 LYS 54 13.996 16.038 -6.081 437 2HB LYS 54 HB1 LYS 54 12.858 17.372 -6.244 438 1HG LYS 54 HG2 LYS 54 14.554 18.831 -7.133 439 2HG LYS 54 HG1 LYS 54 15.831 17.687 -6.734 440 1HD LYS 54 HD2 LYS 54 15.481 17.413 -9.070 441 2HD LYS 54 HD1 LYS 54 14.662 16.041 -8.329 442 1HE LYS 54 HE2 LYS 54 13.320 17.148 -10.128 443 2HE LYS 54 HE1 LYS 54 12.500 17.147 -8.570 444 1HZ LYS 54 HZ1 LYS 54 12.516 19.358 -8.514 445 2HZ LYS 54 HZ2 LYS 54 12.976 19.319 -10.148 446 3HZ LYS 54 HZ3 LYS 54 14.157 19.453 -8.934 447 H ARG 55 HN ARG 55 14.278 15.248 -3.681 448 HA ARG 55 HA ARG 55 11.651 15.096 -2.655 449 1HB ARG 55 HB2 ARG 55 14.157 13.493 -2.079 450 2HB ARG 55 HB1 ARG 55 12.566 13.074 -1.444 451 1HG ARG 55 HG2 ARG 55 11.685 12.928 -3.751 452 2HG ARG 55 HG1 ARG 55 13.282 13.331 -4.382 453 1HD ARG 55 HD2 ARG 55 14.214 11.318 -3.292 454 2HD ARG 55 HD1 ARG 55 12.611 10.912 -2.684 455 HE ARG 55 HE ARG 55 12.694 11.237 -5.557 456 1HH1 ARG 55 HH21 ARG 55 13.218 9.104 -2.887 457 2HH1 ARG 55 HH22 ARG 55 12.982 7.659 -3.813 458 1HH2 ARG 55 HH11 ARG 55 12.384 9.350 -6.782 459 2HH2 ARG 55 HH12 ARG 55 12.509 7.800 -6.020 460 H ILE 56 HN ILE 56 14.782 15.864 -1.171 461 HA ILE 56 HA ILE 56 13.816 16.046 1.500 462 HB ILE 56 HB ILE 56 16.235 17.299 0.174 463 1HG1 ILE 56 HG12 ILE 56 16.041 14.832 1.939 464 2HG1 ILE 56 HG11 ILE 56 16.033 14.762 0.180 465 1HG2 ILE 56 HG21 ILE 56 15.451 17.010 3.091 466 2HG2 ILE 56 HG22 ILE 56 15.788 18.506 2.222 467 3HG2 ILE 56 HG23 ILE 56 17.092 17.379 2.565 468 1HD1 ILE 56 HD11 ILE 56 18.225 16.038 1.823 469 2HD1 ILE 56 HD12 ILE 56 18.205 15.828 0.079 470 3HD1 ILE 56 HD13 ILE 56 18.304 14.421 1.128 471 H GLN 57 HN GLN 57 14.573 18.542 -0.939 472 HA GLN 57 HA GLN 57 13.804 20.771 0.552 473 1HB GLN 57 HB2 GLN 57 13.736 20.269 -2.435 474 2HB GLN 57 HB1 GLN 57 13.436 21.849 -1.711 475 1HG GLN 57 HG2 GLN 57 15.945 20.242 -1.168 476 2HG GLN 57 HG1 GLN 57 15.835 21.424 -2.468 477 1HE2 GLN 57 HE21 GLN 57 15.797 23.679 -1.902 478 2HE2 GLN 57 HE22 GLN 57 16.083 24.220 -0.318 479 H HIS 58 HN HIS 58 11.906 18.613 -1.520 480 HA HIS 58 HA HIS 58 9.480 20.108 -1.259 481 1HB HIS 58 HB2 HIS 58 10.027 17.250 -2.111 482 2HB HIS 58 HB1 HIS 58 8.427 17.990 -2.147 483 HD1 HIS 58 HD1 HIS 58 9.445 20.848 -3.078 484 HD2 HIS 58 HD2 HIS 58 10.382 17.231 -4.927 485 HE1 HIS 58 HE1 HIS 58 10.070 21.406 -5.469 486 HE2 HIS 58 HE2 HIS 58 10.644 19.210 -6.609 487 H LEU 59 HN LEU 59 10.851 17.291 0.404 488 HA LEU 59 HA LEU 59 8.651 16.586 1.953 489 1HB LEU 59 HB2 LEU 59 10.802 15.320 1.853 490 2HB LEU 59 HB1 LEU 59 11.536 16.562 2.860 491 HG LEU 59 HG LEU 59 9.914 16.050 4.666 492 1HD1 LEU 59 HD11 LEU 59 7.956 15.185 3.717 493 2HD1 LEU 59 HD12 LEU 59 8.714 13.711 4.305 494 3HD1 LEU 59 HD13 LEU 59 8.826 14.136 2.594 495 1HD2 LEU 59 HD21 LEU 59 12.091 14.951 4.602 496 2HD2 LEU 59 HD22 LEU 59 11.444 13.683 3.557 497 3HD2 LEU 59 HD23 LEU 59 10.874 13.835 5.218 498 H ASP 60 HN ASP 60 10.646 19.400 2.155 499 HA ASP 60 HA ASP 60 10.336 20.109 4.848 500 1HB ASP 60 HB2 ASP 60 11.013 22.301 4.228 501 2HB ASP 60 HB1 ASP 60 11.767 21.271 3.016 502 H GLU 61 HN GLU 61 8.100 20.289 2.151 503 HA GLU 61 HA GLU 61 6.248 22.124 3.206 504 1HB GLU 61 HB2 GLU 61 4.763 21.366 1.507 505 2HB GLU 61 HB1 GLU 61 6.376 21.154 0.832 506 1HG GLU 61 HG2 GLU 61 6.228 18.723 1.758 507 2HG GLU 61 HG1 GLU 61 4.504 19.034 1.921 508 H ALA 62 HN ALA 62 6.750 18.697 3.768 509 HA ALA 62 HA ALA 62 4.293 18.274 5.176 510 1HB ALA 62 HB1 ALA 62 6.834 16.638 5.337 511 2HB ALA 62 HB2 ALA 62 5.663 16.493 4.026 512 3HB ALA 62 HB3 ALA 62 5.189 16.108 5.676 513 H TYR 63 HN TYR 63 7.692 18.439 6.300 514 HA TYR 63 HA TYR 63 7.263 18.354 9.023 515 1HB TYR 63 HB2 TYR 63 9.558 18.458 8.790 516 2HB TYR 63 HB1 TYR 63 9.416 19.269 7.233 517 HD1 TYR 63 HD2 TYR 63 9.136 21.733 7.122 518 HD2 TYR 63 HD1 TYR 63 9.990 19.745 10.828 519 HE1 TYR 63 HE2 TYR 63 9.745 23.907 8.139 520 HE2 TYR 63 HE1 TYR 63 10.603 21.924 11.849 521 HH TYR 63 HH TYR 63 9.806 24.857 10.530 522 H ASN 64 HN ASN 64 6.964 21.104 6.821 523 HA ASN 64 HA ASN 64 6.529 23.072 8.850 524 1HB ASN 64 HB2 ASN 64 7.316 23.627 6.577 525 2HB ASN 64 HB1 ASN 64 5.758 23.119 5.925 526 1HD2 ASN 64 HD21 ASN 64 5.037 25.217 5.232 527 2HD2 ASN 64 HD22 ASN 64 4.730 26.481 6.321 528 H LYS 65 HN LYS 65 4.420 21.071 6.836 529 HA LYS 65 HA LYS 65 1.986 22.309 7.503 530 1HB LYS 65 HB2 LYS 65 2.601 20.427 5.742 531 2HB LYS 65 HB1 LYS 65 2.121 19.331 7.024 532 1HG LYS 65 HG2 LYS 65 0.430 21.500 5.734 533 2HG LYS 65 HG1 LYS 65 0.211 19.758 5.590 534 1HD LYS 65 HD2 LYS 65 -0.085 19.764 8.168 535 2HD LYS 65 HD1 LYS 65 -0.270 21.511 8.006 536 1HE LYS 65 HE2 LYS 65 -2.475 20.522 7.941 537 2HE LYS 65 HE1 LYS 65 -2.085 21.110 6.324 538 1HZ LYS 65 HZ1 LYS 65 -2.345 19.068 5.552 539 2HZ LYS 65 HZ2 LYS 65 -2.729 18.503 7.108 540 3HZ LYS 65 HZ3 LYS 65 -1.117 18.497 6.572 541 H VAL 66 HN VAL 66 3.653 19.540 9.010 542 HA VAL 66 HA VAL 66 1.739 18.897 10.932 543 HB VAL 66 HB VAL 66 4.768 18.799 11.187 544 1HG1 VAL 66 HG11 VAL 66 3.869 18.580 13.394 545 2HG1 VAL 66 HG12 VAL 66 4.191 16.936 12.846 546 3HG1 VAL 66 HG13 VAL 66 2.542 17.562 12.832 547 1HG2 VAL 66 HG21 VAL 66 4.104 17.485 9.298 548 2HG2 VAL 66 HG22 VAL 66 2.688 16.851 10.137 549 3HG2 VAL 66 HG23 VAL 66 4.301 16.342 10.627 550 H LYS 67 HN LYS 67 4.549 21.063 11.316 551 HA LYS 67 HA LYS 67 3.909 21.962 13.895 552 1HB LYS 67 HB2 LYS 67 5.359 23.436 11.694 553 2HB LYS 67 HB1 LYS 67 5.410 23.814 13.412 554 1HG LYS 67 HG2 LYS 67 6.065 21.067 13.345 555 2HG LYS 67 HG1 LYS 67 6.869 21.713 11.928 556 1HD LYS 67 HD2 LYS 67 7.153 22.812 14.735 557 2HD LYS 67 HD1 LYS 67 8.298 21.726 13.958 558 1HE LYS 67 HE2 LYS 67 8.542 23.486 12.120 559 2HE LYS 67 HE1 LYS 67 7.621 24.578 13.154 560 1HZ LYS 67 HZ1 LYS 67 10.306 23.453 13.577 561 2HZ LYS 67 HZ2 LYS 67 9.357 23.865 14.925 562 3HZ LYS 67 HZ3 LYS 67 9.766 25.049 13.777 563 H ARG 68 HN ARG 68 3.158 23.367 10.718 564 HA ARG 68 HA ARG 68 1.843 25.656 11.619 565 1HB ARG 68 HB2 ARG 68 2.565 24.961 9.218 566 2HB ARG 68 HB1 ARG 68 1.017 24.129 9.137 567 1HG ARG 68 HG2 ARG 68 0.399 26.209 8.282 568 2HG ARG 68 HG1 ARG 68 0.092 26.495 9.991 569 1HD ARG 68 HD2 ARG 68 2.454 27.433 10.147 570 2HD ARG 68 HD1 ARG 68 2.536 27.312 8.393 571 HE ARG 68 HE ARG 68 1.126 29.153 8.227 572 1HH1 ARG 68 HH21 ARG 68 1.136 27.887 11.448 573 2HH1 ARG 68 HH22 ARG 68 0.255 29.218 12.119 574 1HH2 ARG 68 HH11 ARG 68 -0.021 30.902 9.101 575 2HH2 ARG 68 HH12 ARG 68 -0.400 30.925 10.790 576 H GLY 69 HN GLY 69 0.979 22.392 11.919 577 1HA GLY 69 HA2 GLY 69 -1.903 22.938 12.209 578 2HA GLY 69 HA1 GLY 69 -1.137 21.359 12.085 579 H GLU 70 HN GLU 70 0.995 22.236 14.018 580 HA GLU 70 HA GLU 70 -0.048 21.143 16.361 581 1HB GLU 70 HB2 GLU 70 2.308 22.982 15.879 582 2HB GLU 70 HB1 GLU 70 1.954 22.315 17.469 583 1HG GLU 70 HG2 GLU 70 2.281 20.577 15.006 584 2HG GLU 70 HG1 GLU 70 3.619 20.993 16.067 585 H SER 71 HN SER 71 1.290 24.209 17.086 586 HA SER 71 HA SER 71 -1.146 25.686 17.312 587 1HB SER 71 HB2 SER 71 -1.391 25.651 19.714 588 2HB SER 71 HB1 SER 71 -1.426 23.994 19.120 589 HG SER 71 HG SER 71 0.447 23.611 20.041 590 H LYS 72 HN LYS 72 0.300 26.597 20.008 591 HA LYS 72 HA LYS 72 2.646 27.960 18.988 592 1HB LYS 72 HB2 LYS 72 1.575 30.260 19.554 593 2HB LYS 72 HB1 LYS 72 1.121 29.506 18.027 594 1HG LYS 72 HG2 LYS 72 -0.943 28.653 19.004 595 2HG LYS 72 HG1 LYS 72 -0.488 29.266 20.590 596 1HD LYS 72 HD2 LYS 72 -0.450 31.576 19.635 597 2HD LYS 72 HD1 LYS 72 -1.049 30.915 18.113 598 1HE LYS 72 HE2 LYS 72 -2.461 30.624 20.781 599 2HE LYS 72 HE1 LYS 72 -2.875 31.825 19.559 600 1HZ LYS 72 HZ1 LYS 72 -4.274 30.184 18.925 601 2HZ LYS 72 HZ2 LYS 72 -3.301 28.941 19.554 602 3HZ LYS 72 HZ3 LYS 72 -2.909 29.660 18.066 603 H LEU 73 HN LEU 73 3.520 26.777 20.772 604 HA LEU 73 HA LEU 73 3.712 28.293 23.155 605 1HB LEU 73 HB2 LEU 73 1.419 27.104 23.401 606 2HB LEU 73 HB1 LEU 73 2.349 25.617 23.555 607 HG LEU 73 HG LEU 73 3.699 27.018 25.390 608 1HD1 LEU 73 HD11 LEU 73 0.970 28.351 25.455 609 2HD1 LEU 73 HD12 LEU 73 2.463 29.141 24.953 610 3HD1 LEU 73 HD13 LEU 73 2.277 28.590 26.615 611 1HD2 LEU 73 HD21 LEU 73 0.941 25.831 25.838 612 2HD2 LEU 73 HD22 LEU 73 2.077 26.216 27.132 613 3HD2 LEU 73 HD23 LEU 73 2.486 24.987 25.936 614 H GLU 74 HN GLU 74 5.670 27.469 21.503 615 HA GLU 74 HA GLU 74 6.824 24.958 22.496 616 1HB GLU 74 HB2 GLU 74 8.032 26.929 20.538 617 2HB GLU 74 HB1 GLU 74 8.461 25.233 20.769 618 1HG GLU 74 HG2 GLU 74 6.111 24.619 20.075 619 2HG GLU 74 HG1 GLU 74 5.847 26.316 19.685 620 H HIS 75 HN HIS 75 6.744 26.206 24.695 621 HA HIS 75 HA HIS 75 7.902 27.097 26.447 622 1HB HIS 75 HB2 HIS 75 10.341 26.569 24.725 623 2HB HIS 75 HB1 HIS 75 10.314 26.815 26.470 624 HD1 HIS 75 HD1 HIS 75 8.899 24.983 27.868 625 HD2 HIS 75 HD2 HIS 75 9.895 23.923 23.960 626 HE1 HIS 75 HE1 HIS 75 8.606 22.472 27.709 627 HE2 HIS 75 HE2 HIS 75 9.209 21.810 25.333 628 H HIS 76 HN HIS 76 6.861 29.140 25.876 629 HA HIS 76 HA HIS 76 6.870 31.399 25.479 630 1HB HIS 76 HB2 HIS 76 9.829 31.077 26.050 631 2HB HIS 76 HB1 HIS 76 8.920 32.588 26.105 632 HD1 HIS 76 HD1 HIS 76 9.110 29.216 27.836 633 HD2 HIS 76 HD2 HIS 76 7.534 33.019 28.497 634 HE1 HIS 76 HE1 HIS 76 8.260 29.234 30.222 635 HE2 HIS 76 HE2 HIS 76 7.296 31.546 30.640 636 H HIS 77 HN HIS 77 6.321 31.237 23.268 637 HA HIS 77 HA HIS 77 8.339 30.963 21.230 638 1HB HIS 77 HB2 HIS 77 5.924 30.281 20.963 639 2HB HIS 77 HB1 HIS 77 5.503 31.992 20.919 640 HD1 HIS 77 HD1 HIS 77 5.036 32.496 18.503 641 HD2 HIS 77 HD2 HIS 77 8.468 30.175 18.966 642 HE1 HIS 77 HE1 HIS 77 6.066 32.272 16.200 643 HE2 HIS 77 HE2 HIS 77 8.160 30.860 16.466 644 H HIS 78 HN HIS 78 9.818 32.524 21.028 645 HA HIS 78 HA HIS 78 9.602 35.191 21.794 646 1HB HIS 78 HB2 HIS 78 11.738 34.073 21.237 647 2HB HIS 78 HB1 HIS 78 11.277 34.066 19.535 648 HD1 HIS 78 HD1 HIS 78 12.619 35.851 18.420 649 HD2 HIS 78 HD2 HIS 78 11.154 37.115 22.112 650 HE1 HIS 78 HE1 HIS 78 13.270 38.287 18.653 651 HE2 HIS 78 HE2 HIS 78 12.384 39.072 20.899 652 H HIS 79 HN HIS 79 9.856 34.314 18.362 653 HA HIS 79 HA HIS 79 8.614 36.663 17.432 654 1HB HIS 79 HB2 HIS 79 8.923 33.967 16.087 655 2HB HIS 79 HB1 HIS 79 8.453 35.456 15.267 656 HD1 HIS 79 HD1 HIS 79 11.390 33.644 16.626 657 HD2 HIS 79 HD2 HIS 79 10.554 37.466 15.188 658 HE1 HIS 79 HE1 HIS 79 13.626 34.761 16.220 659 HE2 HIS 79 HE2 HIS 79 13.134 37.092 15.343 660 H HIS 80 HN HIS 80 6.564 36.837 16.275 661 HA HIS 80 HA HIS 80 4.378 35.921 17.832 662 1HB HIS 80 HB2 HIS 80 4.436 37.133 15.057 663 2HB HIS 80 HB1 HIS 80 2.983 36.912 16.032 664 HD1 HIS 80 HD1 HIS 80 6.001 39.060 15.669 665 HD2 HIS 80 HD2 HIS 80 2.868 38.597 18.381 666 HE1 HIS 80 HE1 HIS 80 6.053 41.093 17.179 667 HE2 HIS 80 HE2 HIS 80 4.149 40.826 18.838 668 1H MET 1 HT1 MET 1 41.367 34.434 11.621 669 2H MET 1 HT2 MET 1 42.480 33.174 11.864 670 3H MET 1 HT3 MET 1 41.514 33.718 13.152 671 HA MET 1 HA MET 1 40.569 31.693 12.415 672 1HB MET 1 HB2 MET 1 39.066 34.080 11.299 673 2HB MET 1 HB1 MET 1 38.358 32.491 11.581 674 1HG MET 1 HG2 MET 1 39.696 34.133 13.750 675 2HG MET 1 HG1 MET 1 37.961 34.160 13.441 676 1HE MET 1 HE1 MET 1 36.344 32.618 14.550 677 2HE MET 1 HE2 MET 1 37.294 33.379 15.824 678 3HE MET 1 HE3 MET 1 36.892 31.667 15.936 679 H SER 2 HN SER 2 41.297 30.288 10.936 680 HA SER 2 HA SER 2 40.631 30.678 8.129 681 1HB SER 2 HB2 SER 2 43.528 30.275 8.903 682 2HB SER 2 HB1 SER 2 42.874 30.465 7.278 683 HG SER 2 HG SER 2 42.726 32.380 9.371 684 H GLU 3 HN GLU 3 41.131 28.785 10.830 685 HA GLU 3 HA GLU 3 41.863 26.304 9.598 686 1HB GLU 3 HB2 GLU 3 40.562 26.921 12.252 687 2HB GLU 3 HB1 GLU 3 41.128 25.325 11.765 688 1HG GLU 3 HG2 GLU 3 43.416 26.171 11.546 689 2HG GLU 3 HG1 GLU 3 42.873 27.798 11.950 690 H LEU 4 HN LEU 4 39.330 25.491 11.457 691 HA LEU 4 HA LEU 4 37.282 24.601 11.035 692 1HB LEU 4 HB2 LEU 4 37.104 26.563 8.743 693 2HB LEU 4 HB1 LEU 4 35.768 25.815 9.609 694 HG LEU 4 HG LEU 4 37.791 27.720 10.827 695 1HD1 LEU 4 HD11 LEU 4 36.276 28.806 9.214 696 2HD1 LEU 4 HD12 LEU 4 35.916 29.316 10.863 697 3HD1 LEU 4 HD13 LEU 4 34.885 28.130 10.062 698 1HD2 LEU 4 HD21 LEU 4 35.406 26.214 11.945 699 2HD2 LEU 4 HD22 LEU 4 35.944 27.727 12.676 700 3HD2 LEU 4 HD23 LEU 4 37.037 26.350 12.606 701 H PHE 5 HN PHE 5 39.798 24.427 8.886 702 HA PHE 5 HA PHE 5 38.568 22.983 6.736 703 1HB PHE 5 HB2 PHE 5 41.434 23.379 7.631 704 2HB PHE 5 HB1 PHE 5 41.042 22.262 6.325 705 HD1 PHE 5 HD1 PHE 5 39.575 23.130 4.414 706 HD2 PHE 5 HD2 PHE 5 41.665 25.719 7.130 707 HE1 PHE 5 HE1 PHE 5 39.407 24.984 2.775 708 HE2 PHE 5 HE2 PHE 5 41.498 27.573 5.487 709 HZ PHE 5 HZ PHE 5 40.367 27.206 3.314 710 H SER 6 HN SER 6 40.002 22.101 9.821 711 HA SER 6 HA SER 6 40.124 19.284 9.278 712 1HB SER 6 HB2 SER 6 41.137 19.172 11.366 713 2HB SER 6 HB1 SER 6 41.290 20.902 11.119 714 HG SER 6 HG SER 6 39.270 19.521 12.555 715 H VAL 7 HN VAL 7 38.590 17.761 9.552 716 HA VAL 7 HA VAL 7 35.877 18.568 10.030 717 HB VAL 7 HB VAL 7 36.742 15.673 10.042 718 1HG1 VAL 7 HG11 VAL 7 34.379 17.078 8.753 719 2HG1 VAL 7 HG12 VAL 7 34.330 16.270 10.320 720 3HG1 VAL 7 HG13 VAL 7 34.636 15.336 8.856 721 1HG2 VAL 7 HG21 VAL 7 36.658 15.760 7.523 722 2HG2 VAL 7 HG22 VAL 7 38.041 16.602 8.220 723 3HG2 VAL 7 HG23 VAL 7 36.652 17.521 7.639 724 HA PRO 8 HA PRO 8 36.793 15.985 14.122 725 1HB PRO 8 HB2 PRO 8 39.469 17.295 14.619 726 2HB PRO 8 HB1 PRO 8 38.925 15.659 15.059 727 1HG PRO 8 HG2 PRO 8 40.556 15.978 13.010 728 2HG PRO 8 HG1 PRO 8 39.181 14.860 12.871 729 1HD PRO 8 HD2 PRO 8 39.435 17.664 11.794 730 2HD PRO 8 HD1 PRO 8 38.774 16.226 10.993 731 H TYR 9 HN TYR 9 37.742 19.280 13.329 732 HA TYR 9 HA TYR 9 37.363 20.487 15.842 733 1HB TYR 9 HB2 TYR 9 38.468 21.624 13.936 734 2HB TYR 9 HB1 TYR 9 36.923 21.694 13.088 735 HD1 TYR 9 HD2 TYR 9 38.674 22.736 16.204 736 HD2 TYR 9 HD1 TYR 9 35.348 23.449 13.581 737 HE1 TYR 9 HE2 TYR 9 38.140 24.815 17.447 738 HE2 TYR 9 HE1 TYR 9 34.814 25.528 14.825 739 HH TYR 9 HH TYR 9 36.194 26.269 17.845 740 H PHE 10 HN PHE 10 35.101 19.919 13.158 741 HA PHE 10 HA PHE 10 32.876 21.234 14.252 742 1HB PHE 10 HB2 PHE 10 33.397 19.306 12.075 743 2HB PHE 10 HB1 PHE 10 31.807 19.062 12.791 744 HD1 PHE 10 HD2 PHE 10 33.891 22.133 12.162 745 HD2 PHE 10 HD1 PHE 10 30.183 20.092 11.414 746 HE1 PHE 10 HE2 PHE 10 33.053 24.106 10.914 747 HE2 PHE 10 HE1 PHE 10 29.354 22.066 10.172 748 HZ PHE 10 HZ PHE 10 30.776 24.069 9.920 749 H ILE 11 HN ILE 11 34.125 17.972 14.779 750 HA ILE 11 HA ILE 11 31.891 17.035 16.287 751 HB ILE 11 HB ILE 11 34.754 16.059 16.386 752 1HG1 ILE 11 HG12 ILE 11 32.464 15.250 14.556 753 2HG1 ILE 11 HG11 ILE 11 33.876 16.173 14.064 754 1HG2 ILE 11 HG21 ILE 11 32.112 14.663 16.944 755 2HG2 ILE 11 HG22 ILE 11 33.251 15.197 18.178 756 3HG2 ILE 11 HG23 ILE 11 33.713 13.931 17.050 757 1HD1 ILE 11 HD11 ILE 11 33.825 13.322 15.071 758 2HD1 ILE 11 HD12 ILE 11 35.308 14.247 14.833 759 3HD1 ILE 11 HD13 ILE 11 34.266 13.879 13.458 760 H GLU 12 HN GLU 12 35.061 18.346 17.189 761 HA GLU 12 HA GLU 12 34.927 18.110 19.955 762 1HB GLU 12 HB2 GLU 12 36.149 20.292 18.245 763 2HB GLU 12 HB1 GLU 12 36.390 20.192 19.988 764 1HG GLU 12 HG2 GLU 12 37.422 18.008 19.779 765 2HG GLU 12 HG1 GLU 12 37.053 17.948 18.061 766 H ASN 13 HN ASN 13 33.179 20.278 17.851 767 HA ASN 13 HA ASN 13 32.395 22.171 19.843 768 1HB ASN 13 HB2 ASN 13 32.309 22.681 17.430 769 2HB ASN 13 HB1 ASN 13 31.044 21.471 17.226 770 1HD2 ASN 13 HD21 ASN 13 31.042 23.366 20.182 771 2HD2 ASN 13 HD22 ASN 13 29.718 24.345 19.772 772 H LEU 14 HN LEU 14 31.172 19.084 18.761 773 HA LEU 14 HA LEU 14 28.607 19.261 20.030 774 1HB LEU 14 HB2 LEU 14 30.111 16.741 19.278 775 2HB LEU 14 HB1 LEU 14 28.366 16.968 19.410 776 HG LEU 14 HG LEU 14 30.185 18.271 17.372 777 1HD1 LEU 14 HD11 LEU 14 29.843 15.955 16.835 778 2HD1 LEU 14 HD12 LEU 14 28.784 16.901 15.787 779 3HD1 LEU 14 HD13 LEU 14 28.115 16.069 17.188 780 1HD2 LEU 14 HD21 LEU 14 27.230 18.591 17.956 781 2HD2 LEU 14 HD22 LEU 14 27.924 18.956 16.380 782 3HD2 LEU 14 HD23 LEU 14 28.462 19.848 17.788 783 H LYS 15 HN LYS 15 31.757 17.929 20.912 784 HA LYS 15 HA LYS 15 31.024 16.569 23.226 785 1HB LYS 15 HB2 LYS 15 33.601 17.973 22.504 786 2HB LYS 15 HB1 LYS 15 33.416 16.937 23.919 787 1HG LYS 15 HG2 LYS 15 32.745 15.059 22.454 788 2HG LYS 15 HG1 LYS 15 32.955 16.093 21.041 789 1HD LYS 15 HD2 LYS 15 35.336 16.388 21.599 790 2HD LYS 15 HD1 LYS 15 35.131 15.367 23.024 791 1HE LYS 15 HE2 LYS 15 34.462 13.481 21.586 792 2HE LYS 15 HE1 LYS 15 34.659 14.497 20.158 793 1HZ LYS 15 HZ1 LYS 15 37.011 14.870 21.139 794 2HZ LYS 15 HZ2 LYS 15 36.678 13.448 20.271 795 3HZ LYS 15 HZ3 LYS 15 36.707 13.422 21.969 796 H GLN 16 HN GLN 16 31.591 19.973 22.622 797 HA GLN 16 HA GLN 16 31.741 20.838 25.335 798 1HB GLN 16 HB2 GLN 16 32.522 22.200 23.425 799 2HB GLN 16 HB1 GLN 16 30.852 22.371 22.883 800 1HG GLN 16 HG2 GLN 16 30.242 23.561 24.894 801 2HG GLN 16 HG1 GLN 16 31.805 23.222 25.632 802 1HE2 GLN 16 HE21 GLN 16 33.118 25.033 25.587 803 2HE2 GLN 16 HE22 GLN 16 33.164 26.177 24.333 804 H HIS 17 HN HIS 17 29.080 20.132 23.176 805 HA HIS 17 HA HIS 17 27.063 21.452 24.718 806 1HB HIS 17 HB2 HIS 17 26.831 19.156 22.753 807 2HB HIS 17 HB1 HIS 17 25.475 20.068 23.413 808 HD1 HIS 17 HD1 HIS 17 25.342 20.492 20.615 809 HD2 HIS 17 HD2 HIS 17 28.201 22.588 22.809 810 HE1 HIS 17 HE1 HIS 17 25.992 22.498 19.215 811 HE2 HIS 17 HE2 HIS 17 27.741 23.782 20.533 812 H ILE 18 HN ILE 18 28.014 18.015 24.473 813 HA ILE 18 HA ILE 18 26.283 17.192 26.612 814 HB ILE 18 HB ILE 18 27.338 15.010 26.365 815 1HG1 ILE 18 HG12 ILE 18 29.396 16.564 24.786 816 2HG1 ILE 18 HG11 ILE 18 29.670 15.585 26.217 817 1HG2 ILE 18 HG21 ILE 18 26.732 14.586 24.090 818 2HG2 ILE 18 HG22 ILE 18 27.182 16.215 23.579 819 3HG2 ILE 18 HG23 ILE 18 25.753 15.963 24.571 820 1HD1 ILE 18 HD11 ILE 18 30.436 14.241 24.429 821 2HD1 ILE 18 HD12 ILE 18 29.054 14.650 23.412 822 3HD1 ILE 18 HD13 ILE 18 28.841 13.593 24.809 823 H GLU 19 HN GLU 19 29.767 17.816 26.331 824 HA GLU 19 HA GLU 19 30.447 17.083 28.981 825 1HB GLU 19 HB2 GLU 19 32.077 17.387 27.117 826 2HB GLU 19 HB1 GLU 19 31.824 19.129 27.227 827 1HG GLU 19 HG2 GLU 19 32.633 19.138 29.530 828 2HG GLU 19 HG1 GLU 19 32.792 17.383 29.507 829 H MET 20 HN MET 20 29.875 20.325 27.573 830 HA MET 20 HA MET 20 29.619 21.437 30.299 831 1HB MET 20 HB2 MET 20 29.476 23.033 27.727 832 2HB MET 20 HB1 MET 20 29.921 23.581 29.340 833 1HG MET 20 HG2 MET 20 31.514 21.727 27.558 834 2HG MET 20 HG1 MET 20 31.932 23.381 28.004 835 1HE MET 20 HE1 MET 20 34.383 22.486 28.856 836 2HE MET 20 HE2 MET 20 33.727 21.035 28.098 837 3HE MET 20 HE3 MET 20 34.481 20.930 29.689 838 H ASN 21 HN ASN 21 27.949 23.627 29.165 839 HA ASN 21 HA ASN 21 25.466 22.538 28.299 840 1HB ASN 21 HB2 ASN 21 25.502 21.671 30.646 841 2HB ASN 21 HB1 ASN 21 25.587 23.335 31.218 842 1HD2 ASN 21 HD21 ASN 21 23.515 21.123 29.283 843 2HD2 ASN 21 HD22 ASN 21 22.070 21.951 29.615 844 H GLN 22 HN GLN 22 27.024 24.638 27.424 845 HA GLN 22 HA GLN 22 26.476 27.169 28.452 846 1HB GLN 22 HB2 GLN 22 26.891 26.257 25.601 847 2HB GLN 22 HB1 GLN 22 26.837 27.955 26.077 848 1HG GLN 22 HG2 GLN 22 28.717 27.547 27.646 849 2HG GLN 22 HG1 GLN 22 28.791 25.873 27.098 850 1HE2 GLN 22 HE21 GLN 22 29.631 25.458 24.943 851 2HE2 GLN 22 HE22 GLN 22 30.426 26.663 24.051 852 H SER 23 HN SER 23 24.635 25.279 26.065 853 HA SER 23 HA SER 23 22.106 26.153 26.914 854 1HB SER 23 HB2 SER 23 22.467 28.363 26.150 855 2HB SER 23 HB1 SER 23 23.379 27.819 24.745 856 HG SER 23 HG SER 23 20.830 26.823 24.872 857 H GLU 24 HN GLU 24 22.427 23.738 26.466 858 HA GLU 24 HA GLU 24 20.997 23.120 24.035 859 1HB GLU 24 HB2 GLU 24 23.536 23.287 23.447 860 2HB GLU 24 HB1 GLU 24 23.690 21.758 24.303 861 1HG GLU 24 HG2 GLU 24 23.328 21.164 22.004 862 2HG GLU 24 HG1 GLU 24 21.779 20.890 22.801 863 H ASP 25 HN ASP 25 22.511 20.349 24.469 864 HA ASP 25 HA ASP 25 21.394 19.429 26.975 865 1HB ASP 25 HB2 ASP 25 20.157 18.634 24.323 866 2HB ASP 25 HB1 ASP 25 19.908 17.730 25.819 867 H LYS 26 HN LYS 26 21.330 16.796 26.638 868 HA LYS 26 HA LYS 26 24.120 16.137 26.260 869 1HB LYS 26 HB2 LYS 26 22.708 15.190 28.089 870 2HB LYS 26 HB1 LYS 26 21.800 14.299 26.873 871 1HG LYS 26 HG2 LYS 26 23.854 13.128 26.176 872 2HG LYS 26 HG1 LYS 26 24.796 14.082 27.320 873 1HD LYS 26 HD2 LYS 26 24.319 11.887 28.287 874 2HD LYS 26 HD1 LYS 26 23.453 13.128 29.187 875 1HE LYS 26 HE2 LYS 26 22.040 11.750 26.902 876 2HE LYS 26 HE1 LYS 26 22.190 10.917 28.448 877 1HZ LYS 26 HZ1 LYS 26 20.336 12.837 27.778 878 2HZ LYS 26 HZ2 LYS 26 21.406 13.613 28.844 879 3HZ LYS 26 HZ3 LYS 26 20.621 12.183 29.317 880 H ILE 27 HN ILE 27 22.025 13.622 25.258 881 HA ILE 27 HA ILE 27 23.308 13.335 22.748 882 HB ILE 27 HB ILE 27 22.304 11.477 24.008 883 1HG1 ILE 27 HG12 ILE 27 20.953 11.788 21.306 884 2HG1 ILE 27 HG11 ILE 27 22.675 11.449 21.471 885 1HG2 ILE 27 HG21 ILE 27 20.263 12.798 24.720 886 2HG2 ILE 27 HG22 ILE 27 19.921 11.175 24.121 887 3HG2 ILE 27 HG23 ILE 27 19.633 12.573 23.086 888 1HD1 ILE 27 HD11 ILE 27 22.250 9.382 22.599 889 2HD1 ILE 27 HD12 ILE 27 21.228 9.403 21.165 890 3HD1 ILE 27 HD13 ILE 27 20.530 9.736 22.748 891 H HIS 28 HN HIS 28 20.346 14.925 23.762 892 HA HIS 28 HA HIS 28 19.219 15.269 21.172 893 1HB HIS 28 HB2 HIS 28 18.848 16.761 23.776 894 2HB HIS 28 HB1 HIS 28 17.911 17.119 22.327 895 HD1 HIS 28 HD1 HIS 28 16.895 14.667 21.241 896 HD2 HIS 28 HD2 HIS 28 17.499 14.959 25.356 897 HE1 HIS 28 HE1 HIS 28 15.446 12.883 22.307 898 HE2 HIS 28 HE2 HIS 28 15.804 13.048 24.815 899 H ALA 29 HN ALA 29 22.138 16.249 22.067 900 HA ALA 29 HA ALA 29 22.148 19.022 21.258 901 1HB ALA 29 HB1 ALA 29 23.839 18.214 22.815 902 2HB ALA 29 HB2 ALA 29 24.621 18.747 21.330 903 3HB ALA 29 HB3 ALA 29 24.397 17.025 21.642 904 H MET 30 HN MET 30 23.030 15.923 19.786 905 HA MET 30 HA MET 30 24.103 16.901 17.391 906 1HB MET 30 HB2 MET 30 23.804 14.668 16.534 907 2HB MET 30 HB1 MET 30 24.232 14.521 18.237 908 1HG MET 30 HG2 MET 30 21.656 14.486 18.661 909 2HG MET 30 HG1 MET 30 21.524 14.129 16.943 910 1HE MET 30 HE1 MET 30 20.859 10.881 19.089 911 2HE MET 30 HE2 MET 30 20.337 11.567 17.553 912 3HE MET 30 HE3 MET 30 20.302 12.556 19.008 913 H ASN 31 HN ASN 31 20.762 15.932 18.201 914 HA ASN 31 HA ASN 31 19.603 16.289 15.697 915 1HB ASN 31 HB2 ASN 31 18.372 16.963 18.379 916 2HB ASN 31 HB1 ASN 31 17.494 16.631 16.887 917 1HD2 ASN 31 HD21 ASN 31 18.254 14.373 15.858 918 2HD2 ASN 31 HD22 ASN 31 18.367 13.095 16.969 919 H SER 32 HN SER 32 20.171 18.700 18.256 920 HA SER 32 HA SER 32 18.985 20.871 16.815 921 1HB SER 32 HB2 SER 32 20.125 22.277 18.495 922 2HB SER 32 HB1 SER 32 19.271 20.930 19.245 923 HG SER 32 HG SER 32 21.144 20.458 20.065 924 H TYR 33 HN TYR 33 22.401 20.064 17.501 925 HA TYR 33 HA TYR 33 23.560 22.033 15.875 926 1HB TYR 33 HB2 TYR 33 24.834 20.788 17.568 927 2HB TYR 33 HB1 TYR 33 24.619 19.295 16.653 928 HD1 TYR 33 HD2 TYR 33 25.662 19.023 14.421 929 HD2 TYR 33 HD1 TYR 33 26.458 22.452 16.877 930 HE1 TYR 33 HE2 TYR 33 27.635 19.578 13.013 931 HE2 TYR 33 HE1 TYR 33 28.431 23.002 15.477 932 HH TYR 33 HH TYR 33 28.952 22.143 12.624 933 H TYR 34 HN TYR 34 22.752 18.641 15.177 934 HA TYR 34 HA TYR 34 23.767 18.462 12.582 935 1HB TYR 34 HB2 TYR 34 22.936 16.504 13.823 936 2HB TYR 34 HB1 TYR 34 21.291 17.136 13.737 937 HD1 TYR 34 HD2 TYR 34 20.056 17.180 11.631 938 HD2 TYR 34 HD1 TYR 34 24.029 15.551 11.845 939 HE1 TYR 34 HE2 TYR 34 19.752 16.146 9.398 940 HE2 TYR 34 HE1 TYR 34 23.718 14.524 9.604 941 HH TYR 34 HH TYR 34 22.093 15.158 7.489 942 H ARG 35 HN ARG 35 20.509 19.439 13.661 943 HA ARG 35 HA ARG 35 19.579 20.042 11.023 944 1HB ARG 35 HB2 ARG 35 18.069 19.470 12.915 945 2HB ARG 35 HB1 ARG 35 18.500 20.997 13.686 946 1HG ARG 35 HG2 ARG 35 17.594 22.261 11.812 947 2HG ARG 35 HG1 ARG 35 17.292 20.774 10.912 948 1HD ARG 35 HD2 ARG 35 16.032 21.439 13.583 949 2HD ARG 35 HD1 ARG 35 15.249 21.688 12.025 950 HE ARG 35 HE ARG 35 16.074 19.025 12.091 951 1HH1 ARG 35 HH21 ARG 35 13.981 21.167 13.826 952 2HH1 ARG 35 HH22 ARG 35 12.868 19.924 14.293 953 1HH2 ARG 35 HH11 ARG 35 14.620 17.390 12.701 954 2HH2 ARG 35 HH12 ARG 35 13.230 17.785 13.656 955 H SER 36 HN SER 36 21.409 21.755 13.419 956 HA SER 36 HA SER 36 20.828 24.406 12.527 957 1HB SER 36 HB2 SER 36 21.807 23.846 14.767 958 2HB SER 36 HB1 SER 36 23.316 23.444 13.954 959 HG SER 36 HG SER 36 23.323 25.601 14.653 960 H VAL 37 HN VAL 37 23.586 22.218 11.962 961 HA VAL 37 HA VAL 37 24.881 23.972 10.115 962 HB VAL 37 HB VAL 37 25.141 21.003 10.666 963 1HG1 VAL 37 HG11 VAL 37 27.336 21.321 9.280 964 2HG1 VAL 37 HG12 VAL 37 26.535 22.724 8.600 965 3HG1 VAL 37 HG13 VAL 37 25.827 21.119 8.402 966 1HG2 VAL 37 HG21 VAL 37 26.913 23.401 11.267 967 2HG2 VAL 37 HG22 VAL 37 27.333 21.724 11.618 968 3HG2 VAL 37 HG23 VAL 37 25.966 22.478 12.437 969 H VAL 38 HN VAL 38 23.072 20.927 9.559 970 HA VAL 38 HA VAL 38 23.073 20.905 6.795 971 HB VAL 38 HB VAL 38 20.867 20.082 8.706 972 1HG1 VAL 38 HG11 VAL 38 21.207 19.574 5.734 973 2HG1 VAL 38 HG12 VAL 38 19.816 20.285 6.551 974 3HG1 VAL 38 HG13 VAL 38 20.177 18.573 6.760 975 1HG2 VAL 38 HG21 VAL 38 21.836 17.870 8.468 976 2HG2 VAL 38 HG22 VAL 38 23.124 18.983 8.924 977 3HG2 VAL 38 HG23 VAL 38 22.966 18.448 7.255 978 H SER 39 HN SER 39 20.670 22.534 8.894 979 HA SER 39 HA SER 39 19.111 23.646 6.854 980 1HB SER 39 HB2 SER 39 19.713 24.685 9.633 981 2HB SER 39 HB1 SER 39 18.450 25.322 8.585 982 HG SER 39 HG SER 39 18.331 23.238 10.201 983 H THR 40 HN THR 40 22.125 24.746 8.333 984 HA THR 40 HA THR 40 22.149 27.329 7.094 985 HB THR 40 HB THR 40 24.506 25.734 8.123 986 HG1 THR 40 HG1 THR 40 23.893 27.365 9.937 987 1HG2 THR 40 HG21 THR 40 25.429 28.008 8.536 988 2HG2 THR 40 HG22 THR 40 24.028 28.692 7.714 989 3HG2 THR 40 HG23 THR 40 25.163 27.671 6.826 990 H LEU 41 HN LEU 41 23.864 24.282 6.389 991 HA LEU 41 HA LEU 41 25.325 25.101 4.170 992 1HB LEU 41 HB2 LEU 41 24.025 22.427 4.708 993 2HB LEU 41 HB1 LEU 41 25.263 22.703 3.489 994 HG LEU 41 HG LEU 41 25.627 23.221 6.458 995 1HD1 LEU 41 HD11 LEU 41 27.055 21.173 6.361 996 2HD1 LEU 41 HD12 LEU 41 26.495 20.903 4.712 997 3HD1 LEU 41 HD13 LEU 41 25.352 20.840 6.054 998 1HD2 LEU 41 HD21 LEU 41 27.463 23.431 4.055 999 2HD2 LEU 41 HD22 LEU 41 28.124 23.103 5.660 1000 3HD2 LEU 41 HD23 LEU 41 27.228 24.582 5.373 1001 H VAL 42 HN VAL 42 21.948 24.118 4.385 1002 HA VAL 42 HA VAL 42 21.512 24.245 1.514 1003 HB VAL 42 HB VAL 42 19.548 24.050 3.807 1004 1HG1 VAL 42 HG11 VAL 42 18.388 24.910 1.874 1005 2HG1 VAL 42 HG12 VAL 42 18.026 23.185 1.957 1006 3HG1 VAL 42 HG13 VAL 42 19.218 23.783 0.801 1007 1HG2 VAL 42 HG21 VAL 42 20.650 21.941 1.919 1008 2HG2 VAL 42 HG22 VAL 42 19.504 21.663 3.232 1009 3HG2 VAL 42 HG23 VAL 42 21.160 22.155 3.590 1010 H GLN 43 HN GLN 43 20.915 26.293 4.326 1011 HA GLN 43 HA GLN 43 20.042 28.490 2.525 1012 1HB GLN 43 HB2 GLN 43 18.312 27.684 4.155 1013 2HB GLN 43 HB1 GLN 43 19.398 28.150 5.465 1014 1HG GLN 43 HG2 GLN 43 19.388 30.475 4.689 1015 2HG GLN 43 HG1 GLN 43 18.382 30.031 3.313 1016 1HE2 GLN 43 HE21 GLN 43 16.205 30.456 3.646 1017 2HE2 GLN 43 HE22 GLN 43 15.432 30.465 5.157 1018 H ASP 44 HN ASP 44 22.343 28.865 2.197 1019 HA ASP 44 HA ASP 44 23.282 31.044 3.733 1020 1HB ASP 44 HB2 ASP 44 23.807 29.202 5.391 1021 2HB ASP 44 HB1 ASP 44 24.912 28.526 4.204 1022 H GLN 45 HN GLN 45 25.001 28.276 2.317 1023 HA GLN 45 HA GLN 45 26.559 30.061 0.605 1024 1HB GLN 45 HB2 GLN 45 27.655 28.178 1.768 1025 2HB GLN 45 HB1 GLN 45 26.616 27.047 0.907 1026 1HG GLN 45 HG2 GLN 45 28.788 27.174 -0.200 1027 2HG GLN 45 HG1 GLN 45 27.557 27.855 -1.256 1028 1HE2 GLN 45 HE21 GLN 45 28.828 29.456 -2.358 1029 2HE2 GLN 45 HE22 GLN 45 29.630 30.718 -1.554 1030 H LEU 46 HN LEU 46 25.069 26.927 -0.177 1031 HA LEU 46 HA LEU 46 23.794 26.233 -1.927 1032 1HB LEU 46 HB2 LEU 46 22.625 28.575 -1.208 1033 2HB LEU 46 HB1 LEU 46 23.123 29.022 -2.836 1034 HG LEU 46 HG LEU 46 21.451 26.592 -2.114 1035 1HD1 LEU 46 HD11 LEU 46 20.692 29.225 -3.417 1036 2HD1 LEU 46 HD12 LEU 46 20.237 28.711 -1.793 1037 3HD1 LEU 46 HD13 LEU 46 19.611 27.849 -3.199 1038 1HD2 LEU 46 HD21 LEU 46 22.274 27.775 -4.789 1039 2HD2 LEU 46 HD22 LEU 46 21.088 26.484 -4.591 1040 3HD2 LEU 46 HD23 LEU 46 22.771 26.210 -4.140 1041 H THR 47 HN THR 47 26.521 26.429 -2.276 1042 HA THR 47 HA THR 47 27.137 27.760 -4.784 1043 HB THR 47 HB THR 47 28.939 27.601 -3.195 1044 HG1 THR 47 HG1 THR 47 29.650 25.556 -4.946 1045 1HG2 THR 47 HG21 THR 47 28.506 24.600 -3.296 1046 2HG2 THR 47 HG22 THR 47 28.123 25.643 -1.926 1047 3HG2 THR 47 HG23 THR 47 29.798 25.429 -2.428 1048 H LYS 48 HN LYS 48 26.129 24.614 -3.726 1049 HA LYS 48 HA LYS 48 25.370 23.740 -6.297 1050 1HB LYS 48 HB2 LYS 48 27.871 23.599 -6.615 1051 2HB LYS 48 HB1 LYS 48 27.914 22.421 -5.316 1052 1HG LYS 48 HG2 LYS 48 26.490 20.912 -6.547 1053 2HG LYS 48 HG1 LYS 48 26.242 22.112 -7.815 1054 1HD LYS 48 HD2 LYS 48 28.675 22.072 -8.296 1055 2HD LYS 48 HD1 LYS 48 28.880 20.824 -7.066 1056 1HE LYS 48 HE2 LYS 48 27.354 19.342 -8.315 1057 2HE LYS 48 HE1 LYS 48 27.154 20.587 -9.545 1058 1HZ LYS 48 HZ1 LYS 48 29.239 20.275 -10.347 1059 2HZ LYS 48 HZ2 LYS 48 28.959 18.702 -9.770 1060 3HZ LYS 48 HZ3 LYS 48 29.879 19.795 -8.851 1061 H ASN 49 HN ASN 49 24.198 21.809 -6.202 1062 HA ASN 49 HA ASN 49 23.242 20.995 -3.670 1063 1HB ASN 49 HB2 ASN 49 22.094 19.192 -4.892 1064 2HB ASN 49 HB1 ASN 49 21.895 20.743 -5.706 1065 1HD2 ASN 49 HD21 ASN 49 22.372 17.609 -6.472 1066 2HD2 ASN 49 HD22 ASN 49 23.357 17.771 -7.844 1067 H ALA 50 HN ALA 50 25.521 19.491 -5.938 1068 HA ALA 50 HA ALA 50 25.962 17.120 -4.493 1069 1HB ALA 50 HB1 ALA 50 26.741 17.556 -6.842 1070 2HB ALA 50 HB2 ALA 50 27.967 16.846 -5.793 1071 3HB ALA 50 HB3 ALA 50 28.024 18.566 -6.168 1072 H VAL 51 HN VAL 51 27.510 20.297 -4.258 1073 HA VAL 51 HA VAL 51 29.610 19.595 -2.515 1074 HB VAL 51 HB VAL 51 28.055 22.150 -2.964 1075 1HG1 VAL 51 HG11 VAL 51 28.644 22.467 -0.684 1076 2HG1 VAL 51 HG12 VAL 51 29.949 23.252 -1.566 1077 3HG1 VAL 51 HG13 VAL 51 30.195 21.649 -0.883 1078 1HG2 VAL 51 HG21 VAL 51 29.810 21.194 -4.608 1079 2HG2 VAL 51 HG22 VAL 51 31.009 21.605 -3.384 1080 3HG2 VAL 51 HG23 VAL 51 30.023 22.875 -4.109 1081 H VAL 52 HN VAL 52 26.520 21.136 -1.547 1082 HA VAL 52 HA VAL 52 26.839 20.782 1.191 1083 HB VAL 52 HB VAL 52 24.315 20.919 1.296 1084 1HG1 VAL 52 HG11 VAL 52 25.634 22.869 -0.627 1085 2HG1 VAL 52 HG12 VAL 52 25.741 22.957 1.132 1086 3HG1 VAL 52 HG13 VAL 52 24.184 23.162 0.333 1087 1HG2 VAL 52 HG21 VAL 52 23.120 21.241 -0.830 1088 2HG2 VAL 52 HG22 VAL 52 23.874 19.647 -0.787 1089 3HG2 VAL 52 HG23 VAL 52 24.613 20.951 -1.718 1090 H LEU 53 HN LEU 53 25.713 18.514 -1.247 1091 HA LEU 53 HA LEU 53 24.556 16.588 0.411 1092 1HB LEU 53 HB2 LEU 53 24.830 16.756 -2.237 1093 2HB LEU 53 HB1 LEU 53 26.214 15.716 -1.954 1094 HG LEU 53 HG LEU 53 24.308 14.316 -2.438 1095 1HD1 LEU 53 HD11 LEU 53 24.666 14.202 0.562 1096 2HD1 LEU 53 HD12 LEU 53 25.921 13.678 -0.565 1097 3HD1 LEU 53 HD13 LEU 53 24.351 12.868 -0.544 1098 1HD2 LEU 53 HD21 LEU 53 22.690 15.107 -0.054 1099 2HD2 LEU 53 HD22 LEU 53 22.173 14.633 -1.672 1100 3HD2 LEU 53 HD23 LEU 53 22.707 16.281 -1.370 1101 H LYS 54 HN LYS 54 27.899 16.505 -0.881 1102 HA LYS 54 HA LYS 54 28.772 14.370 0.721 1103 1HB LYS 54 HB2 LYS 54 31.103 15.315 0.289 1104 2HB LYS 54 HB1 LYS 54 30.128 15.020 -1.150 1105 1HG LYS 54 HG2 LYS 54 29.496 17.353 -1.250 1106 2HG LYS 54 HG1 LYS 54 30.337 17.693 0.247 1107 1HD LYS 54 HD2 LYS 54 31.622 18.478 -1.630 1108 2HD LYS 54 HD1 LYS 54 32.474 17.139 -0.866 1109 1HE LYS 54 HE2 LYS 54 31.868 15.640 -2.629 1110 2HE LYS 54 HE1 LYS 54 30.656 16.758 -3.256 1111 1HZ LYS 54 HZ1 LYS 54 32.201 18.004 -4.286 1112 2HZ LYS 54 HZ2 LYS 54 33.109 16.569 -4.244 1113 3HZ LYS 54 HZ3 LYS 54 33.370 17.778 -3.079 1114 H ARG 55 HN ARG 55 28.601 17.829 1.364 1115 HA ARG 55 HA ARG 55 30.119 17.859 3.721 1116 1HB ARG 55 HB2 ARG 55 29.384 19.881 2.384 1117 2HB ARG 55 HB1 ARG 55 27.777 19.660 3.068 1118 1HG ARG 55 HG2 ARG 55 28.986 21.317 4.376 1119 2HG ARG 55 HG1 ARG 55 28.733 19.874 5.351 1120 1HD ARG 55 HD2 ARG 55 31.001 19.324 5.355 1121 2HD ARG 55 HD1 ARG 55 31.299 20.084 3.794 1122 HE ARG 55 HE ARG 55 31.552 21.322 6.355 1123 1HH1 ARG 55 HH21 ARG 55 30.569 21.853 3.079 1124 2HH1 ARG 55 HH22 ARG 55 30.959 23.540 3.092 1125 1HH2 ARG 55 HH11 ARG 55 32.075 23.532 6.374 1126 2HH2 ARG 55 HH12 ARG 55 31.811 24.490 4.956 1127 H ILE 56 HN ILE 56 26.741 17.121 3.080 1128 HA ILE 56 HA ILE 56 25.929 17.045 5.831 1129 HB ILE 56 HB ILE 56 24.720 15.921 3.292 1130 1HG1 ILE 56 HG12 ILE 56 23.773 18.192 5.060 1131 2HG1 ILE 56 HG11 ILE 56 24.835 18.444 3.697 1132 1HG2 ILE 56 HG21 ILE 56 22.617 15.719 4.764 1133 2HG2 ILE 56 HG22 ILE 56 23.705 15.847 6.147 1134 3HG2 ILE 56 HG23 ILE 56 23.863 14.503 5.016 1135 1HD1 ILE 56 HD11 ILE 56 22.133 17.113 3.543 1136 2HD1 ILE 56 HD12 ILE 56 23.198 17.470 2.187 1137 3HD1 ILE 56 HD13 ILE 56 22.459 18.787 3.095 1138 H GLN 57 HN GLN 57 26.880 14.561 3.464 1139 HA GLN 57 HA GLN 57 26.465 12.292 5.014 1140 1HB GLN 57 HB2 GLN 57 28.590 12.859 2.926 1141 2HB GLN 57 HB1 GLN 57 28.241 11.257 3.579 1142 1HG GLN 57 HG2 GLN 57 25.939 11.395 2.778 1143 2HG GLN 57 HG1 GLN 57 26.216 13.035 2.195 1144 1HE2 GLN 57 HE21 GLN 57 25.557 10.469 0.664 1145 2HE2 GLN 57 HE22 GLN 57 26.785 10.351 -0.502 1146 H HIS 58 HN HIS 58 28.915 14.743 5.223 1147 HA HIS 58 HA HIS 58 30.826 13.230 6.713 1148 1HB HIS 58 HB2 HIS 58 30.401 16.226 6.563 1149 2HB HIS 58 HB1 HIS 58 31.798 15.430 7.277 1150 HD1 HIS 58 HD1 HIS 58 32.612 17.146 5.024 1151 HD2 HIS 58 HD2 HIS 58 31.181 13.289 4.348 1152 HE1 HIS 58 HE1 HIS 58 33.467 16.454 2.742 1153 HE2 HIS 58 HE2 HIS 58 32.607 14.103 2.318 1154 H LEU 59 HN LEU 59 28.217 15.470 7.607 1155 HA LEU 59 HA LEU 59 28.667 15.573 10.351 1156 1HB LEU 59 HB2 LEU 59 26.507 16.229 8.560 1157 2HB LEU 59 HB1 LEU 59 25.816 15.459 9.975 1158 HG LEU 59 HG LEU 59 25.944 17.905 10.238 1159 1HD1 LEU 59 HD11 LEU 59 26.734 15.986 12.129 1160 2HD1 LEU 59 HD12 LEU 59 26.282 17.657 12.451 1161 3HD1 LEU 59 HD13 LEU 59 27.979 17.232 12.249 1162 1HD2 LEU 59 HD21 LEU 59 28.302 17.787 8.850 1163 2HD2 LEU 59 HD22 LEU 59 28.909 17.941 10.502 1164 3HD2 LEU 59 HD23 LEU 59 27.808 19.144 9.850 1165 H ASP 60 HN ASP 60 27.645 12.896 8.463 1166 HA ASP 60 HA ASP 60 26.218 11.426 10.388 1167 1HB ASP 60 HB2 ASP 60 28.028 10.382 8.191 1168 2HB ASP 60 HB1 ASP 60 26.867 9.415 9.099 1169 H GLU 61 HN GLU 61 29.713 11.554 9.702 1170 HA GLU 61 HA GLU 61 30.496 9.634 11.626 1171 1HB GLU 61 HB2 GLU 61 32.710 10.272 11.120 1172 2HB GLU 61 HB1 GLU 61 31.839 10.704 9.653 1173 1HG GLU 61 HG2 GLU 61 31.606 13.065 10.702 1174 2HG GLU 61 HG1 GLU 61 32.821 12.541 11.853 1175 H ALA 62 HN ALA 62 29.965 13.112 11.812 1176 HA ALA 62 HA ALA 62 31.009 13.415 14.461 1177 1HB ALA 62 HB1 ALA 62 30.788 15.240 12.743 1178 2HB ALA 62 HB2 ALA 62 30.131 15.645 14.325 1179 3HB ALA 62 HB3 ALA 62 29.046 15.200 13.008 1180 H TYR 63 HN TYR 63 27.673 13.387 13.166 1181 HA TYR 63 HA TYR 63 26.259 13.604 15.508 1182 1HB TYR 63 HB2 TYR 63 24.712 13.557 13.791 1183 2HB TYR 63 HB1 TYR 63 25.742 12.535 12.795 1184 HD1 TYR 63 HD1 TYR 63 25.739 10.091 13.054 1185 HD2 TYR 63 HD2 TYR 63 22.996 12.566 15.245 1186 HE1 TYR 63 HE1 TYR 63 24.402 8.088 13.642 1187 HE2 TYR 63 HE2 TYR 63 21.658 10.562 15.831 1188 HH TYR 63 HH TYR 63 22.047 7.575 14.311 1189 H ASN 64 HN ASN 64 27.834 10.751 14.133 1190 HA ASN 64 HA ASN 64 26.769 8.809 15.906 1191 1HB ASN 64 HB2 ASN 64 27.837 8.216 13.776 1192 2HB ASN 64 HB1 ASN 64 29.382 8.816 14.374 1193 1HD2 ASN 64 HD21 ASN 64 26.886 6.318 14.987 1194 2HD2 ASN 64 HD22 ASN 64 27.938 5.239 15.765 1195 H LYS 65 HN LYS 65 29.594 10.919 16.044 1196 HA LYS 65 HA LYS 65 30.944 9.760 18.188 1197 1HB LYS 65 HB2 LYS 65 31.638 11.765 16.716 1198 2HB LYS 65 HB1 LYS 65 30.683 12.756 17.816 1199 1HG LYS 65 HG2 LYS 65 32.746 12.884 18.917 1200 2HG LYS 65 HG1 LYS 65 32.118 11.435 19.685 1201 1HD LYS 65 HD2 LYS 65 33.320 10.044 18.004 1202 2HD LYS 65 HD1 LYS 65 33.985 11.514 17.290 1203 1HE LYS 65 HE2 LYS 65 35.609 10.552 18.848 1204 2HE LYS 65 HE1 LYS 65 35.006 12.084 19.485 1205 1HZ LYS 65 HZ1 LYS 65 34.846 9.523 20.636 1206 2HZ LYS 65 HZ2 LYS 65 33.271 10.088 20.338 1207 3HZ LYS 65 HZ3 LYS 65 34.343 11.008 21.283 1208 H VAL 66 HN VAL 66 28.207 12.004 18.171 1209 HA VAL 66 HA VAL 66 28.135 12.474 20.958 1210 HB VAL 66 HB VAL 66 25.940 12.668 18.889 1211 1HG1 VAL 66 HG11 VAL 66 26.157 13.689 21.743 1212 2HG1 VAL 66 HG12 VAL 66 24.930 12.602 21.093 1213 3HG1 VAL 66 HG13 VAL 66 24.966 14.291 20.589 1214 1HG2 VAL 66 HG21 VAL 66 27.969 14.058 18.478 1215 2HG2 VAL 66 HG22 VAL 66 27.774 14.764 20.082 1216 3HG2 VAL 66 HG23 VAL 66 26.548 15.039 18.845 1217 H LYS 67 HN LYS 67 26.636 10.103 18.872 1218 HA LYS 67 HA LYS 67 24.868 8.953 20.730 1219 1HB LYS 67 HB2 LYS 67 26.267 7.781 18.345 1220 2HB LYS 67 HB1 LYS 67 24.831 7.122 19.112 1221 1HG LYS 67 HG2 LYS 67 24.773 10.021 18.234 1222 2HG LYS 67 HG1 LYS 67 24.635 8.791 17.032 1223 1HD LYS 67 HD2 LYS 67 22.858 9.009 19.478 1224 2HD LYS 67 HD1 LYS 67 22.443 9.615 17.884 1225 1HE LYS 67 HE2 LYS 67 23.019 7.029 17.212 1226 2HE LYS 67 HE1 LYS 67 22.432 6.796 18.861 1227 1HZ LYS 67 HZ1 LYS 67 20.787 6.882 16.839 1228 2HZ LYS 67 HZ2 LYS 67 20.911 8.561 17.071 1229 3HZ LYS 67 HZ3 LYS 67 20.361 7.566 18.333 1230 H ARG 68 HN ARG 68 28.138 8.078 19.690 1231 HA ARG 68 HA ARG 68 28.345 5.970 21.695 1232 1HB ARG 68 HB2 ARG 68 29.990 7.009 19.406 1233 2HB ARG 68 HB1 ARG 68 30.790 6.040 20.630 1234 1HG ARG 68 HG2 ARG 68 28.228 5.048 19.347 1235 2HG ARG 68 HG1 ARG 68 29.763 4.845 18.512 1236 1HD ARG 68 HD2 ARG 68 29.259 3.856 21.339 1237 2HD ARG 68 HD1 ARG 68 29.087 2.863 19.898 1238 HE ARG 68 HE ARG 68 31.624 4.027 19.801 1239 1HH1 ARG 68 HH21 ARG 68 29.803 1.847 21.777 1240 2HH1 ARG 68 HH22 ARG 68 31.185 0.925 22.270 1241 1HH2 ARG 68 HH11 ARG 68 33.436 2.820 20.435 1242 2HH2 ARG 68 HH12 ARG 68 33.241 1.476 21.511 1243 H GLY 69 HN GLY 69 28.860 9.314 21.547 1244 1HA GLY 69 HA2 GLY 69 31.011 9.382 23.560 1245 2HA GLY 69 HA1 GLY 69 30.306 10.760 22.722 1246 H GLU 70 HN GLU 70 27.570 10.126 23.215 1247 HA GLU 70 HA GLU 70 27.234 11.335 25.762 1248 1HB GLU 70 HB2 GLU 70 24.858 11.116 25.368 1249 2HB GLU 70 HB1 GLU 70 25.640 11.596 23.865 1250 1HG GLU 70 HG2 GLU 70 24.562 9.815 22.911 1251 2HG GLU 70 HG1 GLU 70 25.763 8.824 23.714 1252 H SER 71 HN SER 71 25.121 10.006 26.926 1253 HA SER 71 HA SER 71 26.256 8.282 28.722 1254 1HB SER 71 HB2 SER 71 24.014 9.096 29.059 1255 2HB SER 71 HB1 SER 71 23.438 8.242 27.630 1256 HG SER 71 HG SER 71 23.554 6.376 28.679 1257 H LYS 72 HN LYS 72 27.486 6.553 28.278 1258 HA LYS 72 HA LYS 72 26.435 4.158 27.283 1259 1HB LYS 72 HB2 LYS 72 27.065 5.954 25.147 1260 2HB LYS 72 HB1 LYS 72 28.356 4.764 25.141 1261 1HG LYS 72 HG2 LYS 72 26.735 2.944 25.008 1262 2HG LYS 72 HG1 LYS 72 25.399 4.088 25.142 1263 1HD LYS 72 HD2 LYS 72 26.083 5.153 23.050 1264 2HD LYS 72 HD1 LYS 72 27.444 4.043 22.909 1265 1HE LYS 72 HE2 LYS 72 25.888 2.141 22.815 1266 2HE LYS 72 HE1 LYS 72 24.522 3.246 22.973 1267 1HZ LYS 72 HZ1 LYS 72 25.306 4.355 20.928 1268 2HZ LYS 72 HZ2 LYS 72 24.841 2.740 20.677 1269 3HZ LYS 72 HZ3 LYS 72 26.488 3.151 20.753 1270 H LEU 73 HN LEU 73 28.496 5.717 29.036 1271 HA LEU 73 HA LEU 73 30.170 3.510 29.569 1272 1HB LEU 73 HB2 LEU 73 31.236 4.216 27.412 1273 2HB LEU 73 HB1 LEU 73 31.552 5.791 28.112 1274 HG LEU 73 HG LEU 73 32.892 4.638 29.918 1275 1HD1 LEU 73 HD11 LEU 73 32.216 2.411 30.034 1276 2HD1 LEU 73 HD12 LEU 73 33.691 2.245 29.091 1277 3HD1 LEU 73 HD13 LEU 73 32.123 2.217 28.284 1278 1HD2 LEU 73 HD21 LEU 73 33.944 5.672 27.917 1279 2HD2 LEU 73 HD22 LEU 73 33.808 4.134 27.064 1280 3HD2 LEU 73 HD23 LEU 73 34.853 4.267 28.477 1281 H GLU 74 HN GLU 74 31.691 6.602 29.632 1282 HA GLU 74 HA GLU 74 32.534 7.730 31.498 1283 1HB GLU 74 HB2 GLU 74 30.748 8.982 32.686 1284 2HB GLU 74 HB1 GLU 74 30.515 9.002 30.943 1285 1HG GLU 74 HG2 GLU 74 28.799 7.299 31.089 1286 2HG GLU 74 HG1 GLU 74 29.111 7.056 32.804 1287 H HIS 75 HN HIS 75 32.101 4.789 31.891 1288 HA HIS 75 HA HIS 75 31.059 4.029 34.313 1289 1HB HIS 75 HB2 HIS 75 33.015 2.312 34.305 1290 2HB HIS 75 HB1 HIS 75 31.915 2.305 32.927 1291 HD1 HIS 75 HD1 HIS 75 34.019 5.241 32.742 1292 HD2 HIS 75 HD2 HIS 75 34.442 1.240 31.649 1293 HE1 HIS 75 HE1 HIS 75 35.941 5.147 31.095 1294 HE2 HIS 75 HE2 HIS 75 36.212 2.714 30.420 1295 H HIS 76 HN HIS 76 34.575 4.107 34.223 1296 HA HIS 76 HA HIS 76 34.590 5.372 36.892 1297 1HB HIS 76 HB2 HIS 76 36.723 3.885 35.332 1298 2HB HIS 76 HB1 HIS 76 36.938 4.566 36.946 1299 HD1 HIS 76 HD1 HIS 76 35.144 1.826 35.100 1300 HD2 HIS 76 HD2 HIS 76 35.615 3.144 39.027 1301 HE1 HIS 76 HE1 HIS 76 34.211 -0.001 36.586 1302 HE2 HIS 76 HE2 HIS 76 34.492 0.787 38.983 1303 H HIS 77 HN HIS 77 36.186 7.004 37.348 1304 HA HIS 77 HA HIS 77 37.512 8.405 35.201 1305 1HB HIS 77 HB2 HIS 77 35.147 9.162 34.915 1306 2HB HIS 77 HB1 HIS 77 35.186 9.800 36.558 1307 HD1 HIS 77 HD1 HIS 77 36.173 12.095 36.863 1308 HD2 HIS 77 HD2 HIS 77 37.139 10.464 33.150 1309 HE1 HIS 77 HE1 HIS 77 37.365 13.917 35.568 1310 HE2 HIS 77 HE2 HIS 77 37.961 12.937 33.302 1311 H HIS 78 HN HIS 78 39.158 9.605 35.956 1312 HA HIS 78 HA HIS 78 39.852 9.395 38.722 1313 1HB HIS 78 HB2 HIS 78 41.084 10.985 36.455 1314 2HB HIS 78 HB1 HIS 78 41.801 10.796 38.055 1315 HD1 HIS 78 HD1 HIS 78 41.283 9.026 34.829 1316 HD2 HIS 78 HD2 HIS 78 42.636 8.081 38.657 1317 HE1 HIS 78 HE1 HIS 78 42.418 6.769 34.651 1318 HE2 HIS 78 HE2 HIS 78 43.248 6.179 36.977 1319 H HIS 79 HN HIS 79 40.050 11.039 40.250 1320 HA HIS 79 HA HIS 79 37.965 12.914 40.362 1321 1HB HIS 79 HB2 HIS 79 40.596 12.818 41.860 1322 2HB HIS 79 HB1 HIS 79 39.254 13.883 42.278 1323 HD1 HIS 79 HD1 HIS 79 40.325 10.294 42.351 1324 HD2 HIS 79 HD2 HIS 79 36.980 12.550 43.400 1325 HE1 HIS 79 HE1 HIS 79 38.844 8.777 43.736 1326 HE2 HIS 79 HE2 HIS 79 36.800 10.138 44.384 1327 H HIS 80 HN HIS 80 41.373 13.289 39.447 1328 HA HIS 80 HA HIS 80 41.174 16.128 39.004 1329 1HB HIS 80 HB2 HIS 80 43.417 15.880 38.008 1330 2HB HIS 80 HB1 HIS 80 43.314 15.089 39.581 1331 HD1 HIS 80 HD1 HIS 80 43.124 14.229 35.878 1332 HD2 HIS 80 HD2 HIS 80 43.910 12.373 39.527 1333 HE1 HIS 80 HE1 HIS 80 43.884 11.874 35.335 1334 HE2 HIS 80 HE2 HIS 80 44.367 10.730 37.550 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -3.779 9.633 -8.550 2 2H MET 1 HT2 MET 1 -3.439 8.841 -7.086 3 3H MET 1 HT3 MET 1 -4.926 9.637 -7.300 4 HA MET 1 HA MET 1 -5.758 7.670 -7.879 5 1HB MET 1 HB2 MET 1 -3.946 8.200 -10.253 6 2HB MET 1 HB1 MET 1 -5.234 6.996 -10.240 7 1HG MET 1 HG2 MET 1 -6.876 8.789 -9.720 8 2HG MET 1 HG1 MET 1 -5.577 9.976 -9.800 9 1HE MET 1 HE1 MET 1 -8.321 8.226 -11.656 10 2HE MET 1 HE2 MET 1 -7.105 6.954 -11.728 11 3HE MET 1 HE3 MET 1 -7.636 7.739 -13.212 12 H SER 2 HN SER 2 -2.337 7.507 -8.896 13 HA SER 2 HA SER 2 -2.134 4.699 -8.247 14 1HB SER 2 HB2 SER 2 0.008 4.806 -9.192 15 2HB SER 2 HB1 SER 2 -0.823 6.106 -10.043 16 HG SER 2 HG SER 2 0.931 6.276 -7.823 17 H GLU 3 HN GLU 3 -0.002 4.142 -6.930 18 HA GLU 3 HA GLU 3 -0.533 4.912 -4.229 19 1HB GLU 3 HB2 GLU 3 1.745 3.356 -5.472 20 2HB GLU 3 HB1 GLU 3 1.518 3.557 -3.734 21 1HG GLU 3 HG2 GLU 3 -0.683 2.484 -3.874 22 2HG GLU 3 HG1 GLU 3 -0.509 2.320 -5.620 23 H LEU 4 HN LEU 4 0.705 6.135 -2.825 24 HA LEU 4 HA LEU 4 1.953 7.980 -2.220 25 1HB LEU 4 HB2 LEU 4 3.836 6.947 -4.349 26 2HB LEU 4 HB1 LEU 4 4.254 7.969 -2.976 27 HG LEU 4 HG LEU 4 3.177 5.137 -2.803 28 1HD1 LEU 4 HD11 LEU 4 5.952 6.272 -2.359 29 2HD1 LEU 4 HD12 LEU 4 5.456 5.187 -3.659 30 3HD1 LEU 4 HD13 LEU 4 5.472 4.615 -1.990 31 1HD2 LEU 4 HD21 LEU 4 4.002 5.453 -0.351 32 2HD2 LEU 4 HD22 LEU 4 2.480 6.206 -0.798 33 3HD2 LEU 4 HD23 LEU 4 3.945 7.184 -0.694 34 H PHE 5 HN PHE 5 0.251 7.904 -4.880 35 HA PHE 5 HA PHE 5 1.318 9.848 -6.613 36 1HB PHE 5 HB2 PHE 5 -0.583 8.404 -7.215 37 2HB PHE 5 HB1 PHE 5 -1.589 9.224 -6.020 38 HD1 PHE 5 HD1 PHE 5 0.193 9.569 -9.238 39 HD2 PHE 5 HD2 PHE 5 -2.436 11.484 -6.432 40 HE1 PHE 5 HE1 PHE 5 -0.326 11.318 -10.918 41 HE2 PHE 5 HE2 PHE 5 -2.955 13.233 -8.112 42 HZ PHE 5 HZ PHE 5 -1.900 13.150 -10.356 43 H SER 6 HN SER 6 -0.921 10.153 -3.868 44 HA SER 6 HA SER 6 -0.801 13.082 -4.020 45 1HB SER 6 HB2 SER 6 -2.295 11.451 -1.945 46 2HB SER 6 HB1 SER 6 -2.657 13.066 -2.548 47 HG SER 6 HG SER 6 -3.340 10.630 -3.546 48 H VAL 7 HN VAL 7 0.527 14.269 -2.811 49 HA VAL 7 HA VAL 7 2.505 13.154 -1.170 50 HB VAL 7 HB VAL 7 1.667 16.009 -0.669 51 1HG1 VAL 7 HG11 VAL 7 4.008 16.421 -0.699 52 2HG1 VAL 7 HG12 VAL 7 4.341 14.806 -1.322 53 3HG1 VAL 7 HG13 VAL 7 3.699 15.012 0.312 54 1HG2 VAL 7 HG21 VAL 7 2.838 16.651 -2.840 55 2HG2 VAL 7 HG22 VAL 7 1.231 15.957 -3.028 56 3HG2 VAL 7 HG23 VAL 7 2.657 14.966 -3.335 57 HA PRO 8 HA PRO 8 -0.506 14.825 2.476 58 1HB PRO 8 HB2 PRO 8 -2.842 13.431 1.146 59 2HB PRO 8 HB1 PRO 8 -2.855 14.799 2.282 60 1HG PRO 8 HG2 PRO 8 -3.163 15.178 -0.351 61 2HG PRO 8 HG1 PRO 8 -2.266 16.336 0.649 62 1HD PRO 8 HD2 PRO 8 -1.237 14.428 -1.357 63 2HD PRO 8 HD1 PRO 8 -0.507 15.912 -0.769 64 H TYR 9 HN TYR 9 -0.561 11.854 0.578 65 HA TYR 9 HA TYR 9 -1.296 10.021 2.572 66 1HB TYR 9 HB2 TYR 9 -1.176 9.371 0.217 67 2HB TYR 9 HB1 TYR 9 0.562 9.665 0.200 68 HD1 TYR 9 HD1 TYR 9 -2.122 7.475 1.501 69 HD2 TYR 9 HD2 TYR 9 2.132 8.074 1.216 70 HE1 TYR 9 HE1 TYR 9 -1.740 5.165 2.321 71 HE2 TYR 9 HE2 TYR 9 2.504 5.765 2.033 72 HH TYR 9 HH TYR 9 1.560 3.920 2.839 73 H PHE 10 HN PHE 10 1.934 11.158 1.572 74 HA PHE 10 HA PHE 10 3.365 9.605 3.441 75 1HB PHE 10 HB2 PHE 10 4.007 11.483 1.394 76 2HB PHE 10 HB1 PHE 10 4.727 12.168 2.850 77 HD1 PHE 10 HD1 PHE 10 4.686 9.270 0.551 78 HD2 PHE 10 HD2 PHE 10 6.552 11.006 4.010 79 HE1 PHE 10 HE1 PHE 10 6.534 7.624 0.382 80 HE2 PHE 10 HE2 PHE 10 8.399 9.360 3.840 81 HZ PHE 10 HZ PHE 10 8.382 7.669 2.028 82 H ILE 11 HN ILE 11 2.187 12.956 3.589 83 HA ILE 11 HA ILE 11 3.235 13.559 6.118 84 HB ILE 11 HB ILE 11 0.764 14.626 4.745 85 1HG1 ILE 11 HG12 ILE 11 3.650 15.575 4.884 86 2HG1 ILE 11 HG11 ILE 11 2.830 14.937 3.471 87 1HG2 ILE 11 HG21 ILE 11 0.708 15.079 7.190 88 2HG2 ILE 11 HG22 ILE 11 0.992 16.545 6.287 89 3HG2 ILE 11 HG23 ILE 11 2.336 15.750 7.097 90 1HD1 ILE 11 HD11 ILE 11 2.780 17.291 3.199 91 2HD1 ILE 11 HD12 ILE 11 2.321 17.554 4.880 92 3HD1 ILE 11 HD13 ILE 11 1.158 16.864 3.744 93 H GLU 12 HN GLU 12 0.065 12.301 5.169 94 HA GLU 12 HA GLU 12 -1.251 12.262 7.571 95 1HB GLU 12 HB2 GLU 12 -2.095 11.455 5.319 96 2HB GLU 12 HB1 GLU 12 -1.261 9.932 5.627 97 1HG GLU 12 HG2 GLU 12 -2.552 9.660 7.715 98 2HG GLU 12 HG1 GLU 12 -3.391 11.171 7.375 99 H ASN 13 HN ASN 13 1.357 10.118 6.529 100 HA ASN 13 HA ASN 13 1.153 8.151 8.535 101 1HB ASN 13 HB2 ASN 13 3.679 9.206 7.249 102 2HB ASN 13 HB1 ASN 13 3.469 7.642 8.029 103 1HD2 ASN 13 HD21 ASN 13 4.244 7.904 5.250 104 2HD2 ASN 13 HD22 ASN 13 2.982 7.277 4.304 105 H LEU 14 HN LEU 14 2.634 11.354 8.512 106 HA LEU 14 HA LEU 14 3.875 11.061 11.102 107 1HB LEU 14 HB2 LEU 14 3.364 13.501 9.374 108 2HB LEU 14 HB1 LEU 14 4.224 13.537 10.910 109 HG LEU 14 HG LEU 14 5.666 11.551 9.693 110 1HD1 LEU 14 HD11 LEU 14 5.879 11.790 7.379 111 2HD1 LEU 14 HD12 LEU 14 5.120 13.366 7.360 112 3HD1 LEU 14 HD13 LEU 14 4.143 11.923 7.604 113 1HD2 LEU 14 HD21 LEU 14 6.058 14.524 9.262 114 2HD2 LEU 14 HD22 LEU 14 7.295 13.291 9.052 115 3HD2 LEU 14 HD23 LEU 14 6.612 13.585 10.645 116 H LYS 15 HN LYS 15 0.906 12.522 9.850 117 HA LYS 15 HA LYS 15 0.117 13.784 12.232 118 1HB LYS 15 HB2 LYS 15 -1.515 12.716 9.921 119 2HB LYS 15 HB1 LYS 15 -2.177 13.690 11.235 120 1HG LYS 15 HG2 LYS 15 -0.634 15.524 10.689 121 2HG LYS 15 HG1 LYS 15 0.105 14.538 9.434 122 1HD LYS 15 HD2 LYS 15 -1.421 15.985 8.295 123 2HD LYS 15 HD1 LYS 15 -2.199 14.405 8.331 124 1HE LYS 15 HE2 LYS 15 -3.668 15.081 10.114 125 2HE LYS 15 HE1 LYS 15 -2.747 16.556 10.406 126 1HZ LYS 15 HZ1 LYS 15 -4.467 17.323 9.133 127 2HZ LYS 15 HZ2 LYS 15 -4.581 15.904 8.207 128 3HZ LYS 15 HZ3 LYS 15 -3.317 17.005 7.928 129 H GLN 16 HN GLN 16 -0.262 10.501 11.043 130 HA GLN 16 HA GLN 16 -2.176 9.586 12.889 131 1HB GLN 16 HB2 GLN 16 -1.500 8.321 10.890 132 2HB GLN 16 HB1 GLN 16 0.091 8.053 11.605 133 1HG GLN 16 HG2 GLN 16 -0.851 6.763 13.413 134 2HG GLN 16 HG1 GLN 16 -2.493 7.191 12.941 135 1HE2 GLN 16 HE21 GLN 16 -1.787 4.471 13.133 136 2HE2 GLN 16 HE22 GLN 16 -1.730 3.794 11.578 137 H HIS 17 HN HIS 17 1.259 10.154 13.208 138 HA HIS 17 HA HIS 17 1.574 8.653 15.643 139 1HB HIS 17 HB2 HIS 17 3.203 10.811 14.300 140 2HB HIS 17 HB1 HIS 17 3.684 10.050 15.784 141 HD1 HIS 17 HD1 HIS 17 4.676 9.795 12.532 142 HD2 HIS 17 HD2 HIS 17 3.117 6.913 15.110 143 HE1 HIS 17 HE1 HIS 17 5.367 7.546 11.596 144 HE2 HIS 17 HE2 HIS 17 4.419 5.779 13.155 145 H ILE 18 HN ILE 18 1.466 12.177 15.015 146 HA ILE 18 HA ILE 18 1.290 12.904 17.769 147 HB ILE 18 HB ILE 18 1.090 15.127 17.003 148 1HG1 ILE 18 HG12 ILE 18 -0.206 13.966 14.527 149 2HG1 ILE 18 HG11 ILE 18 -0.932 15.042 15.699 150 1HG2 ILE 18 HG21 ILE 18 2.935 15.293 15.571 151 2HG2 ILE 18 HG22 ILE 18 2.364 14.022 14.491 152 3HG2 ILE 18 HG23 ILE 18 3.100 13.602 16.032 153 1HD1 ILE 18 HD11 ILE 18 0.904 16.728 14.979 154 2HD1 ILE 18 HD12 ILE 18 -0.461 16.455 13.894 155 3HD1 ILE 18 HD13 ILE 18 1.090 15.683 13.567 156 H GLU 19 HN GLU 19 -1.119 12.464 15.201 157 HA GLU 19 HA GLU 19 -3.374 13.372 16.631 158 1HB GLU 19 HB2 GLU 19 -3.313 12.992 14.170 159 2HB GLU 19 HB1 GLU 19 -3.277 11.254 14.465 160 1HG GLU 19 HG2 GLU 19 -5.453 11.386 15.598 161 2HG GLU 19 HG1 GLU 19 -5.478 13.132 15.374 162 H MET 20 HN MET 20 -2.218 10.036 16.082 163 HA MET 20 HA MET 20 -3.955 9.082 18.276 164 1HB MET 20 HB2 MET 20 -2.295 7.472 16.318 165 2HB MET 20 HB1 MET 20 -3.535 6.870 17.408 166 1HG MET 20 HG2 MET 20 -5.235 8.213 16.235 167 2HG MET 20 HG1 MET 20 -3.995 8.821 15.138 168 1HE MET 20 HE1 MET 20 -6.342 7.828 13.916 169 2HE MET 20 HE2 MET 20 -5.944 6.527 12.796 170 3HE MET 20 HE3 MET 20 -4.935 7.972 12.852 171 H ASN 21 HN ASN 21 -1.796 6.788 18.172 172 HA ASN 21 HA ASN 21 0.511 7.870 19.457 173 1HB ASN 21 HB2 ASN 21 -1.178 8.240 21.253 174 2HB ASN 21 HB1 ASN 21 -1.497 6.508 21.268 175 1HD2 ASN 21 HD21 ASN 21 -0.581 5.879 23.252 176 2HD2 ASN 21 HD22 ASN 21 1.038 6.160 23.678 177 H GLN 22 HN GLN 22 0.356 6.155 17.384 178 HA GLN 22 HA GLN 22 0.223 3.416 17.952 179 1HB GLN 22 HB2 GLN 22 0.348 4.461 15.662 180 2HB GLN 22 HB1 GLN 22 2.066 4.735 15.937 181 1HG GLN 22 HG2 GLN 22 1.833 2.679 14.687 182 2HG GLN 22 HG1 GLN 22 2.327 2.250 16.320 183 1HE2 GLN 22 HE21 GLN 22 1.273 0.228 16.586 184 2HE2 GLN 22 HE22 GLN 22 -0.404 0.017 16.427 185 H SER 23 HN SER 23 3.072 5.562 17.894 186 HA SER 23 HA SER 23 4.322 4.295 20.108 187 1HB SER 23 HB2 SER 23 6.241 3.271 18.851 188 2HB SER 23 HB1 SER 23 4.714 2.430 18.621 189 HG SER 23 HG SER 23 6.187 3.199 16.731 190 H GLU 24 HN GLU 24 3.754 6.907 18.645 191 HA GLU 24 HA GLU 24 6.435 8.105 19.053 192 1HB GLU 24 HB2 GLU 24 4.727 8.177 16.604 193 2HB GLU 24 HB1 GLU 24 5.490 9.695 17.070 194 1HG GLU 24 HG2 GLU 24 6.866 8.488 15.468 195 2HG GLU 24 HG1 GLU 24 7.695 8.616 17.024 196 H ASP 25 HN ASP 25 6.164 10.566 19.010 197 HA ASP 25 HA ASP 25 3.893 11.283 20.802 198 1HB ASP 25 HB2 ASP 25 6.614 12.577 20.594 199 2HB ASP 25 HB1 ASP 25 5.380 12.868 21.820 200 H LYS 26 HN LYS 26 5.441 14.022 20.248 201 HA LYS 26 HA LYS 26 3.751 14.792 17.926 202 1HB LYS 26 HB2 LYS 26 4.671 16.403 20.299 203 2HB LYS 26 HB1 LYS 26 3.789 17.038 18.913 204 1HG LYS 26 HG2 LYS 26 1.914 15.553 19.369 205 2HG LYS 26 HG1 LYS 26 2.796 14.821 20.714 206 1HD LYS 26 HD2 LYS 26 2.861 16.994 21.868 207 2HD LYS 26 HD1 LYS 26 1.993 17.737 20.527 208 1HE LYS 26 HE2 LYS 26 0.078 16.236 20.922 209 2HE LYS 26 HE1 LYS 26 0.945 15.483 22.260 210 1HZ LYS 26 HZ1 LYS 26 -0.219 18.172 22.079 211 2HZ LYS 26 HZ2 LYS 26 1.128 17.926 23.083 212 3HZ LYS 26 HZ3 LYS 26 -0.301 17.047 23.345 213 H ILE 27 HN ILE 27 6.267 16.712 19.429 214 HA ILE 27 HA ILE 27 7.471 17.312 16.911 215 HB ILE 27 HB ILE 27 8.716 17.737 19.643 216 1HG1 ILE 27 HG12 ILE 27 6.454 18.584 19.813 217 2HG1 ILE 27 HG11 ILE 27 7.524 19.964 19.591 218 1HG2 ILE 27 HG21 ILE 27 10.141 18.206 17.693 219 2HG2 ILE 27 HG22 ILE 27 9.714 19.702 18.523 220 3HG2 ILE 27 HG23 ILE 27 8.897 19.260 17.023 221 1HD1 ILE 27 HD11 ILE 27 5.666 18.691 17.590 222 2HD1 ILE 27 HD12 ILE 27 6.974 19.744 17.068 223 3HD1 ILE 27 HD13 ILE 27 5.708 20.366 18.124 224 H HIS 28 HN HIS 28 7.983 14.827 19.272 225 HA HIS 28 HA HIS 28 10.650 14.127 18.285 226 1HB HIS 28 HB2 HIS 28 8.891 12.519 20.148 227 2HB HIS 28 HB1 HIS 28 10.633 12.412 19.952 228 HD1 HIS 28 HD1 HIS 28 8.069 14.112 21.914 229 HD2 HIS 28 HD2 HIS 28 12.001 14.922 20.787 230 HE1 HIS 28 HE1 HIS 28 8.900 15.928 23.471 231 HE2 HIS 28 HE2 HIS 28 11.295 16.433 22.796 232 H ALA 29 HN ALA 29 7.471 13.595 17.291 233 HA ALA 29 HA ALA 29 7.715 10.914 16.293 234 1HB ALA 29 HB1 ALA 29 5.600 11.334 15.239 235 2HB ALA 29 HB2 ALA 29 5.793 13.079 15.408 236 3HB ALA 29 HB3 ALA 29 5.547 12.077 16.838 237 H MET 30 HN MET 30 7.744 14.144 14.776 238 HA MET 30 HA MET 30 8.328 13.211 12.178 239 1HB MET 30 HB2 MET 30 8.823 15.524 11.651 240 2HB MET 30 HB1 MET 30 7.420 15.469 12.714 241 1HG MET 30 HG2 MET 30 8.689 17.157 13.735 242 2HG MET 30 HG1 MET 30 9.212 15.742 14.633 243 1HE MET 30 HE1 MET 30 10.910 18.697 14.131 244 2HE MET 30 HE2 MET 30 12.394 17.823 14.501 245 3HE MET 30 HE3 MET 30 10.906 17.422 15.356 246 H ASN 31 HN ASN 31 10.388 14.279 14.855 247 HA ASN 31 HA ASN 31 12.824 14.326 13.490 248 1HB ASN 31 HB2 ASN 31 12.519 15.121 15.809 249 2HB ASN 31 HB1 ASN 31 12.322 13.453 16.342 250 1HD2 ASN 31 HD21 ASN 31 14.265 13.446 17.642 251 2HD2 ASN 31 HD22 ASN 31 15.810 13.510 16.943 252 H SER 32 HN SER 32 11.344 11.613 15.297 253 HA SER 32 HA SER 32 13.354 9.737 14.602 254 1HB SER 32 HB2 SER 32 11.801 9.384 16.477 255 2HB SER 32 HB1 SER 32 10.461 9.252 15.341 256 HG SER 32 HG SER 32 12.782 7.614 15.320 257 H TYR 33 HN TYR 33 10.089 10.273 13.265 258 HA TYR 33 HA TYR 33 10.242 8.329 11.237 259 1HB TYR 33 HB2 TYR 33 8.117 9.355 11.887 260 2HB TYR 33 HB1 TYR 33 8.673 10.932 11.324 261 HD1 TYR 33 HD2 TYR 33 7.636 7.533 10.279 262 HD2 TYR 33 HD1 TYR 33 8.787 11.451 8.958 263 HE1 TYR 33 HE2 TYR 33 6.858 6.986 7.985 264 HE2 TYR 33 HE1 TYR 33 8.011 10.900 6.660 265 HH TYR 33 HH TYR 33 6.409 7.822 5.942 266 H TYR 34 HN TYR 34 10.786 11.856 11.041 267 HA TYR 34 HA TYR 34 11.547 11.998 8.368 268 1HB TYR 34 HB2 TYR 34 11.151 13.981 9.836 269 2HB TYR 34 HB1 TYR 34 12.685 13.647 10.643 270 HD1 TYR 34 HD2 TYR 34 14.836 13.735 9.341 271 HD2 TYR 34 HD1 TYR 34 11.099 15.070 7.698 272 HE1 TYR 34 HE2 TYR 34 16.057 14.969 7.573 273 HE2 TYR 34 HE1 TYR 34 12.322 16.304 5.924 274 HH TYR 34 HH TYR 34 15.688 16.859 6.059 275 H ARG 35 HN ARG 35 13.598 11.523 11.253 276 HA ARG 35 HA ARG 35 16.034 11.352 9.902 277 1HB ARG 35 HB2 ARG 35 15.710 11.567 12.406 278 2HB ARG 35 HB1 ARG 35 15.370 9.840 12.427 279 1HG ARG 35 HG2 ARG 35 17.682 9.824 12.843 280 2HG ARG 35 HG1 ARG 35 17.694 9.695 11.088 281 1HD ARG 35 HD2 ARG 35 17.930 12.194 10.957 282 2HD ARG 35 HD1 ARG 35 18.029 12.240 12.713 283 HE ARG 35 HE ARG 35 20.092 11.355 10.865 284 1HH1 ARG 35 HH21 ARG 35 18.848 11.271 14.093 285 2HH1 ARG 35 HH22 ARG 35 20.374 10.890 14.817 286 1HH2 ARG 35 HH11 ARG 35 22.094 10.858 11.805 287 2HH2 ARG 35 HH12 ARG 35 22.213 10.656 13.522 288 H SER 36 HN SER 36 13.621 8.900 10.687 289 HA SER 36 HA SER 36 15.121 6.649 9.840 290 1HB SER 36 HB2 SER 36 12.121 7.006 9.910 291 2HB SER 36 HB1 SER 36 12.975 5.470 9.788 292 HG SER 36 HG SER 36 13.787 7.127 11.842 293 H VAL 37 HN VAL 37 12.866 8.786 8.150 294 HA VAL 37 HA VAL 37 12.907 7.272 5.698 295 HB VAL 37 HB VAL 37 12.112 10.139 6.309 296 1HG1 VAL 37 HG11 VAL 37 11.917 8.576 3.714 297 2HG1 VAL 37 HG12 VAL 37 12.698 10.134 3.971 298 3HG1 VAL 37 HG13 VAL 37 10.944 10.009 4.043 299 1HG2 VAL 37 HG21 VAL 37 9.814 9.171 5.894 300 2HG2 VAL 37 HG22 VAL 37 10.622 8.536 7.322 301 3HG2 VAL 37 HG23 VAL 37 10.555 7.575 5.848 302 H VAL 38 HN VAL 38 14.318 10.482 6.454 303 HA VAL 38 HA VAL 38 15.840 10.772 4.145 304 HB VAL 38 HB VAL 38 15.504 12.513 5.940 305 1HG1 VAL 38 HG11 VAL 38 16.804 12.493 7.934 306 2HG1 VAL 38 HG12 VAL 38 17.872 11.220 7.330 307 3HG1 VAL 38 HG13 VAL 38 16.214 10.847 7.758 308 1HG2 VAL 38 HG21 VAL 38 17.206 12.755 4.121 309 2HG2 VAL 38 HG22 VAL 38 18.402 12.018 5.184 310 3HG2 VAL 38 HG23 VAL 38 17.684 13.571 5.609 311 H SER 39 HN SER 39 16.720 9.140 7.189 312 HA SER 39 HA SER 39 19.374 8.512 6.461 313 1HB SER 39 HB2 SER 39 17.492 7.031 8.312 314 2HB SER 39 HB1 SER 39 19.224 6.743 8.193 315 HG SER 39 HG SER 39 19.626 8.636 9.116 316 H THR 40 HN THR 40 16.382 6.584 6.228 317 HA THR 40 HA THR 40 17.522 4.311 5.064 318 HB THR 40 HB THR 40 14.744 5.449 4.659 319 HG1 THR 40 HG1 THR 40 15.514 4.918 6.839 320 1HG2 THR 40 HG21 THR 40 15.974 2.739 4.070 321 2HG2 THR 40 HG22 THR 40 15.133 3.813 2.950 322 3HG2 THR 40 HG23 THR 40 14.233 2.986 4.221 323 H LEU 41 HN LEU 41 16.183 7.237 3.556 324 HA LEU 41 HA LEU 41 16.623 6.326 0.872 325 1HB LEU 41 HB2 LEU 41 16.197 9.093 2.010 326 2HB LEU 41 HB1 LEU 41 16.204 8.723 0.289 327 HG LEU 41 HG LEU 41 14.313 7.472 2.316 328 1HD1 LEU 41 HD11 LEU 41 13.748 9.620 0.249 329 2HD1 LEU 41 HD12 LEU 41 13.964 9.926 1.971 330 3HD1 LEU 41 HD13 LEU 41 12.606 8.953 1.414 331 1HD2 LEU 41 HD21 LEU 41 14.344 5.929 0.548 332 2HD2 LEU 41 HD22 LEU 41 14.673 7.155 -0.675 333 3HD2 LEU 41 HD23 LEU 41 13.057 7.000 0.013 334 H VAL 42 HN VAL 42 18.386 8.505 3.041 335 HA VAL 42 HA VAL 42 20.558 8.868 1.140 336 HB VAL 42 HB VAL 42 20.300 9.739 4.038 337 1HG1 VAL 42 HG11 VAL 42 22.073 11.505 2.850 338 2HG1 VAL 42 HG12 VAL 42 22.487 10.023 1.996 339 3HG1 VAL 42 HG13 VAL 42 22.585 10.085 3.752 340 1HG2 VAL 42 HG21 VAL 42 18.582 10.654 2.416 341 2HG2 VAL 42 HG22 VAL 42 19.908 11.336 1.481 342 3HG2 VAL 42 HG23 VAL 42 19.619 11.887 3.129 343 H GLN 43 HN GLN 43 19.880 6.146 2.187 344 HA GLN 43 HA GLN 43 22.581 5.293 2.682 345 1HB GLN 43 HB2 GLN 43 21.533 6.026 4.967 346 2HB GLN 43 HB1 GLN 43 20.613 4.526 4.844 347 1HG GLN 43 HG2 GLN 43 22.571 3.970 6.098 348 2HG GLN 43 HG1 GLN 43 22.889 3.357 4.480 349 1HE2 GLN 43 HE21 GLN 43 23.619 6.057 6.690 350 2HE2 GLN 43 HE22 GLN 43 25.031 6.547 5.889 351 H ASP 44 HN ASP 44 20.112 4.920 0.915 352 HA ASP 44 HA ASP 44 20.580 2.159 0.360 353 1HB ASP 44 HB2 ASP 44 19.014 2.111 2.400 354 2HB ASP 44 HB1 ASP 44 17.770 2.745 1.331 355 H GLN 45 HN GLN 45 20.296 4.955 -0.811 356 HA GLN 45 HA GLN 45 19.276 4.165 -3.345 357 1HB GLN 45 HB2 GLN 45 17.124 4.502 -2.007 358 2HB GLN 45 HB1 GLN 45 17.547 6.208 -1.913 359 1HG GLN 45 HG2 GLN 45 17.581 6.343 -4.374 360 2HG GLN 45 HG1 GLN 45 17.203 4.627 -4.478 361 1HE2 GLN 45 HE21 GLN 45 15.533 6.769 -5.548 362 2HE2 GLN 45 HE22 GLN 45 14.055 6.705 -4.715 363 H LEU 46 HN LEU 46 21.636 5.096 -3.107 364 HA LEU 46 HA LEU 46 21.655 8.041 -3.426 365 1HB LEU 46 HB2 LEU 46 23.837 6.002 -2.956 366 2HB LEU 46 HB1 LEU 46 24.170 7.699 -3.294 367 HG LEU 46 HG LEU 46 22.284 6.917 -1.047 368 1HD1 LEU 46 HD11 LEU 46 24.254 7.099 0.499 369 2HD1 LEU 46 HD12 LEU 46 25.310 7.128 -0.915 370 3HD1 LEU 46 HD13 LEU 46 24.334 5.700 -0.571 371 1HD2 LEU 46 HD21 LEU 46 22.272 9.293 -1.582 372 2HD2 LEU 46 HD22 LEU 46 24.030 9.351 -1.600 373 3HD2 LEU 46 HD23 LEU 46 23.171 9.088 -0.088 374 H THR 47 HN THR 47 20.434 6.869 -5.520 375 HA THR 47 HA THR 47 22.217 6.136 -7.628 376 HB THR 47 HB THR 47 19.919 5.359 -7.653 377 HG1 THR 47 HG1 THR 47 20.158 5.470 -9.712 378 1HG2 THR 47 HG21 THR 47 18.951 7.342 -6.481 379 2HG2 THR 47 HG22 THR 47 18.055 6.883 -7.927 380 3HG2 THR 47 HG23 THR 47 19.143 8.267 -7.969 381 H LYS 48 HN LYS 48 20.743 9.109 -6.529 382 HA LYS 48 HA LYS 48 22.651 10.697 -7.980 383 1HB LYS 48 HB2 LYS 48 20.865 10.086 -9.710 384 2HB LYS 48 HB1 LYS 48 19.748 11.038 -8.746 385 1HG LYS 48 HG2 LYS 48 20.486 12.672 -10.249 386 2HG LYS 48 HG1 LYS 48 21.630 12.921 -8.935 387 1HD LYS 48 HD2 LYS 48 23.225 11.363 -10.132 388 2HD LYS 48 HD1 LYS 48 22.084 11.321 -11.473 389 1HE LYS 48 HE2 LYS 48 22.285 13.741 -11.755 390 2HE LYS 48 HE1 LYS 48 23.367 13.829 -10.362 391 1HZ LYS 48 HZ1 LYS 48 24.255 13.585 -12.832 392 2HZ LYS 48 HZ2 LYS 48 24.068 11.938 -12.459 393 3HZ LYS 48 HZ3 LYS 48 25.071 12.919 -11.502 394 H ASN 49 HN ASN 49 23.007 12.542 -6.897 395 HA ASN 49 HA ASN 49 21.946 13.124 -4.421 396 1HB ASN 49 HB2 ASN 49 22.781 15.416 -4.730 397 2HB ASN 49 HB1 ASN 49 23.956 14.217 -5.268 398 1HD2 ASN 49 HD21 ASN 49 24.775 14.535 -7.337 399 2HD2 ASN 49 HD22 ASN 49 24.044 15.489 -8.533 400 H ALA 50 HN ALA 50 20.744 14.122 -7.605 401 HA ALA 50 HA ALA 50 18.783 15.940 -6.633 402 1HB ALA 50 HB1 ALA 50 18.739 14.390 -9.214 403 2HB ALA 50 HB2 ALA 50 19.601 15.910 -8.974 404 3HB ALA 50 HB3 ALA 50 17.841 15.863 -8.851 405 H VAL 51 HN VAL 51 18.509 12.602 -7.853 406 HA VAL 51 HA VAL 51 15.804 12.144 -7.474 407 HB VAL 51 HB VAL 51 18.166 10.289 -7.126 408 1HG1 VAL 51 HG11 VAL 51 16.366 8.430 -7.379 409 2HG1 VAL 51 HG12 VAL 51 15.210 9.656 -6.871 410 3HG1 VAL 51 HG13 VAL 51 16.527 9.186 -5.797 411 1HG2 VAL 51 HG21 VAL 51 16.041 10.289 -9.296 412 2HG2 VAL 51 HG22 VAL 51 17.633 9.531 -9.328 413 3HG2 VAL 51 HG23 VAL 51 17.490 11.286 -9.410 414 H VAL 52 HN VAL 52 18.382 11.844 -5.040 415 HA VAL 52 HA VAL 52 16.530 11.081 -2.956 416 HB VAL 52 HB VAL 52 18.471 11.350 -1.433 417 1HG1 VAL 52 HG11 VAL 52 19.842 9.593 -2.445 418 2HG1 VAL 52 HG12 VAL 52 19.146 9.933 -4.031 419 3HG1 VAL 52 HG13 VAL 52 18.136 9.266 -2.747 420 1HG2 VAL 52 HG21 VAL 52 19.801 12.322 -3.946 421 2HG2 VAL 52 HG22 VAL 52 20.686 11.884 -2.503 422 3HG2 VAL 52 HG23 VAL 52 19.582 13.258 -2.482 423 H LEU 53 HN LEU 53 18.141 14.067 -3.929 424 HA LEU 53 HA LEU 53 17.369 15.645 -1.744 425 1HB LEU 53 HB2 LEU 53 18.129 16.207 -4.547 426 2HB LEU 53 HB1 LEU 53 17.472 17.544 -3.637 427 HG LEU 53 HG LEU 53 19.805 15.869 -2.620 428 1HD1 LEU 53 HD11 LEU 53 20.475 16.845 -4.762 429 2HD1 LEU 53 HD12 LEU 53 21.252 17.723 -3.447 430 3HD1 LEU 53 HD13 LEU 53 19.854 18.416 -4.265 431 1HD2 LEU 53 HD21 LEU 53 20.226 18.106 -1.383 432 2HD2 LEU 53 HD22 LEU 53 18.841 17.176 -0.838 433 3HD2 LEU 53 HD23 LEU 53 18.604 18.575 -1.884 434 H LYS 54 HN LYS 54 15.662 14.921 -4.755 435 HA LYS 54 HA LYS 54 13.547 16.704 -4.528 436 1HB LYS 54 HB2 LYS 54 13.690 13.861 -5.556 437 2HB LYS 54 HB1 LYS 54 12.231 14.839 -5.718 438 1HG LYS 54 HG2 LYS 54 13.387 16.496 -7.027 439 2HG LYS 54 HG1 LYS 54 14.946 15.737 -6.727 440 1HD LYS 54 HD2 LYS 54 14.144 13.698 -7.889 441 2HD LYS 54 HD1 LYS 54 12.637 14.529 -8.266 442 1HE LYS 54 HE2 LYS 54 15.398 15.464 -9.102 443 2HE LYS 54 HE1 LYS 54 14.240 14.653 -10.157 444 1HZ LYS 54 HZ1 LYS 54 12.664 16.518 -9.447 445 2HZ LYS 54 HZ2 LYS 54 13.887 16.892 -10.566 446 3HZ LYS 54 HZ3 LYS 54 14.060 17.332 -8.933 447 H ARG 55 HN ARG 55 13.795 13.409 -3.180 448 HA ARG 55 HA ARG 55 11.318 13.433 -1.848 449 1HB ARG 55 HB2 ARG 55 13.881 11.932 -1.243 450 2HB ARG 55 HB1 ARG 55 12.330 11.576 -0.486 451 1HG ARG 55 HG2 ARG 55 12.556 11.591 -3.513 452 2HG ARG 55 HG1 ARG 55 13.089 10.183 -2.603 453 1HD ARG 55 HD2 ARG 55 10.314 11.387 -2.361 454 2HD ARG 55 HD1 ARG 55 10.724 10.021 -3.388 455 HE ARG 55 HE ARG 55 11.617 9.473 -0.774 456 1HH1 ARG 55 HH21 ARG 55 8.709 9.928 -2.594 457 2HH1 ARG 55 HH22 ARG 55 7.763 8.862 -1.610 458 1HH2 ARG 55 HH11 ARG 55 10.385 8.071 0.518 459 2HH2 ARG 55 HH12 ARG 55 8.711 7.811 0.153 460 H ILE 56 HN ILE 56 14.589 14.331 -0.771 461 HA ILE 56 HA ILE 56 13.884 14.845 1.929 462 HB ILE 56 HB ILE 56 16.102 16.030 0.217 463 1HG1 ILE 56 HG12 ILE 56 16.149 13.797 2.271 464 2HG1 ILE 56 HG11 ILE 56 16.062 13.532 0.539 465 1HG2 ILE 56 HG21 ILE 56 15.791 17.489 2.128 466 2HG2 ILE 56 HG22 ILE 56 17.182 16.479 2.479 467 3HG2 ILE 56 HG23 ILE 56 15.627 16.116 3.220 468 1HD1 ILE 56 HD11 ILE 56 18.370 13.351 1.200 469 2HD1 ILE 56 HD12 ILE 56 18.288 14.896 2.043 470 3HD1 ILE 56 HD13 ILE 56 18.174 14.844 0.292 471 H GLN 57 HN GLN 57 14.383 17.132 -0.769 472 HA GLN 57 HA GLN 57 13.642 19.472 0.496 473 1HB GLN 57 HB2 GLN 57 13.173 18.596 -2.367 474 2HB GLN 57 HB1 GLN 57 12.943 20.251 -1.797 475 1HG GLN 57 HG2 GLN 57 15.284 20.358 -1.093 476 2HG GLN 57 HG1 GLN 57 15.529 18.688 -1.594 477 1HE2 GLN 57 HE21 GLN 57 17.242 20.168 -2.916 478 2HE2 GLN 57 HE22 GLN 57 16.721 20.596 -4.473 479 H HIS 58 HN HIS 58 11.583 17.023 -1.030 480 HA HIS 58 HA HIS 58 9.138 18.459 -0.571 481 1HB HIS 58 HB2 HIS 58 8.701 16.927 -2.257 482 2HB HIS 58 HB1 HIS 58 9.934 15.821 -1.687 483 HD1 HIS 58 HD1 HIS 58 9.099 13.731 -0.625 484 HD2 HIS 58 HD2 HIS 58 6.288 16.796 -0.417 485 HE1 HIS 58 HE1 HIS 58 7.043 12.742 0.475 486 HE2 HIS 58 HE2 HIS 58 5.328 14.598 0.618 487 H LEU 59 HN LEU 59 10.858 15.821 1.072 488 HA LEU 59 HA LEU 59 8.896 15.208 2.955 489 1HB LEU 59 HB2 LEU 59 10.958 13.894 2.570 490 2HB LEU 59 HB1 LEU 59 11.884 15.153 3.373 491 HG LEU 59 HG LEU 59 10.488 14.791 5.433 492 1HD1 LEU 59 HD11 LEU 59 9.208 12.706 3.663 493 2HD1 LEU 59 HD12 LEU 59 8.456 13.825 4.795 494 3HD1 LEU 59 HD13 LEU 59 9.316 12.422 5.397 495 1HD2 LEU 59 HD21 LEU 59 11.640 12.804 6.127 496 2HD2 LEU 59 HD22 LEU 59 12.711 13.662 5.021 497 3HD2 LEU 59 HD23 LEU 59 11.806 12.259 4.463 498 H ASP 60 HN ASP 60 11.145 17.861 2.808 499 HA ASP 60 HA ASP 60 11.175 18.710 5.454 500 1HB ASP 60 HB2 ASP 60 12.484 19.756 3.614 501 2HB ASP 60 HB1 ASP 60 10.998 20.475 3.000 502 H GLU 61 HN GLU 61 8.834 19.643 2.907 503 HA GLU 61 HA GLU 61 7.177 21.271 4.423 504 1HB GLU 61 HB2 GLU 61 5.650 21.133 2.651 505 2HB GLU 61 HB1 GLU 61 7.110 20.552 1.853 506 1HG GLU 61 HG2 GLU 61 6.319 18.171 2.519 507 2HG GLU 61 HG1 GLU 61 4.783 18.917 2.919 508 H ALA 62 HN ALA 62 7.449 17.791 4.429 509 HA ALA 62 HA ALA 62 4.986 17.234 5.708 510 1HB ALA 62 HB1 ALA 62 6.714 15.657 4.507 511 2HB ALA 62 HB2 ALA 62 5.770 15.025 5.850 512 3HB ALA 62 HB3 ALA 62 7.439 15.526 6.107 513 H TYR 63 HN TYR 63 8.278 17.180 7.101 514 HA TYR 63 HA TYR 63 7.548 16.980 9.762 515 1HB TYR 63 HB2 TYR 63 9.840 16.933 9.916 516 2HB TYR 63 HB1 TYR 63 9.969 17.533 8.264 517 HD1 TYR 63 HD2 TYR 63 9.680 18.544 11.832 518 HD2 TYR 63 HD1 TYR 63 10.513 19.852 7.830 519 HE1 TYR 63 HE2 TYR 63 10.454 20.726 12.712 520 HE2 TYR 63 HE1 TYR 63 11.280 22.041 8.704 521 HH TYR 63 HH TYR 63 10.896 23.432 10.741 522 H ASN 64 HN ASN 64 7.933 19.885 7.755 523 HA ASN 64 HA ASN 64 7.539 21.803 9.769 524 1HB ASN 64 HB2 ASN 64 8.440 22.331 7.531 525 2HB ASN 64 HB1 ASN 64 6.856 21.995 6.830 526 1HD2 ASN 64 HD21 ASN 64 6.454 24.198 6.143 527 2HD2 ASN 64 HD22 ASN 64 6.215 25.456 7.256 528 H LYS 65 HN LYS 65 5.349 19.750 8.044 529 HA LYS 65 HA LYS 65 2.984 21.284 8.609 530 1HB LYS 65 HB2 LYS 65 3.321 19.520 6.732 531 2HB LYS 65 HB1 LYS 65 3.029 18.320 7.985 532 1HG LYS 65 HG2 LYS 65 0.829 18.651 7.246 533 2HG LYS 65 HG1 LYS 65 0.885 19.865 8.513 534 1HD LYS 65 HD2 LYS 65 1.485 21.576 6.804 535 2HD LYS 65 HD1 LYS 65 1.370 20.339 5.553 536 1HE LYS 65 HE2 LYS 65 -0.989 19.946 6.162 537 2HE LYS 65 HE1 LYS 65 -0.872 21.199 7.400 538 1HZ LYS 65 HZ1 LYS 65 0.036 22.532 5.315 539 2HZ LYS 65 HZ2 LYS 65 -1.615 22.471 5.713 540 3HZ LYS 65 HZ3 LYS 65 -0.991 21.454 4.504 541 H VAL 66 HN VAL 66 4.762 18.710 10.188 542 HA VAL 66 HA VAL 66 2.732 17.956 12.029 543 HB VAL 66 HB VAL 66 5.741 17.753 12.460 544 1HG1 VAL 66 HG11 VAL 66 4.263 17.226 14.399 545 2HG1 VAL 66 HG12 VAL 66 5.129 15.807 13.805 546 3HG1 VAL 66 HG13 VAL 66 3.432 16.042 13.395 547 1HG2 VAL 66 HG21 VAL 66 3.834 15.949 10.941 548 2HG2 VAL 66 HG22 VAL 66 5.481 15.518 11.387 549 3HG2 VAL 66 HG23 VAL 66 5.194 16.841 10.265 550 H LYS 67 HN LYS 67 5.582 20.057 12.367 551 HA LYS 67 HA LYS 67 5.017 20.888 15.007 552 1HB LYS 67 HB2 LYS 67 6.523 22.347 12.833 553 2HB LYS 67 HB1 LYS 67 6.626 22.653 14.566 554 1HG LYS 67 HG2 LYS 67 7.094 19.855 14.359 555 2HG LYS 67 HG1 LYS 67 7.952 20.538 12.987 556 1HD LYS 67 HD2 LYS 67 8.273 21.340 15.887 557 2HD LYS 67 HD1 LYS 67 9.407 20.374 14.943 558 1HE LYS 67 HE2 LYS 67 10.445 22.409 14.548 559 2HE LYS 67 HE1 LYS 67 9.154 22.683 13.378 560 1HZ LYS 67 HZ1 LYS 67 9.594 24.378 15.273 561 2HZ LYS 67 HZ2 LYS 67 8.684 23.298 16.217 562 3HZ LYS 67 HZ3 LYS 67 8.000 24.006 14.831 563 H ARG 68 HN ARG 68 4.391 22.415 11.873 564 HA ARG 68 HA ARG 68 3.240 24.783 12.776 565 1HB ARG 68 HB2 ARG 68 3.909 24.310 10.428 566 2HB ARG 68 HB1 ARG 68 2.517 23.238 10.271 567 1HG ARG 68 HG2 ARG 68 0.995 25.081 10.697 568 2HG ARG 68 HG1 ARG 68 2.342 26.163 11.034 569 1HD ARG 68 HD2 ARG 68 1.635 26.613 8.779 570 2HD ARG 68 HD1 ARG 68 3.161 25.742 8.686 571 HE ARG 68 HE ARG 68 2.040 23.917 7.752 572 1HH1 ARG 68 HH21 ARG 68 -0.176 26.263 9.001 573 2HH1 ARG 68 HH22 ARG 68 -1.569 25.535 8.272 574 1HH2 ARG 68 HH11 ARG 68 0.220 22.956 6.798 575 2HH2 ARG 68 HH12 ARG 68 -1.345 23.664 7.025 576 H GLY 69 HN GLY 69 2.004 21.554 12.670 577 1HA GLY 69 HA2 GLY 69 -0.778 22.315 12.988 578 2HA GLY 69 HA1 GLY 69 -0.106 20.688 13.012 579 H GLU 70 HN GLU 70 1.969 21.879 14.985 580 HA GLU 70 HA GLU 70 0.407 21.264 17.400 581 1HB GLU 70 HB2 GLU 70 3.374 21.573 16.881 582 2HB GLU 70 HB1 GLU 70 2.682 21.236 18.470 583 1HG GLU 70 HG2 GLU 70 2.133 19.518 16.043 584 2HG GLU 70 HG1 GLU 70 3.441 19.192 17.153 585 H SER 71 HN SER 71 1.228 22.552 19.385 586 HA SER 71 HA SER 71 0.915 24.539 20.500 587 1HB SER 71 HB2 SER 71 2.851 25.324 18.321 588 2HB SER 71 HB1 SER 71 2.451 26.365 19.686 589 HG SER 71 HG SER 71 3.795 25.232 20.814 590 H LYS 72 HN LYS 72 0.702 27.130 19.846 591 HA LYS 72 HA LYS 72 -1.273 27.389 17.655 592 1HB LYS 72 HB2 LYS 72 -1.771 28.067 20.563 593 2HB LYS 72 HB1 LYS 72 -2.752 28.700 19.243 594 1HG LYS 72 HG2 LYS 72 -3.285 26.377 18.537 595 2HG LYS 72 HG1 LYS 72 -2.316 25.764 19.872 596 1HD LYS 72 HD2 LYS 72 -4.485 25.684 20.779 597 2HD LYS 72 HD1 LYS 72 -3.892 27.222 21.397 598 1HE LYS 72 HE2 LYS 72 -6.182 27.433 20.501 599 2HE LYS 72 HE1 LYS 72 -5.065 28.401 19.548 600 1HZ LYS 72 HZ1 LYS 72 -5.478 25.642 18.708 601 2HZ LYS 72 HZ2 LYS 72 -5.251 27.041 17.770 602 3HZ LYS 72 HZ3 LYS 72 -6.769 26.713 18.461 603 H LEU 73 HN LEU 73 -0.075 29.347 20.380 604 HA LEU 73 HA LEU 73 -0.060 31.774 19.046 605 1HB LEU 73 HB2 LEU 73 1.495 30.667 21.362 606 2HB LEU 73 HB1 LEU 73 1.881 32.283 20.779 607 HG LEU 73 HG LEU 73 0.253 32.283 22.641 608 1HD1 LEU 73 HD11 LEU 73 0.187 33.918 20.463 609 2HD1 LEU 73 HD12 LEU 73 -0.910 34.087 21.825 610 3HD1 LEU 73 HD13 LEU 73 -1.443 33.249 20.373 611 1HD2 LEU 73 HD21 LEU 73 -1.943 31.337 22.431 612 2HD2 LEU 73 HD22 LEU 73 -0.809 30.080 21.945 613 3HD2 LEU 73 HD23 LEU 73 -1.696 30.988 20.720 614 H GLU 74 HN GLU 74 2.753 29.664 19.573 615 HA GLU 74 HA GLU 74 4.703 29.409 18.401 616 1HB GLU 74 HB2 GLU 74 2.916 30.292 16.120 617 2HB GLU 74 HB1 GLU 74 4.542 29.657 15.916 618 1HG GLU 74 HG2 GLU 74 3.888 27.551 16.965 619 2HG GLU 74 HG1 GLU 74 2.277 28.188 17.293 620 H HIS 75 HN HIS 75 4.629 31.683 19.861 621 HA HIS 75 HA HIS 75 6.315 33.496 18.285 622 1HB HIS 75 HB2 HIS 75 3.827 34.407 19.761 623 2HB HIS 75 HB1 HIS 75 5.076 35.487 19.143 624 HD1 HIS 75 HD1 HIS 75 5.642 34.747 16.411 625 HD2 HIS 75 HD2 HIS 75 1.786 34.247 17.915 626 HE1 HIS 75 HE1 HIS 75 4.100 34.632 14.405 627 HE2 HIS 75 HE2 HIS 75 1.745 34.328 15.306 628 H HIS 76 HN HIS 76 7.428 35.062 19.652 629 HA HIS 76 HA HIS 76 7.716 34.209 22.491 630 1HB HIS 76 HB2 HIS 76 9.524 33.223 21.054 631 2HB HIS 76 HB1 HIS 76 10.021 34.862 20.635 632 HD1 HIS 76 HD1 HIS 76 11.955 35.567 22.047 633 HD2 HIS 76 HD2 HIS 76 9.298 33.167 24.183 634 HE1 HIS 76 HE1 HIS 76 12.875 35.397 24.400 635 HE2 HIS 76 HE2 HIS 76 11.267 33.938 25.715 636 H HIS 77 HN HIS 77 6.170 36.353 21.729 637 HA HIS 77 HA HIS 77 7.705 38.809 21.831 638 1HB HIS 77 HB2 HIS 77 4.732 38.309 22.133 639 2HB HIS 77 HB1 HIS 77 5.492 39.890 21.959 640 HD1 HIS 77 HD1 HIS 77 7.427 39.563 19.728 641 HD2 HIS 77 HD2 HIS 77 3.699 37.698 19.647 642 HE1 HIS 77 HE1 HIS 77 6.926 39.069 17.296 643 HE2 HIS 77 HE2 HIS 77 4.656 37.932 17.229 644 H HIS 78 HN HIS 78 8.631 37.477 23.919 645 HA HIS 78 HA HIS 78 7.229 37.671 26.353 646 1HB HIS 78 HB2 HIS 78 9.286 36.325 26.035 647 2HB HIS 78 HB1 HIS 78 10.222 37.814 25.905 648 HD1 HIS 78 HD1 HIS 78 7.788 36.219 28.381 649 HD2 HIS 78 HD2 HIS 78 11.149 38.687 28.357 650 HE1 HIS 78 HE1 HIS 78 8.370 36.661 30.807 651 HE2 HIS 78 HE2 HIS 78 10.417 38.164 30.808 652 H HIS 79 HN HIS 79 9.515 39.897 24.791 653 HA HIS 79 HA HIS 79 8.426 42.117 26.440 654 1HB HIS 79 HB2 HIS 79 10.602 41.369 27.389 655 2HB HIS 79 HB1 HIS 79 11.361 41.678 25.828 656 HD1 HIS 79 HD1 HIS 79 9.353 43.552 28.476 657 HD2 HIS 79 HD2 HIS 79 12.161 44.313 25.490 658 HE1 HIS 79 HE1 HIS 79 9.947 46.006 28.660 659 HE2 HIS 79 HE2 HIS 79 11.659 46.487 26.846 660 H HIS 80 HN HIS 80 10.427 41.253 23.614 661 HA HIS 80 HA HIS 80 10.110 43.818 22.366 662 1HB HIS 80 HB2 HIS 80 12.031 42.297 21.916 663 2HB HIS 80 HB1 HIS 80 10.924 41.180 21.118 664 HD1 HIS 80 HD1 HIS 80 11.884 44.867 20.861 665 HD2 HIS 80 HD2 HIS 80 10.642 41.723 18.422 666 HE1 HIS 80 HE1 HIS 80 11.903 45.751 18.489 667 HE2 HIS 80 HE2 HIS 80 11.148 43.846 16.989 668 1H MET 1 HT1 MET 1 41.107 32.230 15.592 669 2H MET 1 HT2 MET 1 41.175 30.887 16.630 670 3H MET 1 HT3 MET 1 41.554 32.437 17.216 671 HA MET 1 HA MET 1 39.449 32.380 17.975 672 1HB MET 1 HB2 MET 1 39.107 33.016 15.028 673 2HB MET 1 HB1 MET 1 37.872 33.312 16.252 674 1HG MET 1 HG2 MET 1 39.459 34.764 17.485 675 2HG MET 1 HG1 MET 1 40.664 34.496 16.224 676 1HE MET 1 HE1 MET 1 39.824 38.095 15.379 677 2HE MET 1 HE2 MET 1 41.062 36.863 15.612 678 3HE MET 1 HE3 MET 1 40.042 37.343 16.967 679 H SER 2 HN SER 2 39.379 30.746 14.797 680 HA SER 2 HA SER 2 38.146 28.379 15.965 681 1HB SER 2 HB2 SER 2 36.173 28.456 14.484 682 2HB SER 2 HB1 SER 2 36.189 29.814 15.607 683 HG SER 2 HG SER 2 35.941 29.998 13.072 684 H GLU 3 HN GLU 3 38.889 26.640 14.947 685 HA GLU 3 HA GLU 3 40.348 26.980 12.402 686 1HB GLU 3 HB2 GLU 3 41.336 25.761 14.427 687 2HB GLU 3 HB1 GLU 3 40.177 24.474 14.109 688 1HG GLU 3 HG2 GLU 3 42.199 23.843 12.978 689 2HG GLU 3 HG1 GLU 3 41.094 24.393 11.722 690 H LEU 4 HN LEU 4 38.345 27.293 11.202 691 HA LEU 4 HA LEU 4 36.396 25.220 10.964 692 1HB LEU 4 HB2 LEU 4 37.078 27.397 8.976 693 2HB LEU 4 HB1 LEU 4 35.557 26.514 9.101 694 HG LEU 4 HG LEU 4 36.715 28.370 11.204 695 1HD1 LEU 4 HD11 LEU 4 34.349 28.673 9.332 696 2HD1 LEU 4 HD12 LEU 4 35.878 29.546 9.222 697 3HD1 LEU 4 HD13 LEU 4 34.805 29.819 10.594 698 1HD2 LEU 4 HD21 LEU 4 34.240 26.612 11.161 699 2HD2 LEU 4 HD22 LEU 4 34.291 28.077 12.144 700 3HD2 LEU 4 HD23 LEU 4 35.450 26.788 12.433 701 H PHE 5 HN PHE 5 39.534 25.732 9.634 702 HA PHE 5 HA PHE 5 39.347 24.311 7.223 703 1HB PHE 5 HB2 PHE 5 41.682 24.537 9.144 704 2HB PHE 5 HB1 PHE 5 41.788 23.964 7.480 705 HD1 PHE 5 HD2 PHE 5 41.333 25.492 5.578 706 HD2 PHE 5 HD1 PHE 5 41.382 26.895 9.639 707 HE1 PHE 5 HE2 PHE 5 41.472 27.833 4.769 708 HE2 PHE 5 HE1 PHE 5 41.522 29.234 8.829 709 HZ PHE 5 HZ PHE 5 41.568 29.704 6.394 710 H SER 6 HN SER 6 40.005 23.221 10.529 711 HA SER 6 HA SER 6 40.199 20.431 9.687 712 1HB SER 6 HB2 SER 6 41.141 20.067 11.776 713 2HB SER 6 HB1 SER 6 41.390 21.802 11.706 714 HG SER 6 HG SER 6 40.356 21.504 13.587 715 H VAL 7 HN VAL 7 38.544 19.066 9.599 716 HA VAL 7 HA VAL 7 35.889 19.860 10.076 717 HB VAL 7 HB VAL 7 36.582 16.921 10.168 718 1HG1 VAL 7 HG11 VAL 7 34.653 16.686 8.750 719 2HG1 VAL 7 HG12 VAL 7 34.544 18.430 8.520 720 3HG1 VAL 7 HG13 VAL 7 34.225 17.728 10.106 721 1HG2 VAL 7 HG21 VAL 7 36.832 16.978 7.635 722 2HG2 VAL 7 HG22 VAL 7 38.204 17.613 8.537 723 3HG2 VAL 7 HG23 VAL 7 37.061 18.721 7.777 724 HA PRO 8 HA PRO 8 36.504 17.123 14.166 725 1HB PRO 8 HB2 PRO 8 39.110 18.527 14.810 726 2HB PRO 8 HB1 PRO 8 38.557 16.911 15.313 727 1HG PRO 8 HG2 PRO 8 40.311 17.145 13.350 728 2HG PRO 8 HG1 PRO 8 38.978 15.980 13.204 729 1HD PRO 8 HD2 PRO 8 39.299 18.643 11.894 730 2HD PRO 8 HD1 PRO 8 38.578 17.174 11.237 731 H TYR 9 HN TYR 9 37.588 20.444 13.589 732 HA TYR 9 HA TYR 9 36.930 21.611 16.036 733 1HB TYR 9 HB2 TYR 9 38.151 22.849 14.325 734 2HB TYR 9 HB1 TYR 9 36.759 22.787 13.245 735 HD1 TYR 9 HD1 TYR 9 37.997 24.124 16.493 736 HD2 TYR 9 HD2 TYR 9 34.931 24.353 13.488 737 HE1 TYR 9 HE1 TYR 9 37.111 26.182 17.554 738 HE2 TYR 9 HE2 TYR 9 34.047 26.411 14.551 739 HH TYR 9 HH TYR 9 35.603 28.303 16.483 740 H PHE 10 HN PHE 10 34.893 20.963 13.204 741 HA PHE 10 HA PHE 10 32.576 22.252 14.175 742 1HB PHE 10 HB2 PHE 10 33.315 20.670 11.870 743 2HB PHE 10 HB1 PHE 10 31.823 19.979 12.498 744 HD1 PHE 10 HD2 PHE 10 33.396 23.312 11.745 745 HD2 PHE 10 HD1 PHE 10 29.782 20.988 11.816 746 HE1 PHE 10 HE2 PHE 10 32.159 25.202 10.723 747 HE2 PHE 10 HE1 PHE 10 28.551 22.879 10.793 748 HZ PHE 10 HZ PHE 10 29.731 24.981 10.249 749 H ILE 11 HN ILE 11 33.691 18.894 14.448 750 HA ILE 11 HA ILE 11 31.420 17.867 15.735 751 HB ILE 11 HB ILE 11 34.283 16.984 16.177 752 1HG1 ILE 11 HG12 ILE 11 32.322 16.278 13.965 753 2HG1 ILE 11 HG11 ILE 11 33.802 17.197 13.766 754 1HG2 ILE 11 HG21 ILE 11 32.494 16.001 17.657 755 2HG2 ILE 11 HG22 ILE 11 33.252 14.818 16.612 756 3HG2 ILE 11 HG23 ILE 11 31.661 15.446 16.208 757 1HD1 ILE 11 HD11 ILE 11 34.320 14.972 13.107 758 2HD1 ILE 11 HD12 ILE 11 33.535 14.295 14.534 759 3HD1 ILE 11 HD13 ILE 11 35.048 15.189 14.697 760 H GLU 12 HN GLU 12 34.437 19.197 17.085 761 HA GLU 12 HA GLU 12 34.060 18.826 19.786 762 1HB GLU 12 HB2 GLU 12 35.129 21.262 18.333 763 2HB GLU 12 HB1 GLU 12 35.240 21.070 20.082 764 1HG GLU 12 HG2 GLU 12 36.555 19.039 19.822 765 2HG GLU 12 HG1 GLU 12 36.358 19.090 18.075 766 H ASN 13 HN ASN 13 32.382 21.141 17.704 767 HA ASN 13 HA ASN 13 31.178 22.744 19.674 768 1HB ASN 13 HB2 ASN 13 29.968 21.907 17.031 769 2HB ASN 13 HB1 ASN 13 29.533 23.318 17.982 770 1HD2 ASN 13 HD21 ASN 13 32.424 23.826 18.703 771 2HD2 ASN 13 HD22 ASN 13 33.118 24.479 17.299 772 H LEU 14 HN LEU 14 30.309 19.565 18.400 773 HA LEU 14 HA LEU 14 27.759 19.426 19.720 774 1HB LEU 14 HB2 LEU 14 29.521 17.313 18.445 775 2HB LEU 14 HB1 LEU 14 27.973 16.936 19.195 776 HG LEU 14 HG LEU 14 26.850 18.539 17.680 777 1HD1 LEU 14 HD11 LEU 14 28.384 19.158 15.600 778 2HD1 LEU 14 HD12 LEU 14 29.677 19.029 16.777 779 3HD1 LEU 14 HD13 LEU 14 28.360 20.165 17.040 780 1HD2 LEU 14 HD21 LEU 14 26.865 16.240 16.979 781 2HD2 LEU 14 HD22 LEU 14 28.526 16.359 16.392 782 3HD2 LEU 14 HD23 LEU 14 27.225 17.207 15.553 783 H LYS 15 HN LYS 15 31.044 18.381 20.479 784 HA LYS 15 HA LYS 15 30.442 16.824 22.733 785 1HB LYS 15 HB2 LYS 15 32.606 16.838 21.542 786 2HB LYS 15 HB1 LYS 15 32.953 18.423 22.226 787 1HG LYS 15 HG2 LYS 15 32.751 17.487 24.507 788 2HG LYS 15 HG1 LYS 15 32.417 15.897 23.828 789 1HD LYS 15 HD2 LYS 15 34.959 17.472 23.300 790 2HD LYS 15 HD1 LYS 15 34.809 16.252 24.559 791 1HE LYS 15 HE2 LYS 15 34.088 14.629 22.693 792 2HE LYS 15 HE1 LYS 15 34.679 15.848 21.563 793 1HZ LYS 15 HZ1 LYS 15 36.799 15.816 22.850 794 2HZ LYS 15 HZ2 LYS 15 36.461 14.398 21.976 795 3HZ LYS 15 HZ3 LYS 15 36.220 14.442 23.657 796 H GLN 16 HN GLN 16 30.907 20.273 22.276 797 HA GLN 16 HA GLN 16 31.131 21.015 25.003 798 1HB GLN 16 HB2 GLN 16 31.778 22.521 23.182 799 2HB GLN 16 HB1 GLN 16 30.101 22.611 22.649 800 1HG GLN 16 HG2 GLN 16 29.430 23.697 24.706 801 2HG GLN 16 HG1 GLN 16 31.011 23.430 25.425 802 1HE2 GLN 16 HE21 GLN 16 29.944 26.046 25.233 803 2HE2 GLN 16 HE22 GLN 16 30.859 26.929 24.109 804 H HIS 17 HN HIS 17 28.419 20.248 22.969 805 HA HIS 17 HA HIS 17 26.422 21.444 24.651 806 1HB HIS 17 HB2 HIS 17 26.215 19.266 22.555 807 2HB HIS 17 HB1 HIS 17 24.839 20.063 23.307 808 HD1 HIS 17 HD1 HIS 17 26.393 22.915 23.326 809 HD2 HIS 17 HD2 HIS 17 25.629 20.498 20.016 810 HE1 HIS 17 HE1 HIS 17 26.442 24.436 21.302 811 HE2 HIS 17 HE2 HIS 17 25.979 22.978 19.276 812 H ILE 18 HN ILE 18 27.410 18.043 24.133 813 HA ILE 18 HA ILE 18 25.804 17.041 26.280 814 HB ILE 18 HB ILE 18 26.891 14.922 25.855 815 1HG1 ILE 18 HG12 ILE 18 28.933 16.614 24.413 816 2HG1 ILE 18 HG11 ILE 18 29.219 15.529 25.759 817 1HG2 ILE 18 HG21 ILE 18 25.302 15.984 24.116 818 2HG2 ILE 18 HG22 ILE 18 26.286 14.639 23.565 819 3HG2 ILE 18 HG23 ILE 18 26.737 16.294 23.150 820 1HD1 ILE 18 HD11 ILE 18 30.002 14.327 23.888 821 2HD1 ILE 18 HD12 ILE 18 28.643 14.827 22.884 822 3HD1 ILE 18 HD13 ILE 18 28.395 13.655 24.179 823 H GLU 19 HN GLU 19 29.240 17.845 25.940 824 HA GLU 19 HA GLU 19 30.116 16.954 28.452 825 1HB GLU 19 HB2 GLU 19 31.655 17.594 26.645 826 2HB GLU 19 HB1 GLU 19 31.145 19.269 26.798 827 1HG GLU 19 HG2 GLU 19 32.026 19.384 29.067 828 2HG GLU 19 HG1 GLU 19 32.427 17.669 29.028 829 H MET 20 HN MET 20 28.680 20.026 27.445 830 HA MET 20 HA MET 20 28.339 20.757 30.309 831 1HB MET 20 HB2 MET 20 28.804 22.698 28.029 832 2HB MET 20 HB1 MET 20 28.663 23.073 29.745 833 1HG MET 20 HG2 MET 20 30.974 23.003 29.663 834 2HG MET 20 HG1 MET 20 30.724 21.274 29.852 835 1HE MET 20 HE1 MET 20 33.074 23.355 28.244 836 2HE MET 20 HE2 MET 20 33.695 22.005 27.299 837 3HE MET 20 HE3 MET 20 33.280 21.765 28.995 838 H ASN 21 HN ASN 21 27.008 23.213 28.940 839 HA ASN 21 HA ASN 21 24.635 22.271 27.704 840 1HB ASN 21 HB2 ASN 21 23.069 22.676 29.579 841 2HB ASN 21 HB1 ASN 21 24.156 21.334 29.913 842 1HD2 ASN 21 HD21 ASN 21 23.237 22.220 32.204 843 2HD2 ASN 21 HD22 ASN 21 24.289 23.296 32.990 844 H GLN 22 HN GLN 22 26.168 24.244 26.862 845 HA GLN 22 HA GLN 22 25.764 26.813 27.925 846 1HB GLN 22 HB2 GLN 22 27.454 26.220 26.182 847 2HB GLN 22 HB1 GLN 22 26.144 26.090 25.007 848 1HG GLN 22 HG2 GLN 22 25.544 28.437 25.367 849 2HG GLN 22 HG1 GLN 22 26.779 28.579 26.617 850 1HE2 GLN 22 HE21 GLN 22 28.305 29.959 25.644 851 2HE2 GLN 22 HE22 GLN 22 29.033 29.658 24.140 852 H SER 23 HN SER 23 23.952 25.007 25.465 853 HA SER 23 HA SER 23 21.435 25.989 26.145 854 1HB SER 23 HB2 SER 23 21.881 28.209 25.479 855 2HB SER 23 HB1 SER 23 22.939 27.696 24.168 856 HG SER 23 HG SER 23 20.907 28.409 23.408 857 H GLU 24 HN GLU 24 21.572 23.597 25.646 858 HA GLU 24 HA GLU 24 20.299 23.110 23.126 859 1HB GLU 24 HB2 GLU 24 22.831 23.246 22.594 860 2HB GLU 24 HB1 GLU 24 22.985 21.728 23.463 861 1HG GLU 24 HG2 GLU 24 22.698 21.093 21.176 862 2HG GLU 24 HG1 GLU 24 21.117 20.830 21.904 863 H ASP 25 HN ASP 25 21.883 20.323 23.648 864 HA ASP 25 HA ASP 25 20.437 19.352 25.981 865 1HB ASP 25 HB2 ASP 25 19.773 18.432 23.180 866 2HB ASP 25 HB1 ASP 25 19.257 17.598 24.647 867 H LYS 26 HN LYS 26 20.589 16.696 25.572 868 HA LYS 26 HA LYS 26 23.486 16.248 25.579 869 1HB LYS 26 HB2 LYS 26 22.061 15.391 27.417 870 2HB LYS 26 HB1 LYS 26 21.232 14.359 26.257 871 1HG LYS 26 HG2 LYS 26 23.335 13.210 25.727 872 2HG LYS 26 HG1 LYS 26 24.223 14.314 26.774 873 1HD LYS 26 HD2 LYS 26 23.849 12.253 27.992 874 2HD LYS 26 HD1 LYS 26 22.852 13.512 28.713 875 1HE LYS 26 HE2 LYS 26 20.856 12.629 27.743 876 2HE LYS 26 HE1 LYS 26 21.756 11.632 26.599 877 1HZ LYS 26 HZ1 LYS 26 22.193 10.079 28.165 878 2HZ LYS 26 HZ2 LYS 26 20.753 10.681 28.836 879 3HZ LYS 26 HZ3 LYS 26 22.255 11.196 29.439 880 H ILE 27 HN ILE 27 21.396 13.634 24.667 881 HA ILE 27 HA ILE 27 22.956 13.012 22.395 882 HB ILE 27 HB ILE 27 20.264 12.087 23.410 883 1HG1 ILE 27 HG12 ILE 27 22.599 11.318 24.315 884 2HG1 ILE 27 HG11 ILE 27 21.383 10.089 23.999 885 1HG2 ILE 27 HG21 ILE 27 20.395 10.298 21.526 886 2HG2 ILE 27 HG22 ILE 27 21.482 11.426 20.714 887 3HG2 ILE 27 HG23 ILE 27 19.828 11.908 21.081 888 1HD1 ILE 27 HD11 ILE 27 23.378 10.799 21.834 889 2HD1 ILE 27 HD12 ILE 27 22.489 9.303 22.081 890 3HD1 ILE 27 HD13 ILE 27 23.825 9.716 23.144 891 H HIS 28 HN HIS 28 19.815 14.663 22.698 892 HA HIS 28 HA HIS 28 19.292 14.912 19.954 893 1HB HIS 28 HB2 HIS 28 18.529 16.661 22.303 894 2HB HIS 28 HB1 HIS 28 17.915 16.927 20.674 895 HD1 HIS 28 HD1 HIS 28 17.810 14.440 23.518 896 HD2 HIS 28 HD2 HIS 28 15.951 15.080 19.842 897 HE1 HIS 28 HE1 HIS 28 15.853 12.835 23.416 898 HE2 HIS 28 HE2 HIS 28 14.709 13.213 21.180 899 H ALA 29 HN ALA 29 21.876 16.167 21.684 900 HA ALA 29 HA ALA 29 22.259 18.730 20.630 901 1HB ALA 29 HB1 ALA 29 24.672 18.347 20.992 902 2HB ALA 29 HB2 ALA 29 24.349 16.635 21.250 903 3HB ALA 29 HB3 ALA 29 23.714 17.832 22.380 904 H MET 30 HN MET 30 23.312 15.584 19.315 905 HA MET 30 HA MET 30 24.492 16.671 16.968 906 1HB MET 30 HB2 MET 30 24.025 14.149 16.194 907 2HB MET 30 HB1 MET 30 25.263 14.494 17.394 908 1HG MET 30 HG2 MET 30 23.882 13.806 19.185 909 2HG MET 30 HG1 MET 30 22.416 13.932 18.219 910 1HE MET 30 HE1 MET 30 22.134 12.647 15.994 911 2HE MET 30 HE2 MET 30 21.245 11.847 17.287 912 3HE MET 30 HE3 MET 30 22.156 10.883 16.131 913 H ASN 31 HN ASN 31 21.321 15.103 17.551 914 HA ASN 31 HA ASN 31 20.348 15.296 14.934 915 1HB ASN 31 HB2 ASN 31 18.902 15.374 17.592 916 2HB ASN 31 HB1 ASN 31 18.070 15.257 16.043 917 1HD2 ASN 31 HD21 ASN 31 18.358 13.231 18.326 918 2HD2 ASN 31 HD22 ASN 31 18.952 11.835 17.566 919 H SER 32 HN SER 32 20.114 17.613 17.622 920 HA SER 32 HA SER 32 18.619 19.555 16.151 921 1HB SER 32 HB2 SER 32 19.222 21.063 18.008 922 2HB SER 32 HB1 SER 32 18.613 19.517 18.590 923 HG SER 32 HG SER 32 21.159 19.150 18.297 924 H TYR 33 HN TYR 33 22.063 19.356 17.069 925 HA TYR 33 HA TYR 33 22.882 21.684 15.692 926 1HB TYR 33 HB2 TYR 33 24.253 20.653 17.437 927 2HB TYR 33 HB1 TYR 33 24.452 19.204 16.449 928 HD1 TYR 33 HD2 TYR 33 25.720 19.268 14.345 929 HD2 TYR 33 HD1 TYR 33 25.528 22.680 16.945 930 HE1 TYR 33 HE2 TYR 33 27.639 20.295 13.149 931 HE2 TYR 33 HE1 TYR 33 27.450 23.701 15.754 932 HH TYR 33 HH TYR 33 28.695 23.578 13.820 933 H TYR 34 HN TYR 34 23.112 18.242 14.771 934 HA TYR 34 HA TYR 34 24.282 18.521 12.280 935 1HB TYR 34 HB2 TYR 34 23.845 16.346 13.414 936 2HB TYR 34 HB1 TYR 34 22.130 16.519 13.029 937 HD1 TYR 34 HD2 TYR 34 21.338 16.353 10.698 938 HD2 TYR 34 HD1 TYR 34 25.485 15.861 11.701 939 HE1 TYR 34 HE2 TYR 34 21.769 15.411 8.445 940 HE2 TYR 34 HE1 TYR 34 25.917 14.930 9.440 941 HH TYR 34 HH TYR 34 24.191 13.630 7.627 942 H ARG 35 HN ARG 35 20.850 18.664 13.154 943 HA ARG 35 HA ARG 35 19.908 19.087 10.497 944 1HB ARG 35 HB2 ARG 35 18.469 18.213 12.277 945 2HB ARG 35 HB1 ARG 35 18.609 19.732 13.157 946 1HG ARG 35 HG2 ARG 35 17.719 20.088 10.319 947 2HG ARG 35 HG1 ARG 35 16.600 19.144 11.294 948 1HD ARG 35 HD2 ARG 35 17.673 21.863 12.094 949 2HD ARG 35 HD1 ARG 35 16.103 21.583 11.339 950 HE ARG 35 HE ARG 35 16.834 21.026 14.092 951 1HH1 ARG 35 HH21 ARG 35 14.740 20.274 11.443 952 2HH1 ARG 35 HH22 ARG 35 13.460 19.675 12.445 953 1HH2 ARG 35 HH11 ARG 35 15.157 20.256 15.413 954 2HH2 ARG 35 HH12 ARG 35 13.696 19.665 14.694 955 H SER 36 HN SER 36 20.895 21.222 13.130 956 HA SER 36 HA SER 36 19.948 23.643 12.072 957 1HB SER 36 HB2 SER 36 22.411 23.192 13.771 958 2HB SER 36 HB1 SER 36 21.589 24.728 13.529 959 HG SER 36 HG SER 36 19.747 23.814 14.492 960 H VAL 37 HN VAL 37 22.952 21.866 11.531 961 HA VAL 37 HA VAL 37 24.144 23.911 9.891 962 HB VAL 37 HB VAL 37 24.778 20.957 10.141 963 1HG1 VAL 37 HG11 VAL 37 25.728 21.780 8.068 964 2HG1 VAL 37 HG12 VAL 37 27.033 21.709 9.250 965 3HG1 VAL 37 HG13 VAL 37 26.288 23.258 8.856 966 1HG2 VAL 37 HG21 VAL 37 25.018 22.179 12.246 967 2HG2 VAL 37 HG22 VAL 37 25.963 23.428 11.437 968 3HG2 VAL 37 HG23 VAL 37 26.603 21.795 11.589 969 H VAL 38 HN VAL 38 22.736 20.712 9.153 970 HA VAL 38 HA VAL 38 22.899 20.762 6.403 971 HB VAL 38 HB VAL 38 20.530 19.750 7.993 972 1HG1 VAL 38 HG11 VAL 38 21.574 19.112 5.220 973 2HG1 VAL 38 HG12 VAL 38 20.000 19.772 5.654 974 3HG1 VAL 38 HG13 VAL 38 20.396 18.106 6.062 975 1HG2 VAL 38 HG21 VAL 38 21.799 17.995 8.740 976 2HG2 VAL 38 HG22 VAL 38 23.220 18.925 8.298 977 3HG2 VAL 38 HG23 VAL 38 22.557 17.740 7.180 978 H SER 39 HN SER 39 20.497 22.346 8.469 979 HA SER 39 HA SER 39 18.776 23.195 6.388 980 1HB SER 39 HB2 SER 39 17.934 24.826 8.046 981 2HB SER 39 HB1 SER 39 18.068 23.209 8.730 982 HG SER 39 HG SER 39 19.864 25.388 9.020 983 H THR 40 HN THR 40 21.481 24.803 8.045 984 HA THR 40 HA THR 40 21.318 27.217 6.560 985 HB THR 40 HB THR 40 23.771 26.030 7.864 986 HG1 THR 40 HG1 THR 40 21.493 26.658 8.958 987 1HG2 THR 40 HG21 THR 40 22.961 28.851 7.119 988 2HG2 THR 40 HG22 THR 40 24.294 27.917 6.441 989 3HG2 THR 40 HG23 THR 40 24.358 28.454 8.118 990 H LEU 41 HN LEU 41 23.316 24.315 6.164 991 HA LEU 41 HA LEU 41 24.768 25.233 3.913 992 1HB LEU 41 HB2 LEU 41 24.248 22.599 5.228 993 2HB LEU 41 HB1 LEU 41 24.882 22.532 3.589 994 HG LEU 41 HG LEU 41 26.654 22.474 5.359 995 1HD1 LEU 41 HD11 LEU 41 28.143 23.638 4.064 996 2HD1 LEU 41 HD12 LEU 41 27.168 25.095 3.992 997 3HD1 LEU 41 HD13 LEU 41 26.799 23.731 2.940 998 1HD2 LEU 41 HD21 LEU 41 26.049 25.396 5.901 999 2HD2 LEU 41 HD22 LEU 41 27.065 24.288 6.818 1000 3HD2 LEU 41 HD23 LEU 41 25.322 24.117 6.863 1001 H VAL 42 HN VAL 42 21.653 23.640 4.221 1002 HA VAL 42 HA VAL 42 21.376 23.354 1.316 1003 HB VAL 42 HB VAL 42 19.516 22.751 3.642 1004 1HG1 VAL 42 HG11 VAL 42 18.076 23.287 1.793 1005 2HG1 VAL 42 HG12 VAL 42 18.183 21.529 1.820 1006 3HG1 VAL 42 HG13 VAL 42 19.120 22.450 0.644 1007 1HG2 VAL 42 HG21 VAL 42 20.909 20.894 1.675 1008 2HG2 VAL 42 HG22 VAL 42 20.057 20.443 3.154 1009 3HG2 VAL 42 HG23 VAL 42 21.588 21.313 3.247 1010 H GLN 43 HN GLN 43 20.169 25.419 3.924 1011 HA GLN 43 HA GLN 43 18.350 26.875 2.226 1012 1HB GLN 43 HB2 GLN 43 17.985 26.608 4.672 1013 2HB GLN 43 HB1 GLN 43 19.408 27.607 4.970 1014 1HG GLN 43 HG2 GLN 43 18.365 29.539 4.019 1015 2HG GLN 43 HG1 GLN 43 17.063 28.586 3.315 1016 1HE2 GLN 43 HE21 GLN 43 15.287 29.485 4.432 1017 2HE2 GLN 43 HE22 GLN 43 15.132 29.465 6.121 1018 H ASP 44 HN ASP 44 21.635 26.796 2.275 1019 HA ASP 44 HA ASP 44 21.846 29.345 0.883 1020 1HB ASP 44 HB2 ASP 44 23.442 28.856 3.411 1021 2HB ASP 44 HB1 ASP 44 23.604 30.233 2.327 1022 H GLN 45 HN GLN 45 24.182 29.681 0.184 1023 HA GLN 45 HA GLN 45 25.902 28.886 -1.120 1024 1HB GLN 45 HB2 GLN 45 26.614 28.271 1.262 1025 2HB GLN 45 HB1 GLN 45 26.055 26.637 0.916 1026 1HG GLN 45 HG2 GLN 45 27.630 26.452 -0.933 1027 2HG GLN 45 HG1 GLN 45 28.115 28.123 -0.733 1028 1HE2 GLN 45 HE21 GLN 45 29.979 25.949 -0.585 1029 2HE2 GLN 45 HE22 GLN 45 30.563 25.867 1.007 1030 H LEU 46 HN LEU 46 23.373 28.118 -2.034 1031 HA LEU 46 HA LEU 46 23.431 25.272 -2.675 1032 1HB LEU 46 HB2 LEU 46 21.602 27.494 -3.650 1033 2HB LEU 46 HB1 LEU 46 21.414 25.784 -4.020 1034 HG LEU 46 HG LEU 46 21.540 25.609 -1.283 1035 1HD1 LEU 46 HD11 LEU 46 21.734 28.154 -1.185 1036 2HD1 LEU 46 HD12 LEU 46 20.464 27.432 -0.199 1037 3HD1 LEU 46 HD13 LEU 46 20.056 28.213 -1.724 1038 1HD2 LEU 46 HD21 LEU 46 19.119 26.190 -3.018 1039 2HD2 LEU 46 HD22 LEU 46 18.994 25.685 -1.338 1040 3HD2 LEU 46 HD23 LEU 46 19.740 24.618 -2.522 1041 H THR 47 HN THR 47 25.765 26.507 -3.525 1042 HA THR 47 HA THR 47 25.684 27.360 -6.214 1043 HB THR 47 HB THR 47 27.597 27.879 -4.840 1044 HG1 THR 47 HG1 THR 47 29.241 26.938 -6.226 1045 1HG2 THR 47 HG21 THR 47 27.438 25.748 -3.458 1046 2HG2 THR 47 HG22 THR 47 29.066 26.224 -3.933 1047 3HG2 THR 47 HG23 THR 47 28.242 24.931 -4.794 1048 H LYS 48 HN LYS 48 26.221 24.215 -4.717 1049 HA LYS 48 HA LYS 48 25.280 22.884 -7.105 1050 1HB LYS 48 HB2 LYS 48 27.598 23.229 -7.744 1051 2HB LYS 48 HB1 LYS 48 28.148 22.594 -6.201 1052 1HG LYS 48 HG2 LYS 48 28.366 20.942 -8.044 1053 2HG LYS 48 HG1 LYS 48 27.312 20.372 -6.765 1054 1HD LYS 48 HD2 LYS 48 25.335 20.830 -8.055 1055 2HD LYS 48 HD1 LYS 48 26.253 21.751 -9.248 1056 1HE LYS 48 HE2 LYS 48 25.721 19.553 -10.135 1057 2HE LYS 48 HE1 LYS 48 27.457 19.632 -9.835 1058 1HZ LYS 48 HZ1 LYS 48 25.402 18.392 -8.094 1059 2HZ LYS 48 HZ2 LYS 48 27.037 18.572 -7.668 1060 3HZ LYS 48 HZ3 LYS 48 26.601 17.584 -8.980 1061 H ASN 49 HN ASN 49 24.244 21.055 -6.567 1062 HA ASN 49 HA ASN 49 23.622 20.304 -4.007 1063 1HB ASN 49 HB2 ASN 49 23.851 18.564 -6.461 1064 2HB ASN 49 HB1 ASN 49 23.100 18.036 -4.956 1065 1HD2 ASN 49 HD21 ASN 49 21.617 18.248 -7.415 1066 2HD2 ASN 49 HD22 ASN 49 20.469 19.483 -7.225 1067 H ALA 50 HN ALA 50 26.329 19.097 -5.991 1068 HA ALA 50 HA ALA 50 27.287 17.180 -4.151 1069 1HB ALA 50 HB1 ALA 50 28.955 18.784 -6.089 1070 2HB ALA 50 HB2 ALA 50 27.989 17.383 -6.550 1071 3HB ALA 50 HB3 ALA 50 29.329 17.199 -5.417 1072 H VAL 51 HN VAL 51 28.318 20.557 -4.697 1073 HA VAL 51 HA VAL 51 30.318 20.746 -2.762 1074 HB VAL 51 HB VAL 51 28.327 22.782 -3.762 1075 1HG1 VAL 51 HG11 VAL 51 30.028 24.475 -2.709 1076 2HG1 VAL 51 HG12 VAL 51 30.509 23.129 -1.684 1077 3HG1 VAL 51 HG13 VAL 51 28.848 23.718 -1.643 1078 1HG2 VAL 51 HG21 VAL 51 30.195 21.819 -5.244 1079 2HG2 VAL 51 HG22 VAL 51 31.330 22.657 -4.186 1080 3HG2 VAL 51 HG23 VAL 51 30.142 23.575 -5.109 1081 H VAL 52 HN VAL 52 26.818 21.271 -2.319 1082 HA VAL 52 HA VAL 52 27.131 21.716 0.517 1083 HB VAL 52 HB VAL 52 24.622 21.668 0.563 1084 1HG1 VAL 52 HG11 VAL 52 25.956 23.319 -1.616 1085 2HG1 VAL 52 HG12 VAL 52 25.747 23.776 0.075 1086 3HG1 VAL 52 HG13 VAL 52 24.341 23.639 -0.979 1087 1HG2 VAL 52 HG21 VAL 52 24.171 20.029 -1.187 1088 2HG2 VAL 52 HG22 VAL 52 25.011 21.028 -2.355 1089 3HG2 VAL 52 HG23 VAL 52 23.484 21.572 -1.689 1090 H LEU 53 HN LEU 53 25.964 19.049 -1.489 1091 HA LEU 53 HA LEU 53 25.149 17.320 0.555 1092 1HB LEU 53 HB2 LEU 53 24.692 16.885 -1.824 1093 2HB LEU 53 HB1 LEU 53 26.403 16.619 -2.100 1094 HG LEU 53 HG LEU 53 26.355 14.655 -0.592 1095 1HD1 LEU 53 HD11 LEU 53 23.918 13.841 -0.039 1096 2HD1 LEU 53 HD12 LEU 53 23.488 15.541 -0.212 1097 3HD1 LEU 53 HD13 LEU 53 24.673 15.046 0.996 1098 1HD2 LEU 53 HD21 LEU 53 24.173 14.543 -2.693 1099 2HD2 LEU 53 HD22 LEU 53 25.133 13.191 -2.092 1100 3HD2 LEU 53 HD23 LEU 53 25.899 14.460 -3.047 1101 H LYS 54 HN LYS 54 28.349 17.745 -0.917 1102 HA LYS 54 HA LYS 54 29.718 15.658 0.309 1103 1HB LYS 54 HB2 LYS 54 30.556 18.445 -0.509 1104 2HB LYS 54 HB1 LYS 54 31.721 17.290 0.138 1105 1HG LYS 54 HG2 LYS 54 31.452 15.799 -1.691 1106 2HG LYS 54 HG1 LYS 54 29.936 16.529 -2.196 1107 1HD LYS 54 HD2 LYS 54 31.763 17.195 -3.707 1108 2HD LYS 54 HD1 LYS 54 31.122 18.585 -2.837 1109 1HE LYS 54 HE2 LYS 54 33.672 18.439 -2.961 1110 2HE LYS 54 HE1 LYS 54 32.997 18.648 -1.348 1111 1HZ LYS 54 HZ1 LYS 54 33.356 16.423 -0.830 1112 2HZ LYS 54 HZ2 LYS 54 34.762 16.865 -1.675 1113 3HZ LYS 54 HZ3 LYS 54 33.548 15.963 -2.451 1114 H ARG 55 HN ARG 55 29.100 18.944 1.540 1115 HA ARG 55 HA ARG 55 30.506 18.670 3.963 1116 1HB ARG 55 HB2 ARG 55 28.394 20.492 2.885 1117 2HB ARG 55 HB1 ARG 55 28.539 20.454 4.639 1118 1HG ARG 55 HG2 ARG 55 29.955 22.220 3.649 1119 2HG ARG 55 HG1 ARG 55 30.920 21.013 4.485 1120 1HD ARG 55 HD2 ARG 55 30.449 20.559 1.564 1121 2HD ARG 55 HD1 ARG 55 31.550 21.856 2.005 1122 HE ARG 55 HE ARG 55 32.175 19.488 3.460 1123 1HH1 ARG 55 HH21 ARG 55 32.298 20.953 0.327 1124 2HH1 ARG 55 HH22 ARG 55 33.711 20.088 -0.177 1125 1HH2 ARG 55 HH11 ARG 55 34.037 18.353 2.807 1126 2HH2 ARG 55 HH12 ARG 55 34.696 18.616 1.228 1127 H ILE 56 HN ILE 56 27.166 17.863 3.081 1128 HA ILE 56 HA ILE 56 26.306 17.214 5.705 1129 HB ILE 56 HB ILE 56 25.309 16.036 3.098 1130 1HG1 ILE 56 HG12 ILE 56 25.279 18.410 2.820 1131 2HG1 ILE 56 HG11 ILE 56 23.641 17.932 3.163 1132 1HG2 ILE 56 HG21 ILE 56 24.416 14.927 5.054 1133 2HG2 ILE 56 HG22 ILE 56 23.158 15.935 4.341 1134 3HG2 ILE 56 HG23 ILE 56 24.007 16.474 5.789 1135 1HD1 ILE 56 HD11 ILE 56 25.605 19.371 4.945 1136 2HD1 ILE 56 HD12 ILE 56 24.225 18.511 5.632 1137 3HD1 ILE 56 HD13 ILE 56 23.967 19.834 4.499 1138 H GLN 57 HN GLN 57 27.412 15.124 3.024 1139 HA GLN 57 HA GLN 57 27.295 12.664 4.304 1140 1HB GLN 57 HB2 GLN 57 29.329 13.677 2.292 1141 2HB GLN 57 HB1 GLN 57 29.115 11.982 2.731 1142 1HG GLN 57 HG2 GLN 57 26.777 12.066 1.969 1143 2HG GLN 57 HG1 GLN 57 26.970 13.769 1.558 1144 1HE2 GLN 57 HE21 GLN 57 27.131 10.659 0.244 1145 2HE2 GLN 57 HE22 GLN 57 28.067 11.017 -1.126 1146 H HIS 58 HN HIS 58 29.990 15.005 4.248 1147 HA HIS 58 HA HIS 58 31.718 13.480 5.906 1148 1HB HIS 58 HB2 HIS 58 31.634 16.468 5.414 1149 2HB HIS 58 HB1 HIS 58 32.975 15.587 6.144 1150 HD1 HIS 58 HD1 HIS 58 33.676 17.025 3.610 1151 HD2 HIS 58 HD2 HIS 58 32.082 13.172 3.570 1152 HE1 HIS 58 HE1 HIS 58 34.317 16.006 1.381 1153 HE2 HIS 58 HE2 HIS 58 33.354 13.655 1.344 1154 H LEU 59 HN LEU 59 29.449 16.136 6.565 1155 HA LEU 59 HA LEU 59 29.978 16.544 9.254 1156 1HB LEU 59 HB2 LEU 59 28.348 17.867 7.863 1157 2HB LEU 59 HB1 LEU 59 27.213 16.533 8.008 1158 HG LEU 59 HG LEU 59 27.327 16.781 10.508 1159 1HD1 LEU 59 HD11 LEU 59 29.293 17.843 11.115 1160 2HD1 LEU 59 HD12 LEU 59 28.194 19.209 11.158 1161 3HD1 LEU 59 HD13 LEU 59 29.243 18.979 9.767 1162 1HD2 LEU 59 HD21 LEU 59 25.522 17.789 9.189 1163 2HD2 LEU 59 HD22 LEU 59 26.486 19.254 8.991 1164 3HD2 LEU 59 HD23 LEU 59 25.925 18.776 10.592 1165 H ASP 60 HN ASP 60 28.357 13.878 7.705 1166 HA ASP 60 HA ASP 60 26.876 12.791 9.780 1167 1HB ASP 60 HB2 ASP 60 27.003 11.944 7.408 1168 2HB ASP 60 HB1 ASP 60 28.550 11.207 7.817 1169 H GLU 61 HN GLU 61 30.341 12.386 9.090 1170 HA GLU 61 HA GLU 61 31.021 10.533 11.032 1171 1HB GLU 61 HB2 GLU 61 33.258 11.257 10.761 1172 2HB GLU 61 HB1 GLU 61 32.491 11.717 9.241 1173 1HG GLU 61 HG2 GLU 61 32.072 14.026 10.400 1174 2HG GLU 61 HG1 GLU 61 33.257 13.488 11.575 1175 H ALA 62 HN ALA 62 30.149 13.898 11.434 1176 HA ALA 62 HA ALA 62 31.187 14.219 14.069 1177 1HB ALA 62 HB1 ALA 62 29.939 16.256 14.127 1178 2HB ALA 62 HB2 ALA 62 28.809 15.682 12.901 1179 3HB ALA 62 HB3 ALA 62 30.472 16.062 12.456 1180 H TYR 63 HN TYR 63 27.769 13.913 13.028 1181 HA TYR 63 HA TYR 63 26.609 13.547 15.477 1182 1HB TYR 63 HB2 TYR 63 24.734 13.206 14.180 1183 2HB TYR 63 HB1 TYR 63 25.789 13.262 12.778 1184 HD1 TYR 63 HD2 TYR 63 24.393 10.943 15.358 1185 HD2 TYR 63 HD1 TYR 63 26.088 11.299 11.445 1186 HE1 TYR 63 HE2 TYR 63 23.924 8.548 14.947 1187 HE2 TYR 63 HE1 TYR 63 25.632 8.899 11.023 1188 HH TYR 63 HH TYR 63 24.260 6.825 13.563 1189 H ASN 64 HN ASN 64 28.055 11.060 13.388 1190 HA ASN 64 HA ASN 64 27.479 8.812 14.950 1191 1HB ASN 64 HB2 ASN 64 28.298 8.672 12.630 1192 2HB ASN 64 HB1 ASN 64 29.866 9.287 13.152 1193 1HD2 ASN 64 HD21 ASN 64 30.473 7.016 12.153 1194 2HD2 ASN 64 HD22 ASN 64 30.463 5.706 13.233 1195 H LYS 65 HN LYS 65 30.103 11.151 15.091 1196 HA LYS 65 HA LYS 65 31.758 9.766 16.879 1197 1HB LYS 65 HB2 LYS 65 32.257 11.932 15.549 1198 2HB LYS 65 HB1 LYS 65 31.469 12.778 16.877 1199 1HG LYS 65 HG2 LYS 65 33.682 12.797 17.665 1200 2HG LYS 65 HG1 LYS 65 33.134 11.292 18.385 1201 1HD LYS 65 HD2 LYS 65 34.087 10.039 16.465 1202 2HD LYS 65 HD1 LYS 65 34.639 11.558 15.757 1203 1HE LYS 65 HE2 LYS 65 36.492 10.551 16.968 1204 2HE LYS 65 HE1 LYS 65 35.959 11.985 17.847 1205 1HZ LYS 65 HZ1 LYS 65 36.289 9.657 19.024 1206 2HZ LYS 65 HZ2 LYS 65 34.679 9.453 18.520 1207 3HZ LYS 65 HZ3 LYS 65 35.100 10.758 19.523 1208 H VAL 66 HN VAL 66 28.912 11.760 17.385 1209 HA VAL 66 HA VAL 66 29.209 12.018 20.217 1210 HB VAL 66 HB VAL 66 26.699 12.268 18.506 1211 1HG1 VAL 66 HG11 VAL 66 27.349 13.138 21.335 1212 2HG1 VAL 66 HG12 VAL 66 26.106 11.991 20.840 1213 3HG1 VAL 66 HG13 VAL 66 25.941 13.699 20.432 1214 1HG2 VAL 66 HG21 VAL 66 27.237 14.714 18.731 1215 2HG2 VAL 66 HG22 VAL 66 28.410 13.820 17.766 1216 3HG2 VAL 66 HG23 VAL 66 28.791 14.266 19.431 1217 H LYS 67 HN LYS 67 27.181 9.921 18.183 1218 HA LYS 67 HA LYS 67 26.148 8.384 20.369 1219 1HB LYS 67 HB2 LYS 67 26.244 7.830 17.425 1220 2HB LYS 67 HB1 LYS 67 25.259 6.994 18.614 1221 1HG LYS 67 HG2 LYS 67 24.879 9.860 18.967 1222 2HG LYS 67 HG1 LYS 67 24.661 9.458 17.281 1223 1HD LYS 67 HD2 LYS 67 23.264 7.995 19.531 1224 2HD LYS 67 HD1 LYS 67 22.569 9.411 18.737 1225 1HE LYS 67 HE2 LYS 67 22.310 8.273 16.667 1226 2HE LYS 67 HE1 LYS 67 23.437 6.993 17.109 1227 1HZ LYS 67 HZ1 LYS 67 21.825 5.846 18.097 1228 2HZ LYS 67 HZ2 LYS 67 20.725 6.895 17.339 1229 3HZ LYS 67 HZ3 LYS 67 21.234 7.199 18.931 1230 H ARG 68 HN ARG 68 28.978 8.273 18.466 1231 HA ARG 68 HA ARG 68 29.765 5.718 18.230 1232 1HB ARG 68 HB2 ARG 68 31.191 7.640 17.667 1233 2HB ARG 68 HB1 ARG 68 31.469 7.950 19.370 1234 1HG ARG 68 HG2 ARG 68 33.352 6.763 18.387 1235 2HG ARG 68 HG1 ARG 68 32.563 5.740 19.571 1236 1HD ARG 68 HD2 ARG 68 31.747 5.527 16.671 1237 2HD ARG 68 HD1 ARG 68 33.220 4.736 17.218 1238 HE ARG 68 HE ARG 68 31.212 3.998 19.009 1239 1HH1 ARG 68 HH21 ARG 68 31.935 3.756 15.634 1240 2HH1 ARG 68 HH22 ARG 68 31.125 2.239 15.426 1241 1HH2 ARG 68 HH11 ARG 68 30.160 2.000 18.749 1242 2HH2 ARG 68 HH12 ARG 68 30.120 1.244 17.190 1243 H GLY 69 HN GLY 69 29.313 7.439 21.214 1244 1HA GLY 69 HA2 GLY 69 28.806 5.433 22.885 1245 2HA GLY 69 HA1 GLY 69 30.563 5.381 22.848 1246 H GLU 70 HN GLU 70 27.907 7.723 23.245 1247 HA GLU 70 HA GLU 70 29.535 9.171 25.278 1248 1HB GLU 70 HB2 GLU 70 27.406 10.104 23.325 1249 2HB GLU 70 HB1 GLU 70 27.877 11.072 24.723 1250 1HG GLU 70 HG2 GLU 70 29.895 10.044 22.697 1251 2HG GLU 70 HG1 GLU 70 29.137 11.633 22.586 1252 H SER 71 HN SER 71 26.531 7.517 24.621 1253 HA SER 71 HA SER 71 25.254 8.407 27.056 1254 1HB SER 71 HB2 SER 71 24.502 6.224 25.112 1255 2HB SER 71 HB1 SER 71 23.494 6.787 26.441 1256 HG SER 71 HG SER 71 23.779 8.930 25.423 1257 H LYS 72 HN LYS 72 27.645 6.217 26.344 1258 HA LYS 72 HA LYS 72 26.934 4.187 28.290 1259 1HB LYS 72 HB2 LYS 72 29.426 4.765 26.684 1260 2HB LYS 72 HB1 LYS 72 29.276 3.393 27.784 1261 1HG LYS 72 HG2 LYS 72 27.298 2.608 26.502 1262 2HG LYS 72 HG1 LYS 72 27.514 3.952 25.380 1263 1HD LYS 72 HD2 LYS 72 29.736 3.119 24.768 1264 2HD LYS 72 HD1 LYS 72 29.581 1.803 25.931 1265 1HE LYS 72 HE2 LYS 72 29.032 0.977 23.699 1266 2HE LYS 72 HE1 LYS 72 27.575 0.991 24.695 1267 1HZ LYS 72 HZ1 LYS 72 26.900 3.042 23.698 1268 2HZ LYS 72 HZ2 LYS 72 27.240 1.932 22.458 1269 3HZ LYS 72 HZ3 LYS 72 28.350 3.164 22.828 1270 H LEU 73 HN LEU 73 26.755 5.132 30.280 1271 HA LEU 73 HA LEU 73 28.621 7.024 31.325 1272 1HB LEU 73 HB2 LEU 73 27.578 6.450 33.524 1273 2HB LEU 73 HB1 LEU 73 26.426 6.927 32.281 1274 HG LEU 73 HG LEU 73 26.922 4.001 32.210 1275 1HD1 LEU 73 HD11 LEU 73 27.274 4.177 34.599 1276 2HD1 LEU 73 HD12 LEU 73 25.681 3.475 34.300 1277 3HD1 LEU 73 HD13 LEU 73 25.820 5.165 34.781 1278 1HD2 LEU 73 HD21 LEU 73 25.009 5.233 31.129 1279 2HD2 LEU 73 HD22 LEU 73 24.357 5.532 32.740 1280 3HD2 LEU 73 HD23 LEU 73 24.513 3.880 32.146 1281 H GLU 74 HN GLU 74 30.548 5.744 30.575 1282 HA GLU 74 HA GLU 74 31.367 3.318 31.640 1283 1HB GLU 74 HB2 GLU 74 33.073 5.744 31.032 1284 2HB GLU 74 HB1 GLU 74 33.676 4.101 31.246 1285 1HG GLU 74 HG2 GLU 74 32.203 3.378 29.347 1286 2HG GLU 74 HG1 GLU 74 31.759 5.062 29.113 1287 H HIS 75 HN HIS 75 33.541 5.680 32.778 1288 HA HIS 75 HA HIS 75 32.584 5.490 35.577 1289 1HB HIS 75 HB2 HIS 75 34.217 3.660 35.197 1290 2HB HIS 75 HB1 HIS 75 35.415 4.859 34.709 1291 HD1 HIS 75 HD1 HIS 75 33.297 3.892 37.710 1292 HD2 HIS 75 HD2 HIS 75 36.726 6.101 36.848 1293 HE1 HIS 75 HE1 HIS 75 34.291 4.571 39.939 1294 HE2 HIS 75 HE2 HIS 75 36.382 5.918 39.431 1295 H HIS 76 HN HIS 76 32.294 7.540 36.122 1296 HA HIS 76 HA HIS 76 32.638 9.799 36.382 1297 1HB HIS 76 HB2 HIS 76 35.512 8.831 36.366 1298 2HB HIS 76 HB1 HIS 76 35.003 10.444 36.861 1299 HD1 HIS 76 HD1 HIS 76 33.198 7.208 37.674 1300 HD2 HIS 76 HD2 HIS 76 35.349 10.197 39.627 1301 HE1 HIS 76 HE1 HIS 76 32.963 6.756 40.155 1302 HE2 HIS 76 HE2 HIS 76 34.268 8.571 41.359 1303 H HIS 77 HN HIS 77 33.982 11.735 35.443 1304 HA HIS 77 HA HIS 77 33.433 11.867 32.673 1305 1HB HIS 77 HB2 HIS 77 33.489 13.849 34.150 1306 2HB HIS 77 HB1 HIS 77 35.231 13.650 34.333 1307 HD1 HIS 77 HD1 HIS 77 32.675 14.166 31.549 1308 HD2 HIS 77 HD2 HIS 77 36.701 14.900 32.344 1309 HE1 HIS 77 HE1 HIS 77 33.562 15.497 29.585 1310 HE2 HIS 77 HE2 HIS 77 36.016 15.952 30.055 1311 H HIS 78 HN HIS 78 36.432 11.359 34.487 1312 HA HIS 78 HA HIS 78 37.685 10.222 32.076 1313 1HB HIS 78 HB2 HIS 78 38.327 12.607 32.076 1314 2HB HIS 78 HB1 HIS 78 38.965 12.435 33.708 1315 HD1 HIS 78 HD1 HIS 78 39.422 10.698 30.336 1316 HD2 HIS 78 HD2 HIS 78 41.655 11.793 33.682 1317 HE1 HIS 78 HE1 HIS 78 41.814 10.019 29.854 1318 HE2 HIS 78 HE2 HIS 78 43.188 10.680 31.885 1319 H HIS 79 HN HIS 79 39.230 11.271 35.072 1320 HA HIS 79 HA HIS 79 39.174 8.612 36.246 1321 1HB HIS 79 HB2 HIS 79 41.738 9.779 35.118 1322 2HB HIS 79 HB1 HIS 79 41.687 8.435 36.258 1323 HD1 HIS 79 HD1 HIS 79 40.961 9.321 32.687 1324 HD2 HIS 79 HD2 HIS 79 40.673 5.990 35.177 1325 HE1 HIS 79 HE1 HIS 79 40.521 7.335 31.179 1326 HE2 HIS 79 HE2 HIS 79 40.343 5.296 32.681 1327 H HIS 80 HN HIS 80 40.558 11.878 36.251 1328 HA HIS 80 HA HIS 80 41.424 11.889 38.942 1329 1HB HIS 80 HB2 HIS 80 41.421 14.345 38.706 1330 2HB HIS 80 HB1 HIS 80 42.167 13.562 37.312 1331 HD1 HIS 80 HD1 HIS 80 39.049 12.720 36.395 1332 HD2 HIS 80 HD2 HIS 80 40.736 16.507 36.838 1333 HE1 HIS 80 HE1 HIS 80 37.657 14.293 34.981 1334 HE2 HIS 80 HE2 HIS 80 38.672 16.606 35.240 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -3.631 6.168 -6.271 2 2H MET 1 HT2 MET 1 -3.567 4.855 -7.346 3 3H MET 1 HT3 MET 1 -4.152 6.360 -7.873 4 HA MET 1 HA MET 1 -1.409 5.457 -7.486 5 1HB MET 1 HB2 MET 1 -2.823 7.397 -9.337 6 2HB MET 1 HB1 MET 1 -1.107 7.009 -9.427 7 1HG MET 1 HG2 MET 1 -3.301 4.922 -9.600 8 2HG MET 1 HG1 MET 1 -2.572 5.679 -11.012 9 1HE MET 1 HE1 MET 1 0.184 5.901 -11.093 10 2HE MET 1 HE2 MET 1 -0.613 4.788 -12.199 11 3HE MET 1 HE3 MET 1 0.864 4.294 -11.375 12 H SER 2 HN SER 2 -3.538 8.066 -6.592 13 HA SER 2 HA SER 2 -1.659 10.111 -6.152 14 1HB SER 2 HB2 SER 2 -4.093 10.485 -6.134 15 2HB SER 2 HB1 SER 2 -4.225 9.546 -4.649 16 HG SER 2 HG SER 2 -3.591 11.238 -3.588 17 H GLU 3 HN GLU 3 -2.838 7.518 -4.031 18 HA GLU 3 HA GLU 3 -1.608 8.237 -1.649 19 1HB GLU 3 HB2 GLU 3 -1.565 5.787 -1.147 20 2HB GLU 3 HB1 GLU 3 -3.125 6.348 -1.748 21 1HG GLU 3 HG2 GLU 3 -2.510 5.588 -4.025 22 2HG GLU 3 HG1 GLU 3 -0.973 4.991 -3.404 23 H LEU 4 HN LEU 4 0.382 7.825 -0.706 24 HA LEU 4 HA LEU 4 2.622 7.405 -0.569 25 1HB LEU 4 HB2 LEU 4 1.829 5.346 -2.093 26 2HB LEU 4 HB1 LEU 4 2.765 6.189 -3.321 27 HG LEU 4 HG LEU 4 3.763 5.318 -0.597 28 1HD1 LEU 4 HD11 LEU 4 5.194 3.776 -1.970 29 2HD1 LEU 4 HD12 LEU 4 4.292 4.278 -3.400 30 3HD1 LEU 4 HD13 LEU 4 3.471 3.425 -2.092 31 1HD2 LEU 4 HD21 LEU 4 4.951 7.312 -1.182 32 2HD2 LEU 4 HD22 LEU 4 5.084 6.831 -2.874 33 3HD2 LEU 4 HD23 LEU 4 6.018 5.986 -1.640 34 H PHE 5 HN PHE 5 1.853 8.111 -3.982 35 HA PHE 5 HA PHE 5 4.126 9.685 -4.490 36 1HB PHE 5 HB2 PHE 5 1.379 9.575 -5.752 37 2HB PHE 5 HB1 PHE 5 2.632 10.655 -6.364 38 HD1 PHE 5 HD1 PHE 5 1.729 7.096 -5.774 39 HD2 PHE 5 HD2 PHE 5 4.520 9.801 -7.598 40 HE1 PHE 5 HE1 PHE 5 2.734 5.209 -7.030 41 HE2 PHE 5 HE2 PHE 5 5.528 7.914 -8.853 42 HZ PHE 5 HZ PHE 5 4.635 5.619 -8.569 43 H SER 6 HN SER 6 0.907 10.557 -3.310 44 HA SER 6 HA SER 6 1.368 13.371 -3.328 45 1HB SER 6 HB2 SER 6 -0.800 13.508 -2.496 46 2HB SER 6 HB1 SER 6 -0.846 11.875 -3.111 47 HG SER 6 HG SER 6 -1.514 12.285 -0.820 48 H VAL 7 HN VAL 7 2.050 14.732 -1.716 49 HA VAL 7 HA VAL 7 3.845 13.679 0.235 50 HB VAL 7 HB VAL 7 2.697 16.475 0.297 51 1HG1 VAL 7 HG11 VAL 7 4.825 17.063 1.220 52 2HG1 VAL 7 HG12 VAL 7 5.431 15.432 0.970 53 3HG1 VAL 7 HG13 VAL 7 4.155 15.725 2.142 54 1HG2 VAL 7 HG21 VAL 7 4.860 15.389 -1.521 55 2HG2 VAL 7 HG22 VAL 7 4.518 17.103 -1.277 56 3HG2 VAL 7 HG23 VAL 7 3.307 16.060 -2.016 57 HA PRO 8 HA PRO 8 0.131 15.086 3.216 58 1HB PRO 8 HB2 PRO 8 -1.978 13.801 1.488 59 2HB PRO 8 HB1 PRO 8 -2.114 15.208 2.561 60 1HG PRO 8 HG2 PRO 8 -1.980 15.505 -0.086 61 2HG PRO 8 HG1 PRO 8 -1.166 16.647 1.005 62 1HD PRO 8 HD2 PRO 8 0.026 14.479 -0.656 63 2HD PRO 8 HD1 PRO 8 0.709 16.031 -0.222 64 H TYR 9 HN TYR 9 0.568 12.220 1.258 65 HA TYR 9 HA TYR 9 -0.581 10.336 3.074 66 1HB TYR 9 HB2 TYR 9 -0.237 9.847 0.675 67 2HB TYR 9 HB1 TYR 9 1.508 9.909 0.916 68 HD1 TYR 9 HD2 TYR 9 -1.600 8.077 1.772 69 HD2 TYR 9 HD1 TYR 9 2.691 8.079 1.988 70 HE1 TYR 9 HE2 TYR 9 -1.636 5.709 2.511 71 HE2 TYR 9 HE1 TYR 9 2.654 5.712 2.726 72 HH TYR 9 HH TYR 9 1.392 3.949 3.194 73 H PHE 10 HN PHE 10 2.688 11.568 2.522 74 HA PHE 10 HA PHE 10 4.028 9.846 4.322 75 1HB PHE 10 HB2 PHE 10 4.654 12.225 2.725 76 2HB PHE 10 HB1 PHE 10 5.467 12.303 4.281 77 HD1 PHE 10 HD1 PHE 10 4.626 9.577 1.827 78 HD2 PHE 10 HD2 PHE 10 7.685 11.492 4.160 79 HE1 PHE 10 HE1 PHE 10 6.292 7.938 0.993 80 HE2 PHE 10 HE2 PHE 10 9.338 9.853 3.323 81 HZ PHE 10 HZ PHE 10 8.655 8.079 1.746 82 H ILE 11 HN ILE 11 2.684 13.105 4.753 83 HA ILE 11 HA ILE 11 3.450 13.389 7.445 84 HB ILE 11 HB ILE 11 1.192 14.635 5.859 85 1HG1 ILE 11 HG12 ILE 11 3.826 15.816 6.774 86 2HG1 ILE 11 HG11 ILE 11 3.630 15.072 5.195 87 1HG2 ILE 11 HG21 ILE 11 0.583 14.818 8.205 88 2HG2 ILE 11 HG22 ILE 11 1.250 16.365 7.714 89 3HG2 ILE 11 HG23 ILE 11 2.240 15.247 8.643 90 1HD1 ILE 11 HD11 ILE 11 1.833 16.672 4.657 91 2HD1 ILE 11 HD12 ILE 11 3.321 17.523 5.073 92 3HD1 ILE 11 HD13 ILE 11 2.011 17.410 6.247 93 H GLU 12 HN GLU 12 0.512 12.121 5.933 94 HA GLU 12 HA GLU 12 -1.131 11.819 8.116 95 1HB GLU 12 HB2 GLU 12 -1.678 11.266 5.717 96 2HB GLU 12 HB1 GLU 12 -0.809 9.746 5.930 97 1HG GLU 12 HG2 GLU 12 -2.310 9.143 7.782 98 2HG GLU 12 HG1 GLU 12 -3.164 10.671 7.585 99 H ASN 13 HN ASN 13 1.773 10.077 7.355 100 HA ASN 13 HA ASN 13 1.309 7.866 9.142 101 1HB ASN 13 HB2 ASN 13 2.825 7.726 7.190 102 2HB ASN 13 HB1 ASN 13 3.901 8.883 7.969 103 1HD2 ASN 13 HD21 ASN 13 3.924 5.748 7.369 104 2HD2 ASN 13 HD22 ASN 13 4.533 5.121 8.824 105 H LEU 14 HN LEU 14 2.951 10.985 9.320 106 HA LEU 14 HA LEU 14 4.249 10.620 11.806 107 1HB LEU 14 HB2 LEU 14 3.218 13.223 10.656 108 2HB LEU 14 HB1 LEU 14 4.538 13.014 11.809 109 HG LEU 14 HG LEU 14 4.514 11.916 8.984 110 1HD1 LEU 14 HD11 LEU 14 5.970 13.663 8.345 111 2HD1 LEU 14 HD12 LEU 14 6.197 14.209 9.998 112 3HD1 LEU 14 HD13 LEU 14 4.646 14.450 9.195 113 1HD2 LEU 14 HD21 LEU 14 7.043 11.728 9.548 114 2HD2 LEU 14 HD22 LEU 14 5.961 10.512 10.195 115 3HD2 LEU 14 HD23 LEU 14 6.535 11.821 11.229 116 H LYS 15 HN LYS 15 1.043 11.812 10.938 117 HA LYS 15 HA LYS 15 0.239 12.793 13.400 118 1HB LYS 15 HB2 LYS 15 -1.351 11.406 11.243 119 2HB LYS 15 HB1 LYS 15 -2.078 12.202 12.638 120 1HG LYS 15 HG2 LYS 15 -1.041 14.329 12.006 121 2HG LYS 15 HG1 LYS 15 -0.227 13.549 10.653 122 1HD LYS 15 HD2 LYS 15 -2.185 14.666 9.786 123 2HD LYS 15 HD1 LYS 15 -2.475 12.933 9.726 124 1HE LYS 15 HE2 LYS 15 -3.970 13.004 11.582 125 2HE LYS 15 HE1 LYS 15 -3.411 14.604 12.076 126 1HZ LYS 15 HZ1 LYS 15 -4.673 15.612 10.523 127 2HZ LYS 15 HZ2 LYS 15 -5.607 14.200 10.669 128 3HZ LYS 15 HZ3 LYS 15 -4.499 14.360 9.391 129 H GLN 16 HN GLN 16 0.345 9.484 12.186 130 HA GLN 16 HA GLN 16 -1.093 8.268 14.314 131 1HB GLN 16 HB2 GLN 16 -0.625 7.193 12.105 132 2HB GLN 16 HB1 GLN 16 1.062 7.024 12.589 133 1HG GLN 16 HG2 GLN 16 0.384 5.659 14.526 134 2HG GLN 16 HG1 GLN 16 -1.308 5.853 14.081 135 1HE2 GLN 16 HE21 GLN 16 -0.066 3.273 14.245 136 2HE2 GLN 16 HE22 GLN 16 -0.011 2.616 12.682 137 H HIS 17 HN HIS 17 2.261 9.206 13.902 138 HA HIS 17 HA HIS 17 3.310 7.718 16.085 139 1HB HIS 17 HB2 HIS 17 4.319 10.301 14.865 140 2HB HIS 17 HB1 HIS 17 5.232 9.248 15.938 141 HD1 HIS 17 HD1 HIS 17 3.796 6.658 14.450 142 HD2 HIS 17 HD2 HIS 17 6.222 9.601 12.764 143 HE1 HIS 17 HE1 HIS 17 4.792 5.650 12.351 144 HE2 HIS 17 HE2 HIS 17 6.273 7.432 11.312 145 H ILE 18 HN ILE 18 2.357 11.150 15.820 146 HA ILE 18 HA ILE 18 2.683 11.643 18.632 147 HB ILE 18 HB ILE 18 1.723 13.834 18.149 148 1HG1 ILE 18 HG12 ILE 18 1.015 12.549 15.502 149 2HG1 ILE 18 HG11 ILE 18 -0.091 13.285 16.650 150 1HG2 ILE 18 HG21 ILE 18 3.492 13.081 15.802 151 2HG2 ILE 18 HG22 ILE 18 4.113 13.177 17.449 152 3HG2 ILE 18 HG23 ILE 18 3.438 14.609 16.681 153 1HD1 ILE 18 HD11 ILE 18 0.121 14.919 14.968 154 2HD1 ILE 18 HD12 ILE 18 1.855 14.651 14.801 155 3HD1 ILE 18 HD13 ILE 18 1.225 15.475 16.229 156 H GLU 19 HN GLU 19 -0.120 11.171 16.495 157 HA GLU 19 HA GLU 19 -2.079 11.463 18.538 158 1HB GLU 19 HB2 GLU 19 -2.482 11.613 16.038 159 2HB GLU 19 HB1 GLU 19 -2.371 9.858 15.983 160 1HG GLU 19 HG2 GLU 19 -4.324 11.301 17.806 161 2HG GLU 19 HG1 GLU 19 -4.736 10.837 16.159 162 H MET 20 HN MET 20 -0.652 8.588 16.998 163 HA MET 20 HA MET 20 -1.813 6.872 19.085 164 1HB MET 20 HB2 MET 20 -1.466 6.504 16.352 165 2HB MET 20 HB1 MET 20 -0.139 5.565 17.007 166 1HG MET 20 HG2 MET 20 -2.003 4.065 16.870 167 2HG MET 20 HG1 MET 20 -1.865 4.494 18.576 168 1HE MET 20 HE1 MET 20 -3.439 5.956 15.218 169 2HE MET 20 HE2 MET 20 -5.126 5.612 15.582 170 3HE MET 20 HE3 MET 20 -3.965 4.292 15.511 171 H ASN 21 HN ASN 21 0.057 4.862 19.106 172 HA ASN 21 HA ASN 21 2.635 5.974 19.897 173 1HB ASN 21 HB2 ASN 21 1.149 6.297 21.886 174 2HB ASN 21 HB1 ASN 21 0.887 4.553 21.922 175 1HD2 ASN 21 HD21 ASN 21 2.043 4.115 23.887 176 2HD2 ASN 21 HD22 ASN 21 3.714 4.369 24.037 177 H GLN 22 HN GLN 22 1.988 4.195 17.839 178 HA GLN 22 HA GLN 22 2.068 1.478 18.471 179 1HB GLN 22 HB2 GLN 22 1.681 2.458 16.182 180 2HB GLN 22 HB1 GLN 22 3.409 2.775 16.083 181 1HG GLN 22 HG2 GLN 22 2.980 0.681 14.954 182 2HG GLN 22 HG1 GLN 22 3.808 0.305 16.459 183 1HE2 GLN 22 HE21 GLN 22 2.874 -1.761 16.900 184 2HE2 GLN 22 HE22 GLN 22 1.209 -1.994 17.130 185 H SER 23 HN SER 23 4.782 3.639 17.668 186 HA SER 23 HA SER 23 6.519 2.556 19.625 187 1HB SER 23 HB2 SER 23 8.128 1.442 18.034 188 2HB SER 23 HB1 SER 23 6.618 0.569 18.254 189 HG SER 23 HG SER 23 7.350 0.878 16.026 190 H GLU 24 HN GLU 24 6.351 5.010 19.603 191 HA GLU 24 HA GLU 24 8.775 6.060 18.492 192 1HB GLU 24 HB2 GLU 24 6.969 6.104 16.577 193 2HB GLU 24 HB1 GLU 24 6.304 7.471 17.458 194 1HG GLU 24 HG2 GLU 24 7.823 8.421 15.863 195 2HG GLU 24 HG1 GLU 24 8.674 8.477 17.406 196 H ASP 25 HN ASP 25 7.189 8.759 18.486 197 HA ASP 25 HA ASP 25 6.620 9.128 21.330 198 1HB ASP 25 HB2 ASP 25 9.000 10.440 19.978 199 2HB ASP 25 HB1 ASP 25 8.365 10.896 21.563 200 H LYS 26 HN LYS 26 6.818 11.844 21.440 201 HA LYS 26 HA LYS 26 4.593 12.634 19.721 202 1HB LYS 26 HB2 LYS 26 4.688 13.157 22.167 203 2HB LYS 26 HB1 LYS 26 6.035 14.236 21.839 204 1HG LYS 26 HG2 LYS 26 4.635 15.613 20.380 205 2HG LYS 26 HG1 LYS 26 3.308 14.464 20.524 206 1HD LYS 26 HD2 LYS 26 2.956 16.409 22.005 207 2HD LYS 26 HD1 LYS 26 3.134 14.925 22.936 208 1HE LYS 26 HE2 LYS 26 4.437 17.025 23.748 209 2HE LYS 26 HE1 LYS 26 5.322 15.507 23.664 210 1HZ LYS 26 HZ1 LYS 26 5.305 17.649 21.607 211 2HZ LYS 26 HZ2 LYS 26 6.120 16.166 21.461 212 3HZ LYS 26 HZ3 LYS 26 6.585 17.280 22.657 213 H ILE 27 HN ILE 27 6.763 15.160 20.585 214 HA ILE 27 HA ILE 27 7.032 16.034 17.908 215 HB ILE 27 HB ILE 27 8.365 16.808 20.500 216 1HG1 ILE 27 HG12 ILE 27 5.949 17.523 19.741 217 2HG1 ILE 27 HG11 ILE 27 7.018 18.749 20.406 218 1HG2 ILE 27 HG21 ILE 27 9.145 17.727 17.721 219 2HG2 ILE 27 HG22 ILE 27 10.191 17.216 19.046 220 3HG2 ILE 27 HG23 ILE 27 9.375 18.778 19.120 221 1HD1 ILE 27 HD11 ILE 27 7.448 19.700 18.293 222 2HD1 ILE 27 HD12 ILE 27 5.729 19.324 18.236 223 3HD1 ILE 27 HD13 ILE 27 6.885 18.273 17.435 224 H HIS 28 HN HIS 28 9.144 14.149 20.017 225 HA HIS 28 HA HIS 28 11.397 14.171 18.306 226 1HB HIS 28 HB2 HIS 28 10.512 12.207 20.427 227 2HB HIS 28 HB1 HIS 28 12.078 12.146 19.624 228 HD1 HIS 28 HD1 HIS 28 13.724 14.156 20.074 229 HD2 HIS 28 HD2 HIS 28 10.259 14.217 22.391 230 HE1 HIS 28 HE1 HIS 28 14.142 15.813 21.942 231 HE2 HIS 28 HE2 HIS 28 12.039 15.863 23.364 232 H ALA 29 HN ALA 29 8.482 13.214 17.438 233 HA ALA 29 HA ALA 29 8.955 10.609 16.303 234 1HB ALA 29 HB1 ALA 29 6.802 11.006 15.156 235 2HB ALA 29 HB2 ALA 29 6.806 12.666 15.753 236 3HB ALA 29 HB3 ALA 29 6.699 11.320 16.885 237 H MET 30 HN MET 30 8.741 13.919 14.996 238 HA MET 30 HA MET 30 9.239 13.256 12.315 239 1HB MET 30 HB2 MET 30 9.814 15.612 12.035 240 2HB MET 30 HB1 MET 30 8.388 15.452 13.053 241 1HG MET 30 HG2 MET 30 9.603 16.963 14.349 242 2HG MET 30 HG1 MET 30 10.234 15.466 15.010 243 1HE MET 30 HE1 MET 30 12.134 17.231 15.895 244 2HE MET 30 HE2 MET 30 11.350 18.484 14.952 245 3HE MET 30 HE3 MET 30 13.085 18.234 14.796 246 H ASN 31 HN ASN 31 11.460 14.140 14.963 247 HA ASN 31 HA ASN 31 13.834 14.293 13.529 248 1HB ASN 31 HB2 ASN 31 13.240 13.293 16.324 249 2HB ASN 31 HB1 ASN 31 14.890 13.381 15.712 250 1HD2 ASN 31 HD21 ASN 31 14.730 15.801 14.221 251 2HD2 ASN 31 HD22 ASN 31 14.449 17.079 15.301 252 H SER 32 HN SER 32 12.291 11.385 14.918 253 HA SER 32 HA SER 32 14.301 9.583 13.962 254 1HB SER 32 HB2 SER 32 12.655 7.837 14.528 255 2HB SER 32 HB1 SER 32 12.819 9.014 15.830 256 HG SER 32 HG SER 32 10.920 9.945 15.220 257 H TYR 33 HN TYR 33 10.947 10.192 12.877 258 HA TYR 33 HA TYR 33 11.012 8.579 10.587 259 1HB TYR 33 HB2 TYR 33 8.944 9.535 11.560 260 2HB TYR 33 HB1 TYR 33 9.451 11.139 11.031 261 HD1 TYR 33 HD1 TYR 33 9.689 11.654 8.613 262 HD2 TYR 33 HD2 TYR 33 8.042 7.936 9.986 263 HE1 TYR 33 HE1 TYR 33 8.758 11.225 6.351 264 HE2 TYR 33 HE2 TYR 33 7.104 7.512 7.727 265 HH TYR 33 HH TYR 33 6.903 8.260 5.647 266 H TYR 34 HN TYR 34 11.613 12.076 10.922 267 HA TYR 34 HA TYR 34 12.172 12.657 8.235 268 1HB TYR 34 HB2 TYR 34 11.825 14.362 10.039 269 2HB TYR 34 HB1 TYR 34 13.420 13.963 10.676 270 HD1 TYR 34 HD1 TYR 34 11.601 15.246 7.709 271 HD2 TYR 34 HD2 TYR 34 15.409 14.877 9.660 272 HE1 TYR 34 HE1 TYR 34 12.609 16.778 6.035 273 HE2 TYR 34 HE2 TYR 34 16.415 16.414 7.993 274 HH TYR 34 HH TYR 34 16.053 17.704 6.230 275 H ARG 35 HN ARG 35 14.390 11.763 10.885 276 HA ARG 35 HA ARG 35 16.735 11.788 9.287 277 1HB ARG 35 HB2 ARG 35 16.743 11.923 11.773 278 2HB ARG 35 HB1 ARG 35 16.228 10.237 11.839 279 1HG ARG 35 HG2 ARG 35 18.263 9.536 10.662 280 2HG ARG 35 HG1 ARG 35 18.767 11.217 10.494 281 1HD ARG 35 HD2 ARG 35 19.950 10.253 12.369 282 2HD ARG 35 HD1 ARG 35 18.767 11.399 12.994 283 HE ARG 35 HE ARG 35 17.612 8.813 12.888 284 1HH1 ARG 35 HH21 ARG 35 19.990 10.687 14.563 285 2HH1 ARG 35 HH22 ARG 35 19.849 9.799 16.043 286 1HH2 ARG 35 HH11 ARG 35 17.422 7.642 14.825 287 2HH2 ARG 35 HH12 ARG 35 18.396 8.074 16.191 288 H SER 36 HN SER 36 14.360 9.317 10.084 289 HA SER 36 HA SER 36 15.772 7.077 9.112 290 1HB SER 36 HB2 SER 36 13.828 6.707 10.461 291 2HB SER 36 HB1 SER 36 12.819 7.649 9.368 292 HG SER 36 HG SER 36 12.690 5.320 9.115 293 H VAL 37 HN VAL 37 13.496 9.297 7.533 294 HA VAL 37 HA VAL 37 13.582 7.954 5.002 295 HB VAL 37 HB VAL 37 12.697 10.739 5.798 296 1HG1 VAL 37 HG11 VAL 37 12.574 9.330 3.112 297 2HG1 VAL 37 HG12 VAL 37 13.251 10.915 3.476 298 3HG1 VAL 37 HG13 VAL 37 11.515 10.680 3.526 299 1HG2 VAL 37 HG21 VAL 37 11.318 8.955 6.715 300 2HG2 VAL 37 HG22 VAL 37 11.200 8.186 5.132 301 3HG2 VAL 37 HG23 VAL 37 10.444 9.750 5.411 302 H VAL 38 HN VAL 38 15.048 10.979 6.198 303 HA VAL 38 HA VAL 38 16.447 11.721 3.925 304 HB VAL 38 HB VAL 38 17.359 11.945 6.802 305 1HG1 VAL 38 HG11 VAL 38 18.627 13.959 5.910 306 2HG1 VAL 38 HG12 VAL 38 18.285 13.365 4.287 307 3HG1 VAL 38 HG13 VAL 38 19.252 12.394 5.398 308 1HG2 VAL 38 HG21 VAL 38 15.941 13.735 7.073 309 2HG2 VAL 38 HG22 VAL 38 15.039 13.034 5.739 310 3HG2 VAL 38 HG23 VAL 38 16.184 14.332 5.443 311 H SER 39 HN SER 39 17.567 9.567 6.548 312 HA SER 39 HA SER 39 20.085 9.000 5.453 313 1HB SER 39 HB2 SER 39 20.032 7.006 6.896 314 2HB SER 39 HB1 SER 39 19.476 8.438 7.758 315 HG SER 39 HG SER 39 18.071 6.198 6.876 316 H THR 40 HN THR 40 16.916 7.499 4.969 317 HA THR 40 HA THR 40 17.828 5.318 3.410 318 HB THR 40 HB THR 40 15.118 6.672 3.426 319 HG1 THR 40 HG1 THR 40 16.393 4.730 4.968 320 1HG2 THR 40 HG21 THR 40 14.378 4.380 2.609 321 2HG2 THR 40 HG22 THR 40 16.076 4.033 2.286 322 3HG2 THR 40 HG23 THR 40 15.264 5.345 1.429 323 H LEU 41 HN LEU 41 16.496 8.488 2.511 324 HA LEU 41 HA LEU 41 16.552 8.177 -0.267 325 1HB LEU 41 HB2 LEU 41 16.919 10.640 1.441 326 2HB LEU 41 HB1 LEU 41 16.696 10.696 -0.309 327 HG LEU 41 HG LEU 41 14.760 9.426 1.646 328 1HD1 LEU 41 HD11 LEU 41 14.842 11.811 1.996 329 2HD1 LEU 41 HD12 LEU 41 13.343 11.423 1.153 330 3HD1 LEU 41 HD13 LEU 41 14.699 12.118 0.270 331 1HD2 LEU 41 HD21 LEU 41 14.815 9.646 -1.352 332 2HD2 LEU 41 HD22 LEU 41 13.261 9.835 -0.547 333 3HD2 LEU 41 HD23 LEU 41 14.181 8.359 -0.327 334 H VAL 42 HN VAL 42 19.105 8.996 1.986 335 HA VAL 42 HA VAL 42 21.008 9.556 -0.167 336 HB VAL 42 HB VAL 42 21.360 9.431 2.839 337 1HG1 VAL 42 HG11 VAL 42 23.226 10.285 0.601 338 2HG1 VAL 42 HG12 VAL 42 23.499 8.990 1.765 339 3HG1 VAL 42 HG13 VAL 42 23.500 10.667 2.298 340 1HG2 VAL 42 HG21 VAL 42 21.404 11.893 2.632 341 2HG2 VAL 42 HG22 VAL 42 19.884 11.248 2.014 342 3HG2 VAL 42 HG23 VAL 42 21.141 11.756 0.891 343 H GLN 43 HN GLN 43 20.312 7.033 2.206 344 HA GLN 43 HA GLN 43 22.575 5.443 1.914 345 1HB GLN 43 HB2 GLN 43 20.797 5.018 3.585 346 2HB GLN 43 HB1 GLN 43 19.725 4.487 2.293 347 1HG GLN 43 HG2 GLN 43 21.123 2.596 1.799 348 2HG GLN 43 HG1 GLN 43 22.412 3.203 2.839 349 1HE2 GLN 43 HE21 GLN 43 21.273 0.600 3.209 350 2HE2 GLN 43 HE22 GLN 43 20.431 0.591 4.683 351 H ASP 44 HN ASP 44 20.276 6.238 -0.437 352 HA ASP 44 HA ASP 44 21.568 4.733 -2.467 353 1HB ASP 44 HB2 ASP 44 19.158 3.533 -1.146 354 2HB ASP 44 HB1 ASP 44 19.240 3.396 -2.899 355 H GLN 45 HN GLN 45 19.759 4.574 -4.418 356 HA GLN 45 HA GLN 45 18.658 5.819 -5.991 357 1HB GLN 45 HB2 GLN 45 16.984 5.772 -4.020 358 2HB GLN 45 HB1 GLN 45 17.488 7.431 -3.713 359 1HG GLN 45 HG2 GLN 45 15.594 7.627 -5.141 360 2HG GLN 45 HG1 GLN 45 16.977 7.877 -6.199 361 1HE2 GLN 45 HE21 GLN 45 14.826 5.219 -5.061 362 2HE2 GLN 45 HE22 GLN 45 14.883 4.355 -6.520 363 H LEU 46 HN LEU 46 21.291 6.673 -5.132 364 HA LEU 46 HA LEU 46 21.276 9.571 -5.043 365 1HB LEU 46 HB2 LEU 46 23.489 7.543 -5.350 366 2HB LEU 46 HB1 LEU 46 23.756 9.276 -5.169 367 HG LEU 46 HG LEU 46 22.081 7.782 -3.129 368 1HD1 LEU 46 HD11 LEU 46 25.110 8.012 -3.130 369 2HD1 LEU 46 HD12 LEU 46 24.178 6.519 -3.249 370 3HD1 LEU 46 HD13 LEU 46 24.137 7.469 -1.763 371 1HD2 LEU 46 HD21 LEU 46 22.929 9.548 -1.622 372 2HD2 LEU 46 HD22 LEU 46 22.126 10.262 -3.011 373 3HD2 LEU 46 HD23 LEU 46 23.887 10.224 -2.934 374 H THR 47 HN THR 47 19.886 8.695 -7.273 375 HA THR 47 HA THR 47 21.435 8.514 -9.620 376 HB THR 47 HB THR 47 19.137 7.813 -9.662 377 HG1 THR 47 HG1 THR 47 18.382 9.506 -11.296 378 1HG2 THR 47 HG21 THR 47 18.260 9.273 -7.905 379 2HG2 THR 47 HG22 THR 47 17.300 9.457 -9.371 380 3HG2 THR 47 HG23 THR 47 18.489 10.684 -8.937 381 H LYS 48 HN LYS 48 20.348 11.202 -7.703 382 HA LYS 48 HA LYS 48 22.156 13.005 -9.005 383 1HB LYS 48 HB2 LYS 48 20.293 12.914 -10.669 384 2HB LYS 48 HB1 LYS 48 19.213 13.517 -9.421 385 1HG LYS 48 HG2 LYS 48 20.543 15.545 -9.195 386 2HG LYS 48 HG1 LYS 48 21.701 14.947 -10.373 387 1HD LYS 48 HD2 LYS 48 19.923 14.917 -12.082 388 2HD LYS 48 HD1 LYS 48 18.775 15.533 -10.889 389 1HE LYS 48 HE2 LYS 48 20.165 17.542 -10.582 390 2HE LYS 48 HE1 LYS 48 21.309 16.935 -11.774 391 1HZ LYS 48 HZ1 LYS 48 18.527 17.837 -12.188 392 2HZ LYS 48 HZ2 LYS 48 19.281 16.800 -13.302 393 3HZ LYS 48 HZ3 LYS 48 19.934 18.336 -12.993 394 H ASN 49 HN ASN 49 22.729 14.530 -7.578 395 HA ASN 49 HA ASN 49 21.932 14.583 -4.947 396 1HB ASN 49 HB2 ASN 49 22.792 17.047 -5.016 397 2HB ASN 49 HB1 ASN 49 23.918 15.746 -5.399 398 1HD2 ASN 49 HD21 ASN 49 21.470 17.715 -7.207 399 2HD2 ASN 49 HD22 ASN 49 22.465 17.936 -8.564 400 H ALA 50 HN ALA 50 20.564 16.370 -7.663 401 HA ALA 50 HA ALA 50 18.806 18.000 -6.136 402 1HB ALA 50 HB1 ALA 50 19.435 18.452 -8.493 403 2HB ALA 50 HB2 ALA 50 17.691 18.462 -8.227 404 3HB ALA 50 HB3 ALA 50 18.459 17.067 -8.984 405 H VAL 51 HN VAL 51 18.295 14.941 -7.903 406 HA VAL 51 HA VAL 51 15.574 14.573 -7.395 407 HB VAL 51 HB VAL 51 17.840 12.605 -7.685 408 1HG1 VAL 51 HG11 VAL 51 16.315 11.306 -6.395 409 2HG1 VAL 51 HG12 VAL 51 15.926 10.881 -8.058 410 3HG1 VAL 51 HG13 VAL 51 14.905 12.018 -7.180 411 1HG2 VAL 51 HG21 VAL 51 17.020 12.322 -9.914 412 2HG2 VAL 51 HG22 VAL 51 16.956 14.063 -9.630 413 3HG2 VAL 51 HG23 VAL 51 15.484 13.100 -9.532 414 H VAL 52 HN VAL 52 18.337 13.655 -5.346 415 HA VAL 52 HA VAL 52 16.613 12.621 -3.282 416 HB VAL 52 HB VAL 52 18.729 12.406 -1.952 417 1HG1 VAL 52 HG11 VAL 52 18.007 10.652 -3.571 418 2HG1 VAL 52 HG12 VAL 52 19.764 10.751 -3.452 419 3HG1 VAL 52 HG13 VAL 52 18.931 11.465 -4.834 420 1HG2 VAL 52 HG21 VAL 52 19.885 13.755 -4.398 421 2HG2 VAL 52 HG22 VAL 52 20.868 12.903 -3.220 422 3HG2 VAL 52 HG23 VAL 52 19.973 14.343 -2.747 423 H LEU 53 HN LEU 53 18.534 15.535 -3.755 424 HA LEU 53 HA LEU 53 18.044 16.672 -1.216 425 1HB LEU 53 HB2 LEU 53 19.829 17.435 -2.644 426 2HB LEU 53 HB1 LEU 53 18.672 17.986 -3.841 427 HG LEU 53 HG LEU 53 18.201 19.125 -1.125 428 1HD1 LEU 53 HD11 LEU 53 20.056 20.766 -1.294 429 2HD1 LEU 53 HD12 LEU 53 20.716 19.861 -2.656 430 3HD1 LEU 53 HD13 LEU 53 20.641 19.120 -1.057 431 1HD2 LEU 53 HD21 LEU 53 17.035 19.884 -3.225 432 2HD2 LEU 53 HD22 LEU 53 18.579 20.472 -3.826 433 3HD2 LEU 53 HD23 LEU 53 17.867 21.192 -2.385 434 H LYS 54 HN LYS 54 16.345 16.973 -4.298 435 HA LYS 54 HA LYS 54 14.521 18.973 -3.677 436 1HB LYS 54 HB2 LYS 54 14.349 16.506 -5.401 437 2HB LYS 54 HB1 LYS 54 12.997 17.632 -5.294 438 1HG LYS 54 HG2 LYS 54 14.215 19.400 -6.296 439 2HG LYS 54 HG1 LYS 54 15.773 18.654 -5.968 440 1HD LYS 54 HD2 LYS 54 15.221 18.438 -8.348 441 2HD LYS 54 HD1 LYS 54 15.231 16.852 -7.585 442 1HE LYS 54 HE2 LYS 54 12.836 16.780 -7.505 443 2HE LYS 54 HE1 LYS 54 12.706 18.483 -7.949 444 1HZ LYS 54 HZ1 LYS 54 13.859 16.360 -9.671 445 2HZ LYS 54 HZ2 LYS 54 13.629 17.989 -10.096 446 3HZ LYS 54 HZ3 LYS 54 12.288 16.982 -9.820 447 H ARG 55 HN ARG 55 14.409 15.512 -2.926 448 HA ARG 55 HA ARG 55 11.809 15.541 -1.796 449 1HB ARG 55 HB2 ARG 55 14.152 13.670 -1.414 450 2HB ARG 55 HB1 ARG 55 12.546 13.372 -0.747 451 1HG ARG 55 HG2 ARG 55 11.625 13.547 -3.086 452 2HG ARG 55 HG1 ARG 55 13.278 13.658 -3.677 453 1HD ARG 55 HD2 ARG 55 12.750 11.362 -3.903 454 2HD ARG 55 HD1 ARG 55 13.668 11.431 -2.402 455 HE ARG 55 HE ARG 55 11.052 11.743 -1.608 456 1HH1 ARG 55 HH21 ARG 55 12.840 9.447 -3.479 457 2HH1 ARG 55 HH22 ARG 55 11.836 8.104 -3.046 458 1HH2 ARG 55 HH11 ARG 55 9.722 9.990 -1.046 459 2HH2 ARG 55 HH12 ARG 55 10.070 8.411 -1.668 460 H ILE 56 HN ILE 56 15.044 16.137 -0.523 461 HA ILE 56 HA ILE 56 14.358 16.091 2.231 462 HB ILE 56 HB ILE 56 16.559 17.685 0.899 463 1HG1 ILE 56 HG12 ILE 56 16.731 15.375 0.261 464 2HG1 ILE 56 HG11 ILE 56 17.982 15.719 1.419 465 1HG2 ILE 56 HG21 ILE 56 17.688 17.387 3.087 466 2HG2 ILE 56 HG22 ILE 56 16.198 16.689 3.722 467 3HG2 ILE 56 HG23 ILE 56 16.228 18.369 3.187 468 1HD1 ILE 56 HD11 ILE 56 17.162 13.662 2.155 469 2HD1 ILE 56 HD12 ILE 56 15.504 14.054 1.712 470 3HD1 ILE 56 HD13 ILE 56 16.223 14.778 3.143 471 H GLN 57 HN GLN 57 14.715 18.819 -0.042 472 HA GLN 57 HA GLN 57 13.995 20.863 1.724 473 1HB GLN 57 HB2 GLN 57 13.486 20.666 -1.253 474 2HB GLN 57 HB1 GLN 57 13.454 22.151 -0.301 475 1HG GLN 57 HG2 GLN 57 15.867 20.330 -0.526 476 2HG GLN 57 HG1 GLN 57 15.629 21.781 -1.497 477 1HE2 GLN 57 HE21 GLN 57 17.473 20.908 0.978 478 2HE2 GLN 57 HE22 GLN 57 17.417 22.299 1.948 479 H HIS 58 HN HIS 58 12.017 18.733 -0.289 480 HA HIS 58 HA HIS 58 9.541 20.041 0.350 481 1HB HIS 58 HB2 HIS 58 8.781 18.717 -1.356 482 2HB HIS 58 HB1 HIS 58 10.391 18.023 -1.477 483 HD1 HIS 58 HD1 HIS 58 10.788 15.705 -0.335 484 HD2 HIS 58 HD2 HIS 58 6.878 17.093 0.023 485 HE1 HIS 58 HE1 HIS 58 9.417 13.759 0.527 486 HE2 HIS 58 HE2 HIS 58 7.031 14.588 0.754 487 H LEU 59 HN LEU 59 11.189 17.104 1.495 488 HA LEU 59 HA LEU 59 9.216 16.165 3.219 489 1HB LEU 59 HB2 LEU 59 11.328 14.958 2.588 490 2HB LEU 59 HB1 LEU 59 12.194 15.994 3.715 491 HG LEU 59 HG LEU 59 10.660 15.182 5.533 492 1HD1 LEU 59 HD11 LEU 59 9.590 12.838 4.875 493 2HD1 LEU 59 HD12 LEU 59 9.526 13.560 3.272 494 3HD1 LEU 59 HD13 LEU 59 8.703 14.336 4.624 495 1HD2 LEU 59 HD21 LEU 59 12.900 14.233 5.225 496 2HD2 LEU 59 HD22 LEU 59 12.260 13.054 4.078 497 3HD2 LEU 59 HD23 LEU 59 11.773 12.994 5.775 498 H ASP 60 HN ASP 60 11.360 18.857 3.539 499 HA ASP 60 HA ASP 60 11.387 19.167 6.327 500 1HB ASP 60 HB2 ASP 60 11.445 21.244 4.132 501 2HB ASP 60 HB1 ASP 60 11.793 21.581 5.822 502 H GLU 61 HN GLU 61 8.976 20.024 3.900 503 HA GLU 61 HA GLU 61 7.350 21.682 5.494 504 1HB GLU 61 HB2 GLU 61 5.789 21.561 3.759 505 2HB GLU 61 HB1 GLU 61 7.281 21.154 2.920 506 1HG GLU 61 HG2 GLU 61 6.639 18.665 3.401 507 2HG GLU 61 HG1 GLU 61 5.046 19.285 3.797 508 H ALA 62 HN ALA 62 7.635 18.205 5.231 509 HA ALA 62 HA ALA 62 5.214 17.585 6.579 510 1HB ALA 62 HB1 ALA 62 6.099 15.330 6.709 511 2HB ALA 62 HB2 ALA 62 7.721 15.908 6.350 512 3HB ALA 62 HB3 ALA 62 6.461 15.995 5.120 513 H TYR 63 HN TYR 63 8.607 17.533 7.650 514 HA TYR 63 HA TYR 63 8.182 16.893 10.305 515 1HB TYR 63 HB2 TYR 63 10.459 17.009 10.195 516 2HB TYR 63 HB1 TYR 63 10.362 17.919 8.694 517 HD1 TYR 63 HD1 TYR 63 10.129 18.297 12.407 518 HD2 TYR 63 HD2 TYR 63 10.956 20.242 8.671 519 HE1 TYR 63 HE1 TYR 63 10.824 20.344 13.624 520 HE2 TYR 63 HE2 TYR 63 11.646 22.289 9.887 521 HH TYR 63 HH TYR 63 12.482 22.416 12.964 522 H ASN 64 HN ASN 64 8.244 20.100 8.763 523 HA ASN 64 HA ASN 64 7.846 21.627 11.093 524 1HB ASN 64 HB2 ASN 64 8.622 22.591 8.959 525 2HB ASN 64 HB1 ASN 64 7.045 22.268 8.240 526 1HD2 ASN 64 HD21 ASN 64 6.657 24.599 7.923 527 2HD2 ASN 64 HD22 ASN 64 6.296 25.605 9.242 528 H LYS 65 HN LYS 65 5.640 19.994 8.914 529 HA LYS 65 HA LYS 65 3.263 21.200 9.803 530 1HB LYS 65 HB2 LYS 65 3.657 19.656 7.756 531 2HB LYS 65 HB1 LYS 65 3.433 18.327 8.880 532 1HG LYS 65 HG2 LYS 65 1.227 18.636 8.156 533 2HG LYS 65 HG1 LYS 65 1.229 19.692 9.556 534 1HD LYS 65 HD2 LYS 65 1.712 21.622 8.073 535 2HD LYS 65 HD1 LYS 65 1.702 20.543 6.680 536 1HE LYS 65 HE2 LYS 65 -0.476 21.586 6.833 537 2HE LYS 65 HE1 LYS 65 -0.654 19.893 7.298 538 1HZ LYS 65 HZ1 LYS 65 -0.943 20.423 9.481 539 2HZ LYS 65 HZ2 LYS 65 -1.629 21.805 8.768 540 3HZ LYS 65 HZ3 LYS 65 -0.045 21.859 9.381 541 H VAL 66 HN VAL 66 5.110 18.433 10.973 542 HA VAL 66 HA VAL 66 3.222 17.382 12.747 543 HB VAL 66 HB VAL 66 6.250 17.459 13.025 544 1HG1 VAL 66 HG11 VAL 66 5.853 15.396 14.438 545 2HG1 VAL 66 HG12 VAL 66 4.146 15.837 14.471 546 3HG1 VAL 66 HG13 VAL 66 5.349 16.913 15.179 547 1HG2 VAL 66 HG21 VAL 66 5.604 16.374 10.974 548 2HG2 VAL 66 HG22 VAL 66 4.338 15.458 11.793 549 3HG2 VAL 66 HG23 VAL 66 6.037 15.120 12.136 550 H LYS 67 HN LYS 67 5.831 19.717 13.399 551 HA LYS 67 HA LYS 67 5.082 20.223 16.075 552 1HB LYS 67 HB2 LYS 67 6.510 22.067 14.156 553 2HB LYS 67 HB1 LYS 67 6.537 22.140 15.914 554 1HG LYS 67 HG2 LYS 67 7.369 19.579 15.623 555 2HG LYS 67 HG1 LYS 67 7.911 20.191 14.074 556 1HD LYS 67 HD2 LYS 67 8.628 21.296 16.790 557 2HD LYS 67 HD1 LYS 67 9.679 20.329 15.749 558 1HE LYS 67 HE2 LYS 67 9.312 22.166 13.962 559 2HE LYS 67 HE1 LYS 67 8.651 23.142 15.272 560 1HZ LYS 67 HZ1 LYS 67 11.107 23.378 14.758 561 2HZ LYS 67 HZ2 LYS 67 11.303 21.855 15.486 562 3HZ LYS 67 HZ3 LYS 67 10.680 23.155 16.384 563 H ARG 68 HN ARG 68 4.362 21.897 13.047 564 HA ARG 68 HA ARG 68 3.021 24.117 14.010 565 1HB ARG 68 HB2 ARG 68 3.641 23.677 11.619 566 2HB ARG 68 HB1 ARG 68 2.294 22.543 11.529 567 1HG ARG 68 HG2 ARG 68 0.710 24.313 12.069 568 2HG ARG 68 HG1 ARG 68 2.029 25.458 12.292 569 1HD ARG 68 HD2 ARG 68 2.687 25.052 9.896 570 2HD ARG 68 HD1 ARG 68 1.219 24.093 9.715 571 HE ARG 68 HE ARG 68 0.460 26.582 10.758 572 1HH1 ARG 68 HH21 ARG 68 1.923 25.237 7.925 573 2HH1 ARG 68 HH22 ARG 68 1.330 26.472 6.865 574 1HH2 ARG 68 HH11 ARG 68 -0.319 28.206 9.374 575 2HH2 ARG 68 HH12 ARG 68 0.061 28.153 7.685 576 H GLY 69 HN GLY 69 2.010 20.797 13.799 577 1HA GLY 69 HA2 GLY 69 -0.798 21.358 14.310 578 2HA GLY 69 HA1 GLY 69 -0.032 19.781 14.151 579 H GLU 70 HN GLU 70 2.073 20.943 16.120 580 HA GLU 70 HA GLU 70 0.660 20.031 18.548 581 1HB GLU 70 HB2 GLU 70 3.591 20.479 17.929 582 2HB GLU 70 HB1 GLU 70 2.977 19.961 19.498 583 1HG GLU 70 HG2 GLU 70 2.369 18.468 16.932 584 2HG GLU 70 HG1 GLU 70 3.746 18.080 17.945 585 H SER 71 HN SER 71 1.495 21.175 20.599 586 HA SER 71 HA SER 71 2.002 24.020 20.341 587 1HB SER 71 HB2 SER 71 -0.039 24.772 21.365 588 2HB SER 71 HB1 SER 71 -0.482 23.770 19.986 589 HG SER 71 HG SER 71 -0.179 22.674 22.567 590 H LYS 72 HN LYS 72 2.183 25.054 22.463 591 HA LYS 72 HA LYS 72 2.387 23.371 24.806 592 1HB LYS 72 HB2 LYS 72 4.799 23.808 25.153 593 2HB LYS 72 HB1 LYS 72 4.507 22.806 23.731 594 1HG LYS 72 HG2 LYS 72 4.630 24.872 22.317 595 2HG LYS 72 HG1 LYS 72 5.069 25.790 23.757 596 1HD LYS 72 HD2 LYS 72 7.053 24.381 24.077 597 2HD LYS 72 HD1 LYS 72 6.611 23.423 22.662 598 1HE LYS 72 HE2 LYS 72 8.299 25.099 22.052 599 2HE LYS 72 HE1 LYS 72 6.768 25.456 21.252 600 1HZ LYS 72 HZ1 LYS 72 6.579 27.366 22.346 601 2HZ LYS 72 HZ2 LYS 72 8.206 27.177 22.796 602 3HZ LYS 72 HZ3 LYS 72 6.967 26.662 23.840 603 H LEU 73 HN LEU 73 2.416 26.399 23.180 604 HA LEU 73 HA LEU 73 1.526 27.783 25.476 605 1HB LEU 73 HB2 LEU 73 4.383 27.613 25.166 606 2HB LEU 73 HB1 LEU 73 3.931 29.281 24.859 607 HG LEU 73 HG LEU 73 3.027 27.738 27.314 608 1HD1 LEU 73 HD11 LEU 73 5.455 27.869 27.370 609 2HD1 LEU 73 HD12 LEU 73 4.812 29.057 28.504 610 3HD1 LEU 73 HD13 LEU 73 5.415 29.576 26.929 611 1HD2 LEU 73 HD21 LEU 73 1.620 29.671 26.858 612 2HD2 LEU 73 HD22 LEU 73 3.028 30.688 26.571 613 3HD2 LEU 73 HD23 LEU 73 2.689 30.090 28.194 614 H GLU 74 HN GLU 74 1.081 30.054 25.050 615 HA GLU 74 HA GLU 74 0.921 30.729 22.156 616 1HB GLU 74 HB2 GLU 74 -1.214 31.014 24.283 617 2HB GLU 74 HB1 GLU 74 -1.310 31.732 22.674 618 1HG GLU 74 HG2 GLU 74 -1.159 29.514 21.645 619 2HG GLU 74 HG1 GLU 74 -0.982 28.769 23.231 620 H HIS 75 HN HIS 75 1.284 31.794 25.486 621 HA HIS 75 HA HIS 75 1.229 34.583 25.013 622 1HB HIS 75 HB2 HIS 75 2.613 32.978 27.184 623 2HB HIS 75 HB1 HIS 75 2.456 34.735 27.187 624 HD1 HIS 75 HD1 HIS 75 0.359 31.590 27.341 625 HD2 HIS 75 HD2 HIS 75 -0.070 35.690 27.962 626 HE1 HIS 75 HE1 HIS 75 -1.932 31.923 28.369 627 HE2 HIS 75 HE2 HIS 75 -2.208 34.418 28.754 628 H HIS 76 HN HIS 76 3.526 35.658 25.964 629 HA HIS 76 HA HIS 76 5.784 34.640 24.392 630 1HB HIS 76 HB2 HIS 76 4.405 36.184 22.911 631 2HB HIS 76 HB1 HIS 76 4.815 37.490 24.021 632 HD1 HIS 76 HD1 HIS 76 6.982 38.668 23.546 633 HD2 HIS 76 HD2 HIS 76 6.877 34.871 21.826 634 HE1 HIS 76 HE1 HIS 76 9.116 38.431 22.203 635 HE2 HIS 76 HE2 HIS 76 9.067 36.122 21.148 636 H HIS 77 HN HIS 77 7.746 35.214 25.194 637 HA HIS 77 HA HIS 77 7.838 36.199 27.893 638 1HB HIS 77 HB2 HIS 77 10.293 35.922 27.629 639 2HB HIS 77 HB1 HIS 77 9.394 34.476 27.169 640 HD1 HIS 77 HD1 HIS 77 9.425 33.780 24.701 641 HD2 HIS 77 HD2 HIS 77 11.438 37.361 25.411 642 HE1 HIS 77 HE1 HIS 77 10.685 34.327 22.573 643 HE2 HIS 77 HE2 HIS 77 11.917 36.508 22.989 644 H HIS 78 HN HIS 78 7.950 37.647 24.797 645 HA HIS 78 HA HIS 78 8.396 39.778 24.062 646 1HB HIS 78 HB2 HIS 78 6.615 40.268 25.715 647 2HB HIS 78 HB1 HIS 78 7.848 40.467 26.960 648 HD1 HIS 78 HD1 HIS 78 6.808 41.975 23.626 649 HD2 HIS 78 HD2 HIS 78 9.017 42.996 27.011 650 HE1 HIS 78 HE1 HIS 78 7.430 44.416 23.367 651 HE2 HIS 78 HE2 HIS 78 8.777 45.054 25.422 652 H HIS 79 HN HIS 79 10.536 39.740 23.504 653 HA HIS 79 HA HIS 79 12.692 39.713 25.340 654 1HB HIS 79 HB2 HIS 79 12.868 39.050 22.940 655 2HB HIS 79 HB1 HIS 79 12.686 40.745 22.493 656 HD1 HIS 79 HD1 HIS 79 14.630 42.383 23.212 657 HD2 HIS 79 HD2 HIS 79 15.420 38.349 23.905 658 HE1 HIS 79 HE1 HIS 79 17.115 42.209 23.667 659 HE2 HIS 79 HE2 HIS 79 17.613 39.755 24.091 660 H HIS 80 HN HIS 80 13.640 41.297 26.463 661 HA HIS 80 HA HIS 80 14.001 43.366 27.389 662 1HB HIS 80 HB2 HIS 80 15.139 43.664 25.194 663 2HB HIS 80 HB1 HIS 80 13.636 44.308 24.534 664 HD1 HIS 80 HD1 HIS 80 12.781 46.603 25.534 665 HD2 HIS 80 HD2 HIS 80 16.584 45.464 26.808 666 HE1 HIS 80 HE1 HIS 80 13.827 48.653 26.592 667 HE2 HIS 80 HE2 HIS 80 16.145 47.975 27.373 668 1H MET 1 HT1 MET 1 29.568 29.454 11.111 669 2H MET 1 HT2 MET 1 30.445 28.143 10.480 670 3H MET 1 HT3 MET 1 28.845 27.923 11.011 671 HA MET 1 HA MET 1 28.568 28.026 8.737 672 1HB MET 1 HB2 MET 1 28.353 30.845 9.835 673 2HB MET 1 HB1 MET 1 27.673 30.336 8.289 674 1HG MET 1 HG2 MET 1 26.316 28.629 9.441 675 2HG MET 1 HG1 MET 1 26.985 29.137 10.989 676 1HE MET 1 HE1 MET 1 25.380 32.376 11.882 677 2HE MET 1 HE2 MET 1 27.032 31.892 11.519 678 3HE MET 1 HE3 MET 1 25.992 30.817 12.449 679 H SER 2 HN SER 2 31.468 28.942 9.783 680 HA SER 2 HA SER 2 32.478 29.475 7.106 681 1HB SER 2 HB2 SER 2 32.843 31.509 9.324 682 2HB SER 2 HB1 SER 2 33.646 31.547 7.757 683 HG SER 2 HG SER 2 30.950 31.968 8.423 684 H GLU 3 HN GLU 3 34.875 29.575 7.105 685 HA GLU 3 HA GLU 3 36.875 28.563 7.585 686 1HB GLU 3 HB2 GLU 3 36.655 30.214 9.511 687 2HB GLU 3 HB1 GLU 3 36.077 28.869 10.492 688 1HG GLU 3 HG2 GLU 3 38.198 27.642 10.012 689 2HG GLU 3 HG1 GLU 3 38.764 29.027 9.086 690 H LEU 4 HN LEU 4 35.337 26.708 6.755 691 HA LEU 4 HA LEU 4 34.655 24.623 8.573 692 1HB LEU 4 HB2 LEU 4 35.030 24.825 5.588 693 2HB LEU 4 HB1 LEU 4 34.728 23.260 6.340 694 HG LEU 4 HG LEU 4 32.664 24.390 5.534 695 1HD1 LEU 4 HD11 LEU 4 31.382 23.503 7.218 696 2HD1 LEU 4 HD12 LEU 4 32.209 24.402 8.486 697 3HD1 LEU 4 HD13 LEU 4 32.925 22.929 7.841 698 1HD2 LEU 4 HD21 LEU 4 33.059 26.403 7.758 699 2HD2 LEU 4 HD22 LEU 4 31.867 26.435 6.461 700 3HD2 LEU 4 HD23 LEU 4 33.567 26.725 6.099 701 H PHE 5 HN PHE 5 37.548 25.329 6.650 702 HA PHE 5 HA PHE 5 38.954 22.989 6.886 703 1HB PHE 5 HB2 PHE 5 40.014 25.800 7.248 704 2HB PHE 5 HB1 PHE 5 41.004 24.372 6.940 705 HD1 PHE 5 HD1 PHE 5 40.846 23.152 4.794 706 HD2 PHE 5 HD2 PHE 5 38.671 26.790 5.488 707 HE1 PHE 5 HE1 PHE 5 40.462 23.388 2.355 708 HE2 PHE 5 HE2 PHE 5 38.286 27.026 3.050 709 HZ PHE 5 HZ PHE 5 39.182 25.325 1.483 710 H SER 6 HN SER 6 38.378 21.939 8.771 711 HA SER 6 HA SER 6 39.952 21.528 10.751 712 1HB SER 6 HB2 SER 6 39.214 23.018 12.719 713 2HB SER 6 HB1 SER 6 40.323 23.738 11.576 714 HG SER 6 HG SER 6 38.730 24.987 10.801 715 H VAL 7 HN VAL 7 38.282 19.803 10.066 716 HA VAL 7 HA VAL 7 35.654 19.610 10.763 717 HB VAL 7 HB VAL 7 37.903 17.646 11.092 718 1HG1 VAL 7 HG11 VAL 7 35.087 17.244 12.115 719 2HG1 VAL 7 HG12 VAL 7 36.604 16.924 12.954 720 3HG1 VAL 7 HG13 VAL 7 36.094 15.877 11.634 721 1HG2 VAL 7 HG21 VAL 7 36.884 18.121 8.863 722 2HG2 VAL 7 HG22 VAL 7 35.347 17.532 9.480 723 3HG2 VAL 7 HG23 VAL 7 36.718 16.435 9.349 724 HA PRO 8 HA PRO 8 36.660 18.772 15.476 725 1HB PRO 8 HB2 PRO 8 38.942 20.232 16.312 726 2HB PRO 8 HB1 PRO 8 38.880 18.477 16.049 727 1HG PRO 8 HG2 PRO 8 39.778 20.632 14.161 728 2HG PRO 8 HG1 PRO 8 40.520 19.051 14.505 729 1HD PRO 8 HD2 PRO 8 39.090 19.296 12.298 730 2HD PRO 8 HD1 PRO 8 38.837 17.865 13.303 731 H TYR 9 HN TYR 9 37.122 21.669 13.625 732 HA TYR 9 HA TYR 9 36.559 23.537 15.667 733 1HB TYR 9 HB2 TYR 9 37.552 24.364 13.652 734 2HB TYR 9 HB1 TYR 9 36.267 23.705 12.649 735 HD1 TYR 9 HD1 TYR 9 36.263 25.764 15.815 736 HD2 TYR 9 HD2 TYR 9 35.030 25.463 11.704 737 HE1 TYR 9 HE1 TYR 9 34.995 27.869 16.044 738 HE2 TYR 9 HE2 TYR 9 33.764 27.572 11.942 739 HH TYR 9 HH TYR 9 34.083 29.727 13.689 740 H PHE 10 HN PHE 10 34.488 21.961 13.268 741 HA PHE 10 HA PHE 10 32.083 23.209 14.235 742 1HB PHE 10 HB2 PHE 10 32.864 21.381 12.072 743 2HB PHE 10 HB1 PHE 10 31.327 20.901 12.779 744 HD1 PHE 10 HD2 PHE 10 33.023 24.175 12.020 745 HD2 PHE 10 HD1 PHE 10 29.493 21.769 11.554 746 HE1 PHE 10 HE2 PHE 10 31.928 26.020 10.774 747 HE2 PHE 10 HE1 PHE 10 28.409 23.619 10.313 748 HZ PHE 10 HZ PHE 10 29.613 25.735 9.920 749 H ILE 11 HN ILE 11 33.508 19.976 14.578 750 HA ILE 11 HA ILE 11 31.449 18.861 16.113 751 HB ILE 11 HB ILE 11 34.411 18.270 16.077 752 1HG1 ILE 11 HG12 ILE 11 32.045 16.840 14.791 753 2HG1 ILE 11 HG11 ILE 11 33.132 17.931 13.941 754 1HG2 ILE 11 HG21 ILE 11 33.700 16.068 17.098 755 2HG2 ILE 11 HG22 ILE 11 32.119 16.774 17.389 756 3HG2 ILE 11 HG23 ILE 11 33.550 17.438 18.188 757 1HD1 ILE 11 HD11 ILE 11 33.933 15.721 13.500 758 2HD1 ILE 11 HD12 ILE 11 33.799 15.266 15.191 759 3HD1 ILE 11 HD13 ILE 11 35.042 16.410 14.688 760 H GLU 12 HN GLU 12 34.314 20.707 17.076 761 HA GLU 12 HA GLU 12 34.269 20.402 19.808 762 1HB GLU 12 HB2 GLU 12 35.950 21.743 18.640 763 2HB GLU 12 HB1 GLU 12 34.746 22.978 18.282 764 1HG GLU 12 HG2 GLU 12 34.459 23.395 20.670 765 2HG GLU 12 HG1 GLU 12 35.568 22.078 21.044 766 H ASN 13 HN ASN 13 31.962 22.092 17.810 767 HA ASN 13 HA ASN 13 30.729 23.582 19.933 768 1HB ASN 13 HB2 ASN 13 30.575 24.223 17.537 769 2HB ASN 13 HB1 ASN 13 29.600 22.784 17.240 770 1HD2 ASN 13 HD21 ASN 13 27.456 23.447 17.048 771 2HD2 ASN 13 HD22 ASN 13 26.692 24.553 18.084 772 H LEU 14 HN LEU 14 30.043 20.525 18.264 773 HA LEU 14 HA LEU 14 27.637 19.947 19.689 774 1HB LEU 14 HB2 LEU 14 29.533 18.169 18.136 775 2HB LEU 14 HB1 LEU 14 28.011 17.616 18.824 776 HG LEU 14 HG LEU 14 27.096 19.809 17.440 777 1HD1 LEU 14 HD11 LEU 14 29.195 18.721 15.555 778 2HD1 LEU 14 HD12 LEU 14 29.490 20.134 16.567 779 3HD1 LEU 14 HD13 LEU 14 28.192 20.155 15.395 780 1HD2 LEU 14 HD21 LEU 14 26.306 18.299 15.731 781 2HD2 LEU 14 HD22 LEU 14 26.301 17.441 17.267 782 3HD2 LEU 14 HD23 LEU 14 27.581 17.134 16.098 783 H LYS 15 HN LYS 15 31.028 19.178 20.200 784 HA LYS 15 HA LYS 15 30.722 17.227 22.168 785 1HB LYS 15 HB2 LYS 15 32.842 17.852 21.032 786 2HB LYS 15 HB1 LYS 15 32.879 19.327 21.995 787 1HG LYS 15 HG2 LYS 15 32.941 18.007 24.067 788 2HG LYS 15 HG1 LYS 15 32.795 16.518 23.139 789 1HD LYS 15 HD2 LYS 15 35.114 16.625 23.547 790 2HD LYS 15 HD1 LYS 15 34.990 17.322 21.935 791 1HE LYS 15 HE2 LYS 15 36.455 18.702 23.334 792 2HE LYS 15 HE1 LYS 15 34.985 19.603 22.976 793 1HZ LYS 15 HZ1 LYS 15 34.832 17.942 25.326 794 2HZ LYS 15 HZ2 LYS 15 34.341 19.553 25.102 795 3HZ LYS 15 HZ3 LYS 15 35.966 19.197 25.442 796 H GLN 16 HN GLN 16 30.982 20.766 22.452 797 HA GLN 16 HA GLN 16 30.774 20.859 25.283 798 1HB GLN 16 HB2 GLN 16 31.659 22.723 23.909 799 2HB GLN 16 HB1 GLN 16 30.042 22.991 23.259 800 1HG GLN 16 HG2 GLN 16 29.177 23.535 25.455 801 2HG GLN 16 HG1 GLN 16 30.695 23.069 26.219 802 1HE2 GLN 16 HE21 GLN 16 29.768 25.226 23.467 803 2HE2 GLN 16 HE22 GLN 16 30.723 26.529 23.988 804 H HIS 17 HN HIS 17 28.419 20.648 22.716 805 HA HIS 17 HA HIS 17 26.161 21.481 24.249 806 1HB HIS 17 HB2 HIS 17 26.336 19.710 21.797 807 2HB HIS 17 HB1 HIS 17 24.841 20.346 22.465 808 HD1 HIS 17 HD1 HIS 17 26.639 23.084 23.217 809 HD2 HIS 17 HD2 HIS 17 25.740 21.448 19.490 810 HE1 HIS 17 HE1 HIS 17 26.838 24.972 21.540 811 HE2 HIS 17 HE2 HIS 17 26.284 23.991 19.264 812 H ILE 18 HN ILE 18 27.343 18.236 23.346 813 HA ILE 18 HA ILE 18 25.462 16.881 25.064 814 HB ILE 18 HB ILE 18 26.662 14.862 24.422 815 1HG1 ILE 18 HG12 ILE 18 28.708 16.810 23.303 816 2HG1 ILE 18 HG11 ILE 18 28.975 15.563 24.514 817 1HG2 ILE 18 HG21 ILE 18 26.062 14.908 22.138 818 2HG2 ILE 18 HG22 ILE 18 26.563 16.582 21.928 819 3HG2 ILE 18 HG23 ILE 18 25.089 16.204 22.813 820 1HD1 ILE 18 HD11 ILE 18 29.864 14.643 22.525 821 2HD1 ILE 18 HD12 ILE 18 28.502 15.204 21.557 822 3HD1 ILE 18 HD13 ILE 18 28.284 13.874 22.697 823 H GLU 19 HN GLU 19 28.948 17.565 25.209 824 HA GLU 19 HA GLU 19 29.537 16.222 27.586 825 1HB GLU 19 HB2 GLU 19 31.239 17.236 26.088 826 2HB GLU 19 HB1 GLU 19 30.724 18.839 26.616 827 1HG GLU 19 HG2 GLU 19 31.388 18.327 28.913 828 2HG GLU 19 HG1 GLU 19 31.808 16.680 28.447 829 H MET 20 HN MET 20 28.709 19.682 27.191 830 HA MET 20 HA MET 20 28.129 19.862 30.078 831 1HB MET 20 HB2 MET 20 28.233 22.067 28.000 832 2HB MET 20 HB1 MET 20 28.184 22.257 29.749 833 1HG MET 20 HG2 MET 20 30.354 21.048 29.912 834 2HG MET 20 HG1 MET 20 30.420 20.984 28.150 835 1HE MET 20 HE1 MET 20 32.504 22.248 27.654 836 2HE MET 20 HE2 MET 20 32.801 22.054 29.380 837 3HE MET 20 HE3 MET 20 33.084 23.616 28.617 838 H ASN 21 HN ASN 21 26.429 22.277 29.157 839 HA ASN 21 HA ASN 21 24.110 21.210 27.893 840 1HB ASN 21 HB2 ASN 21 22.617 21.160 29.848 841 2HB ASN 21 HB1 ASN 21 23.911 19.974 30.010 842 1HD2 ASN 21 HD21 ASN 21 22.741 20.726 32.376 843 2HD2 ASN 21 HD22 ASN 21 23.754 21.774 33.245 844 H GLN 22 HN GLN 22 25.635 23.507 27.541 845 HA GLN 22 HA GLN 22 24.780 25.812 28.855 846 1HB GLN 22 HB2 GLN 22 25.635 25.399 25.983 847 2HB GLN 22 HB1 GLN 22 25.425 26.986 26.724 848 1HG GLN 22 HG2 GLN 22 27.116 26.434 28.416 849 2HG GLN 22 HG1 GLN 22 27.302 24.826 27.720 850 1HE2 GLN 22 HE21 GLN 22 29.044 27.494 27.871 851 2HE2 GLN 22 HE22 GLN 22 29.676 27.585 26.299 852 H SER 23 HN SER 23 23.458 24.278 25.932 853 HA SER 23 HA SER 23 20.777 24.963 26.549 854 1HB SER 23 HB2 SER 23 20.418 26.589 24.667 855 2HB SER 23 HB1 SER 23 21.385 27.236 25.985 856 HG SER 23 HG SER 23 22.824 27.592 24.503 857 H GLU 24 HN GLU 24 21.236 22.584 26.011 858 HA GLU 24 HA GLU 24 20.096 22.046 23.448 859 1HB GLU 24 HB2 GLU 24 22.695 22.464 23.083 860 2HB GLU 24 HB1 GLU 24 22.856 20.834 23.711 861 1HG GLU 24 HG2 GLU 24 22.666 20.551 21.337 862 2HG GLU 24 HG1 GLU 24 21.072 20.152 21.978 863 H ASP 25 HN ASP 25 21.686 19.378 23.584 864 HA ASP 25 HA ASP 25 20.632 18.128 26.004 865 1HB ASP 25 HB2 ASP 25 19.614 17.260 23.277 866 2HB ASP 25 HB1 ASP 25 19.186 16.560 24.842 867 H LYS 26 HN LYS 26 20.645 15.510 24.870 868 HA LYS 26 HA LYS 26 23.558 15.124 24.697 869 1HB LYS 26 HB2 LYS 26 22.168 13.905 26.364 870 2HB LYS 26 HB1 LYS 26 21.376 13.060 25.043 871 1HG LYS 26 HG2 LYS 26 23.565 12.196 24.290 872 2HG LYS 26 HG1 LYS 26 24.364 13.063 25.594 873 1HD LYS 26 HD2 LYS 26 22.136 11.196 26.414 874 2HD LYS 26 HD1 LYS 26 23.602 10.432 25.809 875 1HE LYS 26 HE2 LYS 26 23.616 10.763 28.290 876 2HE LYS 26 HE1 LYS 26 24.953 11.572 27.472 877 1HZ LYS 26 HZ1 LYS 26 23.861 13.636 27.613 878 2HZ LYS 26 HZ2 LYS 26 23.735 12.942 29.159 879 3HZ LYS 26 HZ3 LYS 26 22.400 12.930 28.106 880 H ILE 27 HN ILE 27 21.596 12.627 23.377 881 HA ILE 27 HA ILE 27 22.989 12.622 20.923 882 HB ILE 27 HB ILE 27 20.316 11.367 21.550 883 1HG1 ILE 27 HG12 ILE 27 22.002 10.722 23.209 884 2HG1 ILE 27 HG11 ILE 27 21.646 9.364 22.155 885 1HG2 ILE 27 HG21 ILE 27 21.064 9.725 19.807 886 2HG2 ILE 27 HG22 ILE 27 22.401 10.813 19.434 887 3HG2 ILE 27 HG23 ILE 27 20.737 11.340 19.183 888 1HD1 ILE 27 HD11 ILE 27 23.746 10.210 20.801 889 2HD1 ILE 27 HD12 ILE 27 23.978 9.296 22.286 890 3HD1 ILE 27 HD13 ILE 27 24.129 11.047 22.300 891 H HIS 28 HN HIS 28 19.856 13.966 21.862 892 HA HIS 28 HA HIS 28 19.065 14.711 19.232 893 1HB HIS 28 HB2 HIS 28 18.248 15.806 21.934 894 2HB HIS 28 HB1 HIS 28 17.442 16.174 20.407 895 HD1 HIS 28 HD1 HIS 28 16.275 14.140 19.160 896 HD2 HIS 28 HD2 HIS 28 17.587 13.300 23.027 897 HE1 HIS 28 HE1 HIS 28 15.141 11.982 19.848 898 HE2 HIS 28 HE2 HIS 28 15.931 11.457 22.204 899 H ALA 29 HN ALA 29 21.754 15.653 20.722 900 HA ALA 29 HA ALA 29 21.641 18.520 20.449 901 1HB ALA 29 HB1 ALA 29 24.033 18.467 20.911 902 2HB ALA 29 HB2 ALA 29 24.057 16.717 20.694 903 3HB ALA 29 HB3 ALA 29 23.174 17.429 22.045 904 H MET 30 HN MET 30 23.140 15.893 18.610 905 HA MET 30 HA MET 30 24.177 17.560 16.576 906 1HB MET 30 HB2 MET 30 24.497 15.505 15.314 907 2HB MET 30 HB1 MET 30 24.952 15.237 16.994 908 1HG MET 30 HG2 MET 30 23.614 13.349 16.658 909 2HG MET 30 HG1 MET 30 22.388 14.476 17.197 910 1HE MET 30 HE1 MET 30 20.729 12.967 16.378 911 2HE MET 30 HE2 MET 30 21.592 11.806 15.372 912 3HE MET 30 HE3 MET 30 20.240 12.713 14.699 913 H ASN 31 HN ASN 31 21.162 15.692 16.816 914 HA ASN 31 HA ASN 31 20.192 16.132 14.265 915 1HB ASN 31 HB2 ASN 31 19.064 14.732 15.944 916 2HB ASN 31 HB1 ASN 31 18.607 16.180 16.839 917 1HD2 ASN 31 HD21 ASN 31 17.331 13.979 14.737 918 2HD2 ASN 31 HD22 ASN 31 16.177 14.956 13.966 919 H SER 32 HN SER 32 19.622 18.216 17.120 920 HA SER 32 HA SER 32 18.236 20.254 15.750 921 1HB SER 32 HB2 SER 32 18.130 20.274 18.117 922 2HB SER 32 HB1 SER 32 19.883 20.210 18.265 923 HG SER 32 HG SER 32 19.071 22.321 18.606 924 H TYR 33 HN TYR 33 21.695 19.943 16.541 925 HA TYR 33 HA TYR 33 22.455 22.383 15.233 926 1HB TYR 33 HB2 TYR 33 23.817 21.469 17.037 927 2HB TYR 33 HB1 TYR 33 24.088 19.985 16.119 928 HD1 TYR 33 HD2 TYR 33 25.451 20.001 14.068 929 HD2 TYR 33 HD1 TYR 33 25.014 23.530 16.476 930 HE1 TYR 33 HE2 TYR 33 27.373 21.048 12.895 931 HE2 TYR 33 HE1 TYR 33 26.938 24.570 15.305 932 HH TYR 33 HH TYR 33 29.123 22.899 13.501 933 H TYR 34 HN TYR 34 21.798 19.174 14.176 934 HA TYR 34 HA TYR 34 23.454 19.191 11.829 935 1HB TYR 34 HB2 TYR 34 22.579 17.095 12.958 936 2HB TYR 34 HB1 TYR 34 20.995 17.479 12.304 937 HD1 TYR 34 HD2 TYR 34 20.596 17.357 9.869 938 HD2 TYR 34 HD1 TYR 34 24.418 16.371 11.577 939 HE1 TYR 34 HE2 TYR 34 21.274 16.289 7.736 940 HE2 TYR 34 HE1 TYR 34 25.094 15.313 9.438 941 HH TYR 34 HH TYR 34 23.298 14.221 7.285 942 H ARG 35 HN ARG 35 19.936 19.482 12.303 943 HA ARG 35 HA ARG 35 19.380 20.184 9.623 944 1HB ARG 35 HB2 ARG 35 17.183 20.858 10.476 945 2HB ARG 35 HB1 ARG 35 17.674 19.310 11.165 946 1HG ARG 35 HG2 ARG 35 18.534 20.562 13.179 947 2HG ARG 35 HG1 ARG 35 17.823 22.029 12.511 948 1HD ARG 35 HD2 ARG 35 16.286 19.494 13.121 949 2HD ARG 35 HD1 ARG 35 16.336 20.913 14.164 950 HE ARG 35 HE ARG 35 14.774 20.607 11.773 951 1HH1 ARG 35 HH21 ARG 35 16.528 22.850 13.739 952 2HH1 ARG 35 HH22 ARG 35 15.594 24.223 13.246 953 1HH2 ARG 35 HH11 ARG 35 13.543 22.400 11.126 954 2HH2 ARG 35 HH12 ARG 35 13.905 23.968 11.767 955 H SER 36 HN SER 36 20.466 21.999 12.384 956 HA SER 36 HA SER 36 19.686 24.580 11.504 957 1HB SER 36 HB2 SER 36 21.215 25.418 13.162 958 2HB SER 36 HB1 SER 36 20.426 23.993 13.833 959 HG SER 36 HG SER 36 22.966 24.383 13.667 960 H VAL 37 HN VAL 37 22.708 22.733 11.168 961 HA VAL 37 HA VAL 37 24.038 24.766 9.657 962 HB VAL 37 HB VAL 37 24.584 21.809 10.028 963 1HG1 VAL 37 HG11 VAL 37 26.157 23.882 8.470 964 2HG1 VAL 37 HG12 VAL 37 25.568 22.320 7.894 965 3HG1 VAL 37 HG13 VAL 37 26.878 22.384 9.061 966 1HG2 VAL 37 HG21 VAL 37 26.493 22.707 11.353 967 2HG2 VAL 37 HG22 VAL 37 24.931 23.173 12.015 968 3HG2 VAL 37 HG23 VAL 37 25.882 24.336 11.092 969 H VAL 38 HN VAL 38 22.454 21.710 8.760 970 HA VAL 38 HA VAL 38 22.895 21.924 5.995 971 HB VAL 38 HB VAL 38 20.617 20.602 7.496 972 1HG1 VAL 38 HG11 VAL 38 21.492 20.362 4.602 973 2HG1 VAL 38 HG12 VAL 38 19.908 20.869 5.191 974 3HG1 VAL 38 HG13 VAL 38 20.430 19.199 5.395 975 1HG2 VAL 38 HG21 VAL 38 23.144 19.441 6.298 976 2HG2 VAL 38 HG22 VAL 38 21.931 18.584 7.240 977 3HG2 VAL 38 HG23 VAL 38 22.935 19.809 8.008 978 H SER 39 HN SER 39 20.073 22.938 7.940 979 HA SER 39 HA SER 39 18.644 24.039 5.759 980 1HB SER 39 HB2 SER 39 18.452 24.815 8.673 981 2HB SER 39 HB1 SER 39 17.237 25.084 7.426 982 HG SER 39 HG SER 39 17.279 22.739 7.152 983 H THR 40 HN THR 40 21.372 25.127 7.497 984 HA THR 40 HA THR 40 20.959 27.958 6.858 985 HB THR 40 HB THR 40 23.216 26.487 8.226 986 HG1 THR 40 HG1 THR 40 21.564 28.502 9.265 987 1HG2 THR 40 HG21 THR 40 22.925 29.395 7.436 988 2HG2 THR 40 HG22 THR 40 24.303 28.324 7.177 989 3HG2 THR 40 HG23 THR 40 23.926 28.895 8.801 990 H LEU 41 HN LEU 41 23.326 25.417 6.043 991 HA LEU 41 HA LEU 41 24.691 26.970 4.093 992 1HB LEU 41 HB2 LEU 41 24.551 23.972 4.489 993 2HB LEU 41 HB1 LEU 41 25.683 24.790 3.412 994 HG LEU 41 HG LEU 41 25.482 25.217 6.413 995 1HD1 LEU 41 HD11 LEU 41 27.575 23.979 6.560 996 2HD1 LEU 41 HD12 LEU 41 27.631 23.800 4.808 997 3HD1 LEU 41 HD13 LEU 41 26.369 22.992 5.735 998 1HD2 LEU 41 HD21 LEU 41 27.162 26.530 4.270 999 2HD2 LEU 41 HD22 LEU 41 27.869 26.299 5.869 1000 3HD2 LEU 41 HD23 LEU 41 26.401 27.252 5.688 1001 H VAL 42 HN VAL 42 22.076 24.613 3.901 1002 HA VAL 42 HA VAL 42 21.938 24.731 1.016 1003 HB VAL 42 HB VAL 42 19.967 23.621 3.029 1004 1HG1 VAL 42 HG11 VAL 42 18.646 23.648 1.105 1005 2HG1 VAL 42 HG12 VAL 42 19.520 22.155 0.789 1006 3HG1 VAL 42 HG13 VAL 42 20.037 23.655 0.019 1007 1HG2 VAL 42 HG21 VAL 42 22.132 22.233 1.411 1008 2HG2 VAL 42 HG22 VAL 42 21.036 21.468 2.556 1009 3HG2 VAL 42 HG23 VAL 42 22.248 22.614 3.128 1010 H GLN 43 HN GLN 43 21.565 27.184 2.860 1011 HA GLN 43 HA GLN 43 19.295 28.305 1.376 1012 1HB GLN 43 HB2 GLN 43 19.524 28.382 4.385 1013 2HB GLN 43 HB1 GLN 43 18.377 29.324 3.440 1014 1HG GLN 43 HG2 GLN 43 17.472 27.184 2.489 1015 2HG GLN 43 HG1 GLN 43 18.525 26.295 3.585 1016 1HE2 GLN 43 HE21 GLN 43 17.134 25.470 5.174 1017 2HE2 GLN 43 HE22 GLN 43 16.008 26.405 6.033 1018 H ASP 44 HN ASP 44 22.418 28.522 2.367 1019 HA ASP 44 HA ASP 44 22.454 31.501 2.260 1020 1HB ASP 44 HB2 ASP 44 24.386 29.550 3.532 1021 2HB ASP 44 HB1 ASP 44 24.657 31.287 3.403 1022 H GLN 45 HN GLN 45 23.744 28.514 0.942 1023 HA GLN 45 HA GLN 45 24.730 29.965 -1.399 1024 1HB GLN 45 HB2 GLN 45 26.653 29.991 0.140 1025 2HB GLN 45 HB1 GLN 45 26.564 28.235 0.273 1026 1HG GLN 45 HG2 GLN 45 27.056 27.955 -2.078 1027 2HG GLN 45 HG1 GLN 45 26.921 29.691 -2.363 1028 1HE2 GLN 45 HE21 GLN 45 29.278 28.841 -3.208 1029 2HE2 GLN 45 HE22 GLN 45 30.528 29.115 -2.092 1030 H LEU 46 HN LEU 46 23.051 28.808 -2.439 1031 HA LEU 46 HA LEU 46 23.484 25.883 -2.693 1032 1HB LEU 46 HB2 LEU 46 21.162 27.175 -2.059 1033 2HB LEU 46 HB1 LEU 46 20.988 27.097 -3.806 1034 HG LEU 46 HG LEU 46 21.587 24.722 -2.010 1035 1HD1 LEU 46 HD11 LEU 46 19.249 24.061 -2.556 1036 2HD1 LEU 46 HD12 LEU 46 19.021 25.617 -3.356 1037 3HD1 LEU 46 HD13 LEU 46 19.328 25.553 -1.619 1038 1HD2 LEU 46 HD21 LEU 46 22.465 24.424 -4.272 1039 2HD2 LEU 46 HD22 LEU 46 20.935 24.953 -4.967 1040 3HD2 LEU 46 HD23 LEU 46 21.021 23.431 -4.081 1041 H THR 47 HN THR 47 25.219 27.632 -4.021 1042 HA THR 47 HA THR 47 24.470 28.173 -6.678 1043 HB THR 47 HB THR 47 26.451 29.165 -5.588 1044 HG1 THR 47 HG1 THR 47 27.940 28.493 -7.409 1045 1HG2 THR 47 HG21 THR 47 27.774 26.470 -5.954 1046 2HG2 THR 47 HG22 THR 47 27.106 27.013 -4.412 1047 3HG2 THR 47 HG23 THR 47 28.437 27.897 -5.157 1048 H LYS 48 HN LYS 48 25.140 25.246 -5.071 1049 HA LYS 48 HA LYS 48 24.590 23.693 -7.405 1050 1HB LYS 48 HB2 LYS 48 27.029 24.402 -7.690 1051 2HB LYS 48 HB1 LYS 48 27.380 23.404 -6.288 1052 1HG LYS 48 HG2 LYS 48 27.768 21.886 -8.026 1053 2HG LYS 48 HG1 LYS 48 26.092 21.531 -7.631 1054 1HD LYS 48 HD2 LYS 48 25.452 23.210 -9.472 1055 2HD LYS 48 HD1 LYS 48 27.145 23.194 -9.937 1056 1HE LYS 48 HE2 LYS 48 25.406 20.719 -9.754 1057 2HE LYS 48 HE1 LYS 48 25.750 21.593 -11.249 1058 1HZ LYS 48 HZ1 LYS 48 27.611 20.435 -11.403 1059 2HZ LYS 48 HZ2 LYS 48 27.361 19.716 -9.884 1060 3HZ LYS 48 HZ3 LYS 48 28.181 21.201 -10.003 1061 H ASN 49 HN ASN 49 23.475 21.971 -6.637 1062 HA ASN 49 HA ASN 49 23.262 21.324 -3.936 1063 1HB ASN 49 HB2 ASN 49 22.938 19.367 -6.199 1064 2HB ASN 49 HB1 ASN 49 22.144 19.325 -4.625 1065 1HD2 ASN 49 HD21 ASN 49 20.496 21.004 -4.191 1066 2HD2 ASN 49 HD22 ASN 49 19.764 21.836 -5.475 1067 H ALA 50 HN ALA 50 25.844 20.678 -6.082 1068 HA ALA 50 HA ALA 50 26.814 18.290 -4.709 1069 1HB ALA 50 HB1 ALA 50 27.258 18.879 -7.150 1070 2HB ALA 50 HB2 ALA 50 28.658 18.357 -6.212 1071 3HB ALA 50 HB3 ALA 50 28.416 20.071 -6.558 1072 H VAL 51 HN VAL 51 28.206 21.570 -5.100 1073 HA VAL 51 HA VAL 51 30.315 21.435 -3.337 1074 HB VAL 51 HB VAL 51 30.114 23.857 -3.036 1075 1HG1 VAL 51 HG11 VAL 51 29.594 22.677 -5.769 1076 2HG1 VAL 51 HG12 VAL 51 31.019 23.520 -5.171 1077 3HG1 VAL 51 HG13 VAL 51 29.568 24.433 -5.596 1078 1HG2 VAL 51 HG21 VAL 51 27.261 23.279 -3.646 1079 2HG2 VAL 51 HG22 VAL 51 27.857 24.772 -4.292 1080 3HG2 VAL 51 HG23 VAL 51 27.919 24.469 -2.560 1081 H VAL 52 HN VAL 52 26.903 21.895 -2.539 1082 HA VAL 52 HA VAL 52 27.375 22.248 0.290 1083 HB VAL 52 HB VAL 52 24.906 22.114 0.488 1084 1HG1 VAL 52 HG11 VAL 52 24.393 24.111 -0.763 1085 2HG1 VAL 52 HG12 VAL 52 25.667 23.782 -1.936 1086 3HG1 VAL 52 HG13 VAL 52 26.086 24.242 -0.288 1087 1HG2 VAL 52 HG21 VAL 52 23.589 21.859 -1.619 1088 2HG2 VAL 52 HG22 VAL 52 24.497 20.400 -1.228 1089 3HG2 VAL 52 HG23 VAL 52 25.090 21.508 -2.460 1090 H LEU 53 HN LEU 53 26.663 19.593 -1.857 1091 HA LEU 53 HA LEU 53 25.794 17.701 -0.010 1092 1HB LEU 53 HB2 LEU 53 25.746 17.361 -2.482 1093 2HB LEU 53 HB1 LEU 53 27.492 17.184 -2.463 1094 HG LEU 53 HG LEU 53 27.279 15.238 -0.989 1095 1HD1 LEU 53 HD11 LEU 53 24.834 14.233 -0.923 1096 2HD1 LEU 53 HD12 LEU 53 24.346 15.914 -1.130 1097 3HD1 LEU 53 HD13 LEU 53 25.310 15.440 0.269 1098 1HD2 LEU 53 HD21 LEU 53 25.667 15.124 -3.549 1099 2HD2 LEU 53 HD22 LEU 53 26.273 13.709 -2.688 1100 3HD2 LEU 53 HD23 LEU 53 27.405 14.869 -3.377 1101 H LYS 54 HN LYS 54 29.030 18.728 -0.913 1102 HA LYS 54 HA LYS 54 30.508 16.726 0.368 1103 1HB LYS 54 HB2 LYS 54 31.476 19.582 0.295 1104 2HB LYS 54 HB1 LYS 54 32.378 18.104 -0.005 1105 1HG LYS 54 HG2 LYS 54 30.331 19.389 -1.830 1106 2HG LYS 54 HG1 LYS 54 32.056 19.322 -2.085 1107 1HD LYS 54 HD2 LYS 54 30.226 16.905 -1.976 1108 2HD LYS 54 HD1 LYS 54 30.853 17.641 -3.436 1109 1HE LYS 54 HE2 LYS 54 32.446 15.959 -3.131 1110 2HE LYS 54 HE1 LYS 54 33.216 17.251 -2.218 1111 1HZ LYS 54 HZ1 LYS 54 32.822 14.877 -1.205 1112 2HZ LYS 54 HZ2 LYS 54 31.304 15.537 -0.821 1113 3HZ LYS 54 HZ3 LYS 54 32.723 16.275 -0.249 1114 H ARG 55 HN ARG 55 29.319 19.840 1.580 1115 HA ARG 55 HA ARG 55 30.439 19.616 4.179 1116 1HB ARG 55 HB2 ARG 55 28.202 21.229 2.966 1117 2HB ARG 55 HB1 ARG 55 28.495 21.297 4.703 1118 1HG ARG 55 HG2 ARG 55 29.676 23.107 3.451 1119 2HG ARG 55 HG1 ARG 55 30.779 22.058 4.336 1120 1HD ARG 55 HD2 ARG 55 30.145 21.527 1.429 1121 2HD ARG 55 HD1 ARG 55 31.401 22.672 1.891 1122 HE ARG 55 HE ARG 55 31.536 19.794 2.103 1123 1HH1 ARG 55 HH21 ARG 55 32.625 22.820 3.377 1124 2HH1 ARG 55 HH22 ARG 55 34.118 22.184 3.983 1125 1HH2 ARG 55 HH11 ARG 55 33.496 18.955 2.881 1126 2HH2 ARG 55 HH12 ARG 55 34.611 19.996 3.702 1127 H ILE 56 HN ILE 56 27.255 18.721 2.866 1128 HA ILE 56 HA ILE 56 26.139 17.877 5.319 1129 HB ILE 56 HB ILE 56 25.552 16.920 2.506 1130 1HG1 ILE 56 HG12 ILE 56 24.176 19.062 4.164 1131 2HG1 ILE 56 HG11 ILE 56 25.366 19.410 2.922 1132 1HG2 ILE 56 HG21 ILE 56 24.595 15.380 4.111 1133 2HG2 ILE 56 HG22 ILE 56 23.294 16.402 3.519 1134 3HG2 ILE 56 HG23 ILE 56 23.999 16.709 5.105 1135 1HD1 ILE 56 HD11 ILE 56 23.193 19.627 1.927 1136 2HD1 ILE 56 HD12 ILE 56 22.703 18.054 2.553 1137 3HD1 ILE 56 HD13 ILE 56 23.926 18.157 1.296 1138 H GLN 57 HN GLN 57 27.694 16.005 2.701 1139 HA GLN 57 HA GLN 57 27.540 13.488 3.904 1140 1HB GLN 57 HB2 GLN 57 29.568 14.666 1.990 1141 2HB GLN 57 HB1 GLN 57 29.592 12.969 2.475 1142 1HG GLN 57 HG2 GLN 57 27.292 12.700 1.645 1143 2HG GLN 57 HG1 GLN 57 27.274 14.391 1.162 1144 1HE2 GLN 57 HE21 GLN 57 30.400 13.488 0.610 1145 2HE2 GLN 57 HE22 GLN 57 30.276 12.969 -1.002 1146 H HIS 58 HN HIS 58 30.055 15.985 4.144 1147 HA HIS 58 HA HIS 58 31.756 14.458 5.832 1148 1HB HIS 58 HB2 HIS 58 31.538 17.453 5.398 1149 2HB HIS 58 HB1 HIS 58 32.820 16.670 6.323 1150 HD1 HIS 58 HD1 HIS 58 34.045 18.025 4.085 1151 HD2 HIS 58 HD2 HIS 58 32.219 14.325 3.493 1152 HE1 HIS 58 HE1 HIS 58 35.007 17.086 1.939 1153 HE2 HIS 58 HE2 HIS 58 33.903 14.829 1.566 1154 H LEU 59 HN LEU 59 29.218 16.863 6.430 1155 HA LEU 59 HA LEU 59 29.557 17.221 9.152 1156 1HB LEU 59 HB2 LEU 59 27.890 18.422 7.715 1157 2HB LEU 59 HB1 LEU 59 26.884 16.979 7.758 1158 HG LEU 59 HG LEU 59 26.800 17.139 10.239 1159 1HD1 LEU 59 HD11 LEU 59 28.651 19.453 9.755 1160 2HD1 LEU 59 HD12 LEU 59 28.626 18.284 11.075 1161 3HD1 LEU 59 HD13 LEU 59 27.468 19.602 11.052 1162 1HD2 LEU 59 HD21 LEU 59 25.058 18.138 8.790 1163 2HD2 LEU 59 HD22 LEU 59 25.927 19.672 8.825 1164 3HD2 LEU 59 HD23 LEU 59 25.248 19.006 10.310 1165 H ASP 60 HN ASP 60 28.363 14.449 7.445 1166 HA ASP 60 HA ASP 60 26.909 13.164 9.468 1167 1HB ASP 60 HB2 ASP 60 27.028 12.451 7.077 1168 2HB ASP 60 HB1 ASP 60 28.652 11.841 7.378 1169 H GLU 61 HN GLU 61 30.353 13.510 8.969 1170 HA GLU 61 HA GLU 61 31.273 11.436 10.644 1171 1HB GLU 61 HB2 GLU 61 33.397 12.448 10.482 1172 2HB GLU 61 HB1 GLU 61 32.587 12.932 8.994 1173 1HG GLU 61 HG2 GLU 61 31.889 15.078 10.312 1174 2HG GLU 61 HG1 GLU 61 33.117 14.600 11.472 1175 H ALA 62 HN ALA 62 30.251 14.739 11.329 1176 HA ALA 62 HA ALA 62 31.126 14.793 14.036 1177 1HB ALA 62 HB1 ALA 62 30.592 16.817 12.709 1178 2HB ALA 62 HB2 ALA 62 29.708 16.763 14.234 1179 3HB ALA 62 HB3 ALA 62 28.891 16.351 12.723 1180 H TYR 63 HN TYR 63 27.840 14.465 12.674 1181 HA TYR 63 HA TYR 63 26.499 13.910 15.010 1182 1HB TYR 63 HB2 TYR 63 24.829 13.926 13.458 1183 2HB TYR 63 HB1 TYR 63 25.978 13.629 12.161 1184 HD1 TYR 63 HD2 TYR 63 23.916 11.960 14.779 1185 HD2 TYR 63 HD1 TYR 63 26.182 11.438 11.178 1186 HE1 TYR 63 HE2 TYR 63 23.084 9.637 14.604 1187 HE2 TYR 63 HE1 TYR 63 25.355 9.105 10.998 1188 HH TYR 63 HH TYR 63 22.903 7.853 13.214 1189 H ASN 64 HN ASN 64 28.206 11.666 12.841 1190 HA ASN 64 HA ASN 64 27.521 9.268 14.170 1191 1HB ASN 64 HB2 ASN 64 29.769 10.057 12.309 1192 2HB ASN 64 HB1 ASN 64 29.722 8.445 13.018 1193 1HD2 ASN 64 HD21 ASN 64 27.562 7.229 12.652 1194 2HD2 ASN 64 HD22 ASN 64 26.788 7.469 11.160 1195 H LYS 65 HN LYS 65 30.217 11.512 14.573 1196 HA LYS 65 HA LYS 65 31.597 9.935 16.478 1197 1HB LYS 65 HB2 LYS 65 32.465 11.955 15.117 1198 2HB LYS 65 HB1 LYS 65 31.715 12.960 16.355 1199 1HG LYS 65 HG2 LYS 65 33.057 11.871 18.091 1200 2HG LYS 65 HG1 LYS 65 33.756 10.775 16.899 1201 1HD LYS 65 HD2 LYS 65 34.654 12.781 15.677 1202 2HD LYS 65 HD1 LYS 65 34.087 13.772 17.016 1203 1HE LYS 65 HE2 LYS 65 36.007 11.458 17.332 1204 2HE LYS 65 HE1 LYS 65 36.497 13.149 17.223 1205 1HZ LYS 65 HZ1 LYS 65 35.942 11.923 19.518 1206 2HZ LYS 65 HZ2 LYS 65 34.414 12.568 19.152 1207 3HZ LYS 65 HZ3 LYS 65 35.762 13.592 19.281 1208 H VAL 66 HN VAL 66 29.031 12.333 16.701 1209 HA VAL 66 HA VAL 66 29.145 12.752 19.483 1210 HB VAL 66 HB VAL 66 26.838 12.989 17.509 1211 1HG1 VAL 66 HG11 VAL 66 25.718 12.635 19.571 1212 2HG1 VAL 66 HG12 VAL 66 25.789 14.389 19.402 1213 3HG1 VAL 66 HG13 VAL 66 26.918 13.555 20.471 1214 1HG2 VAL 66 HG21 VAL 66 28.431 15.109 18.979 1215 2HG2 VAL 66 HG22 VAL 66 27.268 15.352 17.681 1216 3HG2 VAL 66 HG23 VAL 66 28.803 14.562 17.347 1217 H LYS 67 HN LYS 67 27.180 10.499 17.566 1218 HA LYS 67 HA LYS 67 25.931 9.289 19.807 1219 1HB LYS 67 HB2 LYS 67 26.435 8.187 17.056 1220 2HB LYS 67 HB1 LYS 67 25.260 7.596 18.223 1221 1HG LYS 67 HG2 LYS 67 24.802 10.432 17.984 1222 2HG LYS 67 HG1 LYS 67 24.983 9.818 16.352 1223 1HD LYS 67 HD2 LYS 67 23.106 8.733 18.471 1224 2HD LYS 67 HD1 LYS 67 22.626 9.771 17.131 1225 1HE LYS 67 HE2 LYS 67 22.235 7.837 15.939 1226 2HE LYS 67 HE1 LYS 67 23.980 7.597 15.895 1227 1HZ LYS 67 HZ1 LYS 67 22.029 6.116 17.277 1228 2HZ LYS 67 HZ2 LYS 67 23.090 6.807 18.410 1229 3HZ LYS 67 HZ3 LYS 67 23.697 5.825 17.164 1230 H ARG 68 HN ARG 68 28.657 8.325 17.767 1231 HA ARG 68 HA ARG 68 29.244 5.907 19.094 1232 1HB ARG 68 HB2 ARG 68 30.903 7.768 17.381 1233 2HB ARG 68 HB1 ARG 68 31.523 6.240 17.991 1234 1HG ARG 68 HG2 ARG 68 29.706 5.028 16.860 1235 2HG ARG 68 HG1 ARG 68 29.039 6.552 16.277 1236 1HD ARG 68 HD2 ARG 68 31.116 6.991 15.026 1237 2HD ARG 68 HD1 ARG 68 31.800 5.480 15.619 1238 HE ARG 68 HE ARG 68 29.888 5.781 13.479 1239 1HH1 ARG 68 HH21 ARG 68 31.040 3.723 16.011 1240 2HH1 ARG 68 HH22 ARG 68 30.509 2.260 15.250 1241 1HH2 ARG 68 HH11 ARG 68 29.191 3.868 12.476 1242 2HH2 ARG 68 HH12 ARG 68 29.462 2.343 13.250 1243 H GLY 69 HN GLY 69 30.281 9.236 19.587 1244 1HA GLY 69 HA2 GLY 69 32.282 8.651 21.530 1245 2HA GLY 69 HA1 GLY 69 31.559 10.222 21.205 1246 H GLU 70 HN GLU 70 28.831 9.104 21.610 1247 HA GLU 70 HA GLU 70 28.737 9.487 24.506 1248 1HB GLU 70 HB2 GLU 70 26.648 9.270 22.336 1249 2HB GLU 70 HB1 GLU 70 26.228 9.392 24.045 1250 1HG GLU 70 HG2 GLU 70 28.119 11.412 22.804 1251 2HG GLU 70 HG1 GLU 70 26.385 11.604 22.615 1252 H SER 71 HN SER 71 27.758 7.009 22.144 1253 HA SER 71 HA SER 71 26.751 5.150 23.998 1254 1HB SER 71 HB2 SER 71 28.100 4.514 21.367 1255 2HB SER 71 HB1 SER 71 26.902 3.541 22.216 1256 HG SER 71 HG SER 71 26.558 5.615 20.522 1257 H LYS 72 HN LYS 72 27.745 3.025 24.499 1258 HA LYS 72 HA LYS 72 29.359 1.830 25.610 1259 1HB LYS 72 HB2 LYS 72 31.168 3.154 23.566 1260 2HB LYS 72 HB1 LYS 72 31.537 1.699 24.491 1261 1HG LYS 72 HG2 LYS 72 29.643 0.538 23.460 1262 2HG LYS 72 HG1 LYS 72 29.241 1.992 22.544 1263 1HD LYS 72 HD2 LYS 72 31.466 1.919 21.462 1264 2HD LYS 72 HD1 LYS 72 31.843 0.444 22.355 1265 1HE LYS 72 HE2 LYS 72 29.946 -0.701 21.296 1266 2HE LYS 72 HE1 LYS 72 29.534 0.773 20.420 1267 1HZ LYS 72 HZ1 LYS 72 31.136 -1.146 19.470 1268 2HZ LYS 72 HZ2 LYS 72 32.280 -0.084 20.141 1269 3HZ LYS 72 HZ3 LYS 72 31.188 0.472 18.965 1270 H LEU 73 HN LEU 73 32.245 2.981 25.517 1271 HA LEU 73 HA LEU 73 33.550 3.935 27.176 1272 1HB LEU 73 HB2 LEU 73 31.732 6.123 26.186 1273 2HB LEU 73 HB1 LEU 73 32.964 6.469 27.398 1274 HG LEU 73 HG LEU 73 34.698 5.588 25.869 1275 1HD1 LEU 73 HD11 LEU 73 32.321 5.207 24.029 1276 2HD1 LEU 73 HD12 LEU 73 33.515 4.007 24.524 1277 3HD1 LEU 73 HD13 LEU 73 33.976 5.303 23.426 1278 1HD2 LEU 73 HD21 LEU 73 34.172 7.990 25.887 1279 2HD2 LEU 73 HD22 LEU 73 32.905 7.737 24.687 1280 3HD2 LEU 73 HD23 LEU 73 34.594 7.476 24.254 1281 H GLU 74 HN GLU 74 31.264 6.215 28.243 1282 HA GLU 74 HA GLU 74 30.623 6.613 30.445 1283 1HB GLU 74 HB2 GLU 74 29.177 4.081 29.624 1284 2HB GLU 74 HB1 GLU 74 28.733 5.046 31.031 1285 1HG GLU 74 HG2 GLU 74 28.886 6.145 28.209 1286 2HG GLU 74 HG1 GLU 74 27.395 5.576 28.957 1287 H HIS 75 HN HIS 75 30.197 3.207 30.891 1288 HA HIS 75 HA HIS 75 31.048 1.723 32.390 1289 1HB HIS 75 HB2 HIS 75 33.083 2.113 30.915 1290 2HB HIS 75 HB1 HIS 75 33.647 3.263 32.123 1291 HD1 HIS 75 HD1 HIS 75 34.705 2.319 34.229 1292 HD2 HIS 75 HD2 HIS 75 32.939 -0.629 31.868 1293 HE1 HIS 75 HE1 HIS 75 35.378 0.094 35.237 1294 HE2 HIS 75 HE2 HIS 75 34.311 -1.713 33.808 1295 H HIS 76 HN HIS 76 32.593 1.741 34.517 1296 HA HIS 76 HA HIS 76 31.898 4.109 36.156 1297 1HB HIS 76 HB2 HIS 76 31.453 1.219 36.944 1298 2HB HIS 76 HB1 HIS 76 31.166 2.632 37.961 1299 HD1 HIS 76 HD1 HIS 76 29.439 4.467 36.731 1300 HD2 HIS 76 HD2 HIS 76 29.187 0.475 35.555 1301 HE1 HIS 76 HE1 HIS 76 27.176 4.186 35.630 1302 HE2 HIS 76 HE2 HIS 76 27.007 1.758 34.907 1303 H HIS 77 HN HIS 77 34.401 3.568 35.003 1304 HA HIS 77 HA HIS 77 36.101 2.244 36.935 1305 1HB HIS 77 HB2 HIS 77 36.653 2.284 34.516 1306 2HB HIS 77 HB1 HIS 77 36.831 4.038 34.599 1307 HD1 HIS 77 HD1 HIS 77 38.203 1.035 36.533 1308 HD2 HIS 77 HD2 HIS 77 39.452 4.740 35.088 1309 HE1 HIS 77 HE1 HIS 77 40.654 1.249 37.134 1310 HE2 HIS 77 HE2 HIS 77 41.431 3.503 36.259 1311 H HIS 78 HN HIS 78 35.343 3.527 38.787 1312 HA HIS 78 HA HIS 78 35.571 5.214 40.334 1313 1HB HIS 78 HB2 HIS 78 38.200 5.522 38.865 1314 2HB HIS 78 HB1 HIS 78 37.823 6.261 40.420 1315 HD1 HIS 78 HD1 HIS 78 38.750 3.025 38.833 1316 HD2 HIS 78 HD2 HIS 78 37.544 4.371 42.590 1317 HE1 HIS 78 HE1 HIS 78 39.217 1.136 40.454 1318 HE2 HIS 78 HE2 HIS 78 38.487 1.941 42.749 1319 H HIS 79 HN HIS 79 33.783 6.254 39.044 1320 HA HIS 79 HA HIS 79 32.813 8.107 38.093 1321 1HB HIS 79 HB2 HIS 79 33.759 9.171 40.095 1322 2HB HIS 79 HB1 HIS 79 35.277 9.447 39.246 1323 HD1 HIS 79 HD1 HIS 79 31.579 10.262 38.753 1324 HD2 HIS 79 HD2 HIS 79 35.331 11.904 37.973 1325 HE1 HIS 79 HE1 HIS 79 31.165 12.542 37.731 1326 HE2 HIS 79 HE2 HIS 79 33.442 13.556 37.250 1327 H HIS 80 HN HIS 80 36.063 9.367 37.620 1328 HA HIS 80 HA HIS 80 35.620 9.939 34.877 1329 1HB HIS 80 HB2 HIS 80 38.023 10.510 34.845 1330 2HB HIS 80 HB1 HIS 80 37.204 11.220 36.236 1331 HD1 HIS 80 HD1 HIS 80 37.425 9.755 38.535 1332 HD2 HIS 80 HD2 HIS 80 40.189 8.917 35.527 1333 HE1 HIS 80 HE1 HIS 80 39.325 8.494 39.639 1334 HE2 HIS 80 HE2 HIS 80 41.018 7.977 37.818 Start of MODEL 6 1 1H MET 1 HT1 MET 1 2.751 0.114 -9.991 2 2H MET 1 HT2 MET 1 2.941 -1.369 -9.184 3 3H MET 1 HT3 MET 1 3.566 0.057 -8.505 4 HA MET 1 HA MET 1 0.985 0.721 -8.786 5 1HB MET 1 HB2 MET 1 0.499 -1.618 -9.523 6 2HB MET 1 HB1 MET 1 1.090 -2.198 -7.967 7 1HG MET 1 HG2 MET 1 -0.644 -0.933 -6.794 8 2HG MET 1 HG1 MET 1 -1.191 -0.232 -8.315 9 1HE MET 1 HE1 MET 1 -0.293 -3.716 -6.719 10 2HE MET 1 HE2 MET 1 -1.906 -4.419 -6.648 11 3HE MET 1 HE3 MET 1 -1.566 -2.927 -5.777 12 H SER 2 HN SER 2 0.751 1.878 -6.982 13 HA SER 2 HA SER 2 1.365 0.812 -4.363 14 1HB SER 2 HB2 SER 2 2.989 2.629 -3.807 15 2HB SER 2 HB1 SER 2 3.605 1.482 -4.994 16 HG SER 2 HG SER 2 2.223 3.777 -5.837 17 H GLU 3 HN GLU 3 0.844 2.390 -2.648 18 HA GLU 3 HA GLU 3 -1.013 4.549 -3.503 19 1HB GLU 3 HB2 GLU 3 -1.576 2.375 -1.472 20 2HB GLU 3 HB1 GLU 3 -2.565 3.822 -1.683 21 1HG GLU 3 HG2 GLU 3 -3.009 3.205 -4.017 22 2HG GLU 3 HG1 GLU 3 -1.983 1.782 -3.850 23 H LEU 4 HN LEU 4 0.927 5.807 -2.967 24 HA LEU 4 HA LEU 4 0.695 6.942 -0.384 25 1HB LEU 4 HB2 LEU 4 2.891 6.372 0.504 26 2HB LEU 4 HB1 LEU 4 1.917 4.928 0.263 27 HG LEU 4 HG LEU 4 3.220 5.183 -2.222 28 1HD1 LEU 4 HD11 LEU 4 5.566 5.548 -1.798 29 2HD1 LEU 4 HD12 LEU 4 5.276 5.765 -0.073 30 3HD1 LEU 4 HD13 LEU 4 4.681 6.962 -1.224 31 1HD2 LEU 4 HD21 LEU 4 4.619 3.279 -1.452 32 2HD2 LEU 4 HD22 LEU 4 2.919 3.074 -1.033 33 3HD2 LEU 4 HD23 LEU 4 4.077 3.569 0.201 34 H PHE 5 HN PHE 5 1.448 7.067 -3.530 35 HA PHE 5 HA PHE 5 3.681 8.759 -3.700 36 1HB PHE 5 HB2 PHE 5 2.621 7.605 -5.635 37 2HB PHE 5 HB1 PHE 5 1.260 8.722 -5.517 38 HD1 PHE 5 HD2 PHE 5 4.898 8.450 -6.182 39 HD2 PHE 5 HD1 PHE 5 1.452 11.013 -6.295 40 HE1 PHE 5 HE2 PHE 5 6.175 10.109 -7.513 41 HE2 PHE 5 HE1 PHE 5 2.729 12.671 -7.625 42 HZ PHE 5 HZ PHE 5 5.090 12.219 -8.234 43 H SER 6 HN SER 6 0.244 9.436 -3.291 44 HA SER 6 HA SER 6 0.256 12.193 -3.569 45 1HB SER 6 HB2 SER 6 -1.686 10.462 -3.035 46 2HB SER 6 HB1 SER 6 -1.408 10.971 -1.375 47 HG SER 6 HG SER 6 -1.405 13.151 -2.847 48 H VAL 7 HN VAL 7 1.152 13.822 -2.466 49 HA VAL 7 HA VAL 7 2.982 13.507 -0.381 50 HB VAL 7 HB VAL 7 1.402 15.843 -1.455 51 1HG1 VAL 7 HG11 VAL 7 1.325 16.440 0.874 52 2HG1 VAL 7 HG12 VAL 7 2.648 17.356 0.176 53 3HG1 VAL 7 HG13 VAL 7 2.990 15.912 1.131 54 1HG2 VAL 7 HG21 VAL 7 4.372 15.452 -1.057 55 2HG2 VAL 7 HG22 VAL 7 3.597 16.721 -1.993 56 3HG2 VAL 7 HG23 VAL 7 3.511 15.045 -2.536 57 HA PRO 8 HA PRO 8 -0.657 14.876 2.657 58 1HB PRO 8 HB2 PRO 8 -3.058 13.581 1.766 59 2HB PRO 8 HB1 PRO 8 -2.720 15.321 1.732 60 1HG PRO 8 HG2 PRO 8 -2.393 13.294 -0.447 61 2HG PRO 8 HG1 PRO 8 -2.957 14.977 -0.547 62 1HD PRO 8 HD2 PRO 8 -0.518 14.408 -1.332 63 2HD PRO 8 HD1 PRO 8 -0.761 15.854 -0.347 64 H TYR 9 HN TYR 9 0.043 11.939 1.020 65 HA TYR 9 HA TYR 9 -1.035 10.124 2.948 66 1HB TYR 9 HB2 TYR 9 -0.393 9.581 0.556 67 2HB TYR 9 HB1 TYR 9 1.291 9.631 1.075 68 HD1 TYR 9 HD2 TYR 9 2.112 8.080 2.859 69 HD2 TYR 9 HD1 TYR 9 -1.790 7.692 1.105 70 HE1 TYR 9 HE2 TYR 9 1.950 5.764 3.729 71 HE2 TYR 9 HE1 TYR 9 -1.949 5.377 1.971 72 HH TYR 9 HH TYR 9 -1.035 3.942 3.546 73 H PHE 10 HN PHE 10 2.220 11.453 2.377 74 HA PHE 10 HA PHE 10 3.497 10.098 4.507 75 1HB PHE 10 HB2 PHE 10 4.141 12.330 2.650 76 2HB PHE 10 HB1 PHE 10 4.993 12.422 4.187 77 HD1 PHE 10 HD2 PHE 10 3.916 9.512 2.064 78 HD2 PHE 10 HD1 PHE 10 7.190 11.626 3.855 79 HE1 PHE 10 HE2 PHE 10 5.479 7.753 1.283 80 HE2 PHE 10 HE1 PHE 10 8.755 9.870 3.074 81 HZ PHE 10 HZ PHE 10 7.906 7.936 1.794 82 H ILE 11 HN ILE 11 1.920 13.267 4.322 83 HA ILE 11 HA ILE 11 2.604 14.091 6.941 84 HB ILE 11 HB ILE 11 0.334 14.889 5.098 85 1HG1 ILE 11 HG12 ILE 11 2.830 16.420 5.860 86 2HG1 ILE 11 HG11 ILE 11 2.796 15.360 4.460 87 1HG2 ILE 11 HG21 ILE 11 0.260 16.945 6.633 88 2HG2 ILE 11 HG22 ILE 11 1.214 16.007 7.781 89 3HG2 ILE 11 HG23 ILE 11 -0.399 15.457 7.315 90 1HD1 ILE 11 HD11 ILE 11 2.330 17.729 3.876 91 2HD1 ILE 11 HD12 ILE 11 0.909 17.681 4.929 92 3HD1 ILE 11 HD13 ILE 11 0.974 16.665 3.493 93 H GLU 12 HN GLU 12 -0.212 12.411 5.608 94 HA GLU 12 HA GLU 12 -1.870 12.374 7.815 95 1HB GLU 12 HB2 GLU 12 -2.399 11.474 5.524 96 2HB GLU 12 HB1 GLU 12 -1.447 10.044 5.919 97 1HG GLU 12 HG2 GLU 12 -2.911 9.589 7.832 98 2HG GLU 12 HG1 GLU 12 -3.836 11.047 7.477 99 H ASN 13 HN ASN 13 1.099 10.639 7.274 100 HA ASN 13 HA ASN 13 0.731 8.676 9.333 101 1HB ASN 13 HB2 ASN 13 3.281 9.673 8.051 102 2HB ASN 13 HB1 ASN 13 3.109 8.217 9.021 103 1HD2 ASN 13 HD21 ASN 13 3.849 8.457 6.099 104 2HD2 ASN 13 HD22 ASN 13 2.696 7.519 5.277 105 H LEU 14 HN LEU 14 2.147 11.896 9.151 106 HA LEU 14 HA LEU 14 3.395 11.899 11.704 107 1HB LEU 14 HB2 LEU 14 2.358 14.300 10.174 108 2HB LEU 14 HB1 LEU 14 3.663 14.263 11.359 109 HG LEU 14 HG LEU 14 3.684 12.840 8.679 110 1HD1 LEU 14 HD11 LEU 14 5.289 14.507 7.996 111 2HD1 LEU 14 HD12 LEU 14 5.256 15.257 9.584 112 3HD1 LEU 14 HD13 LEU 14 3.829 15.323 8.550 113 1HD2 LEU 14 HD21 LEU 14 6.189 12.653 9.310 114 2HD2 LEU 14 HD22 LEU 14 5.075 11.558 10.103 115 3HD2 LEU 14 HD23 LEU 14 5.673 12.979 10.961 116 H LYS 15 HN LYS 15 0.196 12.841 10.549 117 HA LYS 15 HA LYS 15 -0.738 14.104 12.855 118 1HB LYS 15 HB2 LYS 15 -2.173 12.546 10.702 119 2HB LYS 15 HB1 LYS 15 -3.031 13.375 12.002 120 1HG LYS 15 HG2 LYS 15 -1.968 15.507 11.344 121 2HG LYS 15 HG1 LYS 15 -1.126 14.679 10.031 122 1HD LYS 15 HD2 LYS 15 -3.250 14.083 8.995 123 2HD LYS 15 HD1 LYS 15 -4.138 14.793 10.344 124 1HE LYS 15 HE2 LYS 15 -3.165 17.001 9.820 125 2HE LYS 15 HE1 LYS 15 -2.296 16.294 8.464 126 1HZ LYS 15 HZ1 LYS 15 -4.717 15.474 7.880 127 2HZ LYS 15 HZ2 LYS 15 -4.138 16.993 7.385 128 3HZ LYS 15 HZ3 LYS 15 -5.138 16.866 8.752 129 H GLN 16 HN GLN 16 -0.560 10.689 11.989 130 HA GLN 16 HA GLN 16 -2.109 9.687 14.154 131 1HB GLN 16 HB2 GLN 16 -1.565 8.369 12.128 132 2HB GLN 16 HB1 GLN 16 0.124 8.323 12.633 133 1HG GLN 16 HG2 GLN 16 -0.447 7.100 14.647 134 2HG GLN 16 HG1 GLN 16 -2.167 7.290 14.327 135 1HE2 GLN 16 HE21 GLN 16 -1.070 4.701 14.636 136 2HE2 GLN 16 HE22 GLN 16 -1.103 3.906 13.137 137 H HIS 17 HN HIS 17 1.231 10.672 13.846 138 HA HIS 17 HA HIS 17 2.181 9.395 16.217 139 1HB HIS 17 HB2 HIS 17 3.238 11.888 14.856 140 2HB HIS 17 HB1 HIS 17 4.114 10.869 15.992 141 HD1 HIS 17 HD1 HIS 17 5.341 11.146 13.243 142 HD2 HIS 17 HD2 HIS 17 2.537 8.197 14.143 143 HE1 HIS 17 HE1 HIS 17 5.672 9.300 11.541 144 HE2 HIS 17 HE2 HIS 17 3.970 7.494 12.076 145 H ILE 18 HN ILE 18 1.236 12.779 15.561 146 HA ILE 18 HA ILE 18 1.395 13.549 18.326 147 HB ILE 18 HB ILE 18 0.479 15.677 17.575 148 1HG1 ILE 18 HG12 ILE 18 -0.132 14.131 15.048 149 2HG1 ILE 18 HG11 ILE 18 -1.272 14.988 16.070 150 1HG2 ILE 18 HG21 ILE 18 2.336 14.690 15.383 151 2HG2 ILE 18 HG22 ILE 18 2.890 14.951 17.034 152 3HG2 ILE 18 HG23 ILE 18 2.257 16.299 16.104 153 1HD1 ILE 18 HD11 ILE 18 0.777 16.158 14.197 154 2HD1 ILE 18 HD12 ILE 18 0.049 17.117 15.487 155 3HD1 ILE 18 HD13 ILE 18 -0.967 16.422 14.221 156 H GLU 19 HN GLU 19 -1.260 12.794 16.097 157 HA GLU 19 HA GLU 19 -3.348 13.297 17.964 158 1HB GLU 19 HB2 GLU 19 -3.584 13.165 15.429 159 2HB GLU 19 HB1 GLU 19 -3.483 11.411 15.590 160 1HG GLU 19 HG2 GLU 19 -5.819 11.969 15.553 161 2HG GLU 19 HG1 GLU 19 -5.431 11.548 17.217 162 H MET 20 HN MET 20 -1.525 10.422 17.051 163 HA MET 20 HA MET 20 -2.844 8.897 19.236 164 1HB MET 20 HB2 MET 20 -2.606 8.218 16.543 165 2HB MET 20 HB1 MET 20 -1.267 7.333 17.250 166 1HG MET 20 HG2 MET 20 -2.806 6.320 18.898 167 2HG MET 20 HG1 MET 20 -4.156 7.196 18.181 168 1HE MET 20 HE1 MET 20 -5.544 6.419 16.381 169 2HE MET 20 HE2 MET 20 -4.974 5.559 14.956 170 3HE MET 20 HE3 MET 20 -4.310 7.143 15.341 171 H ASN 21 HN ASN 21 -0.990 6.849 19.371 172 HA ASN 21 HA ASN 21 1.630 7.965 19.954 173 1HB ASN 21 HB2 ASN 21 0.243 8.587 21.940 174 2HB ASN 21 HB1 ASN 21 -0.085 6.875 22.200 175 1HD2 ASN 21 HD21 ASN 21 2.904 8.736 21.390 176 2HD2 ASN 21 HD22 ASN 21 3.836 8.046 22.629 177 H GLN 22 HN GLN 22 0.921 6.000 18.143 178 HA GLN 22 HA GLN 22 0.929 3.361 19.081 179 1HB GLN 22 HB2 GLN 22 0.495 4.041 16.718 180 2HB GLN 22 HB1 GLN 22 2.215 4.385 16.535 181 1HG GLN 22 HG2 GLN 22 2.779 2.060 16.998 182 2HG GLN 22 HG1 GLN 22 1.093 1.688 17.345 183 1HE2 GLN 22 HE21 GLN 22 2.497 0.289 15.298 184 2HE2 GLN 22 HE22 GLN 22 1.842 0.730 13.795 185 H SER 23 HN SER 23 3.657 5.420 18.091 186 HA SER 23 HA SER 23 5.413 4.450 20.079 187 1HB SER 23 HB2 SER 23 6.992 3.206 18.553 188 2HB SER 23 HB1 SER 23 5.484 2.363 18.869 189 HG SER 23 HG SER 23 6.414 3.594 16.549 190 H GLU 24 HN GLU 24 5.247 6.910 19.846 191 HA GLU 24 HA GLU 24 7.688 7.838 18.668 192 1HB GLU 24 HB2 GLU 24 5.910 7.705 16.730 193 2HB GLU 24 HB1 GLU 24 5.225 9.146 17.464 194 1HG GLU 24 HG2 GLU 24 6.776 9.948 15.818 195 2HG GLU 24 HG1 GLU 24 7.597 10.155 17.364 196 H ASP 25 HN ASP 25 6.064 10.528 18.383 197 HA ASP 25 HA ASP 25 5.490 11.170 21.167 198 1HB ASP 25 HB2 ASP 25 7.860 12.362 19.706 199 2HB ASP 25 HB1 ASP 25 7.216 12.966 21.235 200 H LYS 26 HN LYS 26 5.674 13.893 21.006 201 HA LYS 26 HA LYS 26 3.409 14.492 19.285 202 1HB LYS 26 HB2 LYS 26 3.643 15.347 21.629 203 2HB LYS 26 HB1 LYS 26 4.974 16.355 21.083 204 1HG LYS 26 HG2 LYS 26 3.478 17.514 19.501 205 2HG LYS 26 HG1 LYS 26 2.160 16.430 19.931 206 1HD LYS 26 HD2 LYS 26 1.906 18.542 21.131 207 2HD LYS 26 HD1 LYS 26 2.270 17.253 22.274 208 1HE LYS 26 HE2 LYS 26 4.483 18.035 22.626 209 2HE LYS 26 HE1 LYS 26 4.493 18.969 21.127 210 1HZ LYS 26 HZ1 LYS 26 2.667 19.566 23.379 211 2HZ LYS 26 HZ2 LYS 26 3.039 20.549 22.045 212 3HZ LYS 26 HZ3 LYS 26 4.208 20.261 23.243 213 H ILE 27 HN ILE 27 5.498 17.153 19.628 214 HA ILE 27 HA ILE 27 5.692 17.545 16.847 215 HB ILE 27 HB ILE 27 5.763 19.408 18.426 216 1HG1 ILE 27 HG12 ILE 27 7.642 20.663 17.474 217 2HG1 ILE 27 HG11 ILE 27 8.420 19.179 16.948 218 1HG2 ILE 27 HG21 ILE 27 8.479 18.354 19.258 219 2HG2 ILE 27 HG22 ILE 27 7.005 18.160 20.206 220 3HG2 ILE 27 HG23 ILE 27 7.651 19.771 19.901 221 1HD1 ILE 27 HD11 ILE 27 6.850 18.815 15.240 222 2HD1 ILE 27 HD12 ILE 27 6.979 20.555 15.248 223 3HD1 ILE 27 HD13 ILE 27 5.621 19.791 16.032 224 H HIS 28 HN HIS 28 7.858 16.115 19.220 225 HA HIS 28 HA HIS 28 10.164 16.010 17.592 226 1HB HIS 28 HB2 HIS 28 9.308 14.199 19.855 227 2HB HIS 28 HB1 HIS 28 10.928 14.267 19.168 228 HD1 HIS 28 HD1 HIS 28 8.515 16.189 21.298 229 HD2 HIS 28 HD2 HIS 28 12.407 16.612 19.864 230 HE1 HIS 28 HE1 HIS 28 9.547 18.114 22.581 231 HE2 HIS 28 HE2 HIS 28 11.919 18.385 21.718 232 H ALA 29 HN ALA 29 7.287 14.780 16.830 233 HA ALA 29 HA ALA 29 7.944 12.100 16.017 234 1HB ALA 29 HB1 ALA 29 5.656 13.922 15.242 235 2HB ALA 29 HB2 ALA 29 5.637 12.703 16.514 236 3HB ALA 29 HB3 ALA 29 5.775 12.212 14.825 237 H MET 30 HN MET 30 7.687 15.249 14.389 238 HA MET 30 HA MET 30 8.168 14.304 11.779 239 1HB MET 30 HB2 MET 30 8.690 16.614 11.230 240 2HB MET 30 HB1 MET 30 7.294 16.562 12.303 241 1HG MET 30 HG2 MET 30 8.545 18.227 13.367 242 2HG MET 30 HG1 MET 30 9.175 16.821 14.196 243 1HE MET 30 HE1 MET 30 10.269 19.858 13.577 244 2HE MET 30 HE2 MET 30 12.003 19.579 13.489 245 3HE MET 30 HE3 MET 30 11.057 18.809 14.756 246 H ASN 31 HN ASN 31 10.374 15.496 14.318 247 HA ASN 31 HA ASN 31 12.740 15.523 12.861 248 1HB ASN 31 HB2 ASN 31 12.262 14.724 15.743 249 2HB ASN 31 HB1 ASN 31 13.867 14.981 15.059 250 1HD2 ASN 31 HD21 ASN 31 13.714 17.245 13.595 251 2HD2 ASN 31 HD22 ASN 31 13.144 18.551 14.517 252 H SER 32 HN SER 32 11.473 12.774 14.778 253 HA SER 32 HA SER 32 13.451 10.939 13.943 254 1HB SER 32 HB2 SER 32 10.601 10.482 14.817 255 2HB SER 32 HB1 SER 32 11.804 9.206 14.657 256 HG SER 32 HG SER 32 11.397 10.512 16.777 257 H TYR 33 HN TYR 33 10.078 11.284 12.785 258 HA TYR 33 HA TYR 33 10.222 9.435 10.695 259 1HB TYR 33 HB2 TYR 33 8.106 10.397 11.504 260 2HB TYR 33 HB1 TYR 33 8.569 11.974 10.864 261 HD1 TYR 33 HD2 TYR 33 8.728 12.359 8.436 262 HD2 TYR 33 HD1 TYR 33 7.404 8.594 10.019 263 HE1 TYR 33 HE2 TYR 33 7.861 11.718 6.194 264 HE2 TYR 33 HE1 TYR 33 6.525 7.957 7.786 265 HH TYR 33 HH TYR 33 5.980 8.763 5.730 266 H TYR 34 HN TYR 34 10.995 12.890 10.766 267 HA TYR 34 HA TYR 34 11.474 13.226 8.001 268 1HB TYR 34 HB2 TYR 34 11.172 15.136 9.527 269 2HB TYR 34 HB1 TYR 34 12.670 14.722 10.356 270 HD1 TYR 34 HD2 TYR 34 14.866 14.786 9.041 271 HD2 TYR 34 HD1 TYR 34 11.199 16.422 7.537 272 HE1 TYR 34 HE2 TYR 34 16.136 16.071 7.350 273 HE2 TYR 34 HE1 TYR 34 12.465 17.700 5.828 274 HH TYR 34 HH TYR 34 16.027 17.540 5.689 275 H ARG 35 HN ARG 35 13.726 12.666 10.713 276 HA ARG 35 HA ARG 35 16.023 12.444 9.096 277 1HB ARG 35 HB2 ARG 35 15.445 11.485 11.897 278 2HB ARG 35 HB1 ARG 35 17.028 11.349 11.131 279 1HG ARG 35 HG2 ARG 35 17.137 13.760 10.819 280 2HG ARG 35 HG1 ARG 35 15.511 13.951 11.472 281 1HD ARG 35 HD2 ARG 35 17.137 14.457 13.210 282 2HD ARG 35 HD1 ARG 35 16.295 12.965 13.616 283 HE ARG 35 HE ARG 35 18.640 12.337 12.164 284 1HH1 ARG 35 HH21 ARG 35 17.560 13.593 15.201 285 2HH1 ARG 35 HH22 ARG 35 18.931 13.018 16.086 286 1HH2 ARG 35 HH11 ARG 35 20.442 11.572 13.318 287 2HH2 ARG 35 HH12 ARG 35 20.564 11.869 15.020 288 H SER 36 HN SER 36 13.508 10.228 9.989 289 HA SER 36 HA SER 36 14.966 7.827 9.381 290 1HB SER 36 HB2 SER 36 12.869 6.686 9.551 291 2HB SER 36 HB1 SER 36 12.883 7.924 10.800 292 HG SER 36 HG SER 36 11.962 8.996 8.552 293 H VAL 37 HN VAL 37 12.662 9.846 7.576 294 HA VAL 37 HA VAL 37 12.627 8.176 5.260 295 HB VAL 37 HB VAL 37 11.932 11.079 5.773 296 1HG1 VAL 37 HG11 VAL 37 12.102 9.643 3.113 297 2HG1 VAL 37 HG12 VAL 37 12.569 11.295 3.519 298 3HG1 VAL 37 HG13 VAL 37 10.877 10.879 3.354 299 1HG2 VAL 37 HG21 VAL 37 9.649 10.287 5.324 300 2HG2 VAL 37 HG22 VAL 37 10.396 9.330 6.603 301 3HG2 VAL 37 HG23 VAL 37 10.258 8.671 4.971 302 H VAL 38 HN VAL 38 14.167 11.388 5.649 303 HA VAL 38 HA VAL 38 15.666 11.407 3.333 304 HB VAL 38 HB VAL 38 17.174 12.976 4.450 305 1HG1 VAL 38 HG11 VAL 38 14.881 13.718 3.831 306 2HG1 VAL 38 HG12 VAL 38 15.499 14.583 5.236 307 3HG1 VAL 38 HG13 VAL 38 14.321 13.290 5.446 308 1HG2 VAL 38 HG21 VAL 38 17.679 11.995 6.551 309 2HG2 VAL 38 HG22 VAL 38 15.984 11.722 6.931 310 3HG2 VAL 38 HG23 VAL 38 16.648 13.355 6.996 311 H SER 39 HN SER 39 16.604 10.031 6.488 312 HA SER 39 HA SER 39 19.179 9.192 5.773 313 1HB SER 39 HB2 SER 39 18.935 7.535 7.607 314 2HB SER 39 HB1 SER 39 18.446 9.152 8.086 315 HG SER 39 HG SER 39 16.828 6.932 7.382 316 H THR 40 HN THR 40 16.049 7.526 5.484 317 HA THR 40 HA THR 40 17.103 5.098 4.477 318 HB THR 40 HB THR 40 14.360 6.324 4.084 319 HG1 THR 40 HG1 THR 40 13.942 4.708 5.783 320 1HG2 THR 40 HG21 THR 40 13.732 3.879 3.762 321 2HG2 THR 40 HG22 THR 40 15.457 3.535 3.611 322 3HG2 THR 40 HG23 THR 40 14.660 4.590 2.443 323 H LEU 41 HN LEU 41 15.756 7.961 2.861 324 HA LEU 41 HA LEU 41 16.028 6.990 0.219 325 1HB LEU 41 HB2 LEU 41 15.963 9.796 1.339 326 2HB LEU 41 HB1 LEU 41 15.901 9.445 -0.386 327 HG LEU 41 HG LEU 41 13.928 8.322 1.635 328 1HD1 LEU 41 HD11 LEU 41 13.765 10.753 1.580 329 2HD1 LEU 41 HD12 LEU 41 12.362 10.048 0.782 330 3HD1 LEU 41 HD13 LEU 41 13.667 10.741 -0.172 331 1HD2 LEU 41 HD21 LEU 41 14.128 8.232 -1.391 332 2HD2 LEU 41 HD22 LEU 41 12.549 8.150 -0.616 333 3HD2 LEU 41 HD23 LEU 41 13.759 6.930 -0.264 334 H VAL 42 HN VAL 42 18.167 8.934 2.256 335 HA VAL 42 HA VAL 42 20.244 9.004 0.223 336 HB VAL 42 HB VAL 42 20.313 10.033 3.080 337 1HG1 VAL 42 HG11 VAL 42 22.073 11.606 1.762 338 2HG1 VAL 42 HG12 VAL 42 22.214 10.192 0.726 339 3HG1 VAL 42 HG13 VAL 42 22.576 10.068 2.442 340 1HG2 VAL 42 HG21 VAL 42 19.708 12.194 2.140 341 2HG2 VAL 42 HG22 VAL 42 18.496 11.024 1.630 342 3HG2 VAL 42 HG23 VAL 42 19.744 11.542 0.504 343 H GLN 43 HN GLN 43 19.400 6.406 1.293 344 HA GLN 43 HA GLN 43 22.018 5.333 1.844 345 1HB GLN 43 HB2 GLN 43 21.134 6.164 4.096 346 2HB GLN 43 HB1 GLN 43 19.911 4.900 3.974 347 1HG GLN 43 HG2 GLN 43 21.736 4.023 5.280 348 2HG GLN 43 HG1 GLN 43 21.806 3.231 3.717 349 1HE2 GLN 43 HE21 GLN 43 24.053 2.947 3.388 350 2HE2 GLN 43 HE22 GLN 43 25.183 4.213 3.454 351 H ASP 44 HN ASP 44 18.769 5.069 0.920 352 HA ASP 44 HA ASP 44 19.032 2.138 0.444 353 1HB ASP 44 HB2 ASP 44 17.159 2.943 1.957 354 2HB ASP 44 HB1 ASP 44 16.463 3.741 0.549 355 H GLN 45 HN GLN 45 18.202 5.265 -0.948 356 HA GLN 45 HA GLN 45 17.771 4.036 -3.594 357 1HB GLN 45 HB2 GLN 45 16.214 5.818 -2.633 358 2HB GLN 45 HB1 GLN 45 17.524 6.969 -2.841 359 1HG GLN 45 HG2 GLN 45 16.204 7.134 -4.833 360 2HG GLN 45 HG1 GLN 45 17.630 6.208 -5.285 361 1HE2 GLN 45 HE21 GLN 45 16.836 4.713 -6.819 362 2HE2 GLN 45 HE22 GLN 45 15.527 3.672 -6.532 363 H LEU 46 HN LEU 46 19.298 7.146 -2.801 364 HA LEU 46 HA LEU 46 21.200 8.131 -3.621 365 1HB LEU 46 HB2 LEU 46 22.125 5.302 -3.136 366 2HB LEU 46 HB1 LEU 46 23.241 6.585 -3.586 367 HG LEU 46 HG LEU 46 21.370 6.825 -1.207 368 1HD1 LEU 46 HD11 LEU 46 23.438 6.216 0.161 369 2HD1 LEU 46 HD12 LEU 46 24.175 5.662 -1.342 370 3HD1 LEU 46 HD13 LEU 46 22.713 4.883 -0.735 371 1HD2 LEU 46 HD21 LEU 46 22.245 8.980 -1.749 372 2HD2 LEU 46 HD22 LEU 46 23.836 8.339 -2.143 373 3HD2 LEU 46 HD23 LEU 46 23.301 8.408 -0.470 374 H THR 47 HN THR 47 19.384 7.461 -5.595 375 HA THR 47 HA THR 47 20.842 6.177 -7.779 376 HB THR 47 HB THR 47 18.436 5.735 -7.475 377 HG1 THR 47 HG1 THR 47 18.050 6.904 -9.753 378 1HG2 THR 47 HG21 THR 47 17.952 8.104 -6.617 379 2HG2 THR 47 HG22 THR 47 16.789 7.451 -7.770 380 3HG2 THR 47 HG23 THR 47 18.008 8.603 -8.299 381 H LYS 48 HN LYS 48 20.058 9.343 -6.613 382 HA LYS 48 HA LYS 48 21.915 10.610 -8.332 383 1HB LYS 48 HB2 LYS 48 19.952 10.156 -9.921 384 2HB LYS 48 HB1 LYS 48 19.044 11.286 -8.955 385 1HG LYS 48 HG2 LYS 48 19.865 12.733 -10.580 386 2HG LYS 48 HG1 LYS 48 21.120 12.893 -9.359 387 1HD LYS 48 HD2 LYS 48 22.406 11.070 -10.567 388 2HD LYS 48 HD1 LYS 48 21.183 11.138 -11.830 389 1HE LYS 48 HE2 LYS 48 22.843 13.499 -10.912 390 2HE LYS 48 HE1 LYS 48 23.170 12.536 -12.356 391 1HZ LYS 48 HZ1 LYS 48 20.545 13.143 -12.594 392 2HZ LYS 48 HZ2 LYS 48 21.815 13.955 -13.378 393 3HZ LYS 48 HZ3 LYS 48 21.183 14.564 -11.922 394 H ASN 49 HN ASN 49 22.533 12.510 -7.451 395 HA ASN 49 HA ASN 49 21.684 13.318 -4.928 396 1HB ASN 49 HB2 ASN 49 23.000 14.948 -7.096 397 2HB ASN 49 HB1 ASN 49 22.823 15.471 -5.420 398 1HD2 ASN 49 HD21 ASN 49 25.357 14.846 -6.921 399 2HD2 ASN 49 HD22 ASN 49 26.121 13.633 -6.012 400 H ALA 50 HN ALA 50 20.661 14.468 -8.135 401 HA ALA 50 HA ALA 50 18.993 16.574 -7.197 402 1HB ALA 50 HB1 ALA 50 18.744 14.955 -9.744 403 2HB ALA 50 HB2 ALA 50 19.712 16.417 -9.545 404 3HB ALA 50 HB3 ALA 50 17.954 16.500 -9.425 405 H VAL 51 HN VAL 51 18.279 13.191 -8.036 406 HA VAL 51 HA VAL 51 15.492 13.237 -7.670 407 HB VAL 51 HB VAL 51 17.538 11.052 -7.258 408 1HG1 VAL 51 HG11 VAL 51 15.839 10.311 -5.780 409 2HG1 VAL 51 HG12 VAL 51 15.494 9.471 -7.288 410 3HG1 VAL 51 HG13 VAL 51 14.548 10.892 -6.833 411 1HG2 VAL 51 HG21 VAL 51 15.324 11.226 -9.329 412 2HG2 VAL 51 HG22 VAL 51 16.796 10.266 -9.396 413 3HG2 VAL 51 HG23 VAL 51 16.881 12.011 -9.585 414 H VAL 52 HN VAL 52 18.063 12.709 -5.266 415 HA VAL 52 HA VAL 52 16.170 12.398 -3.110 416 HB VAL 52 HB VAL 52 18.173 12.487 -1.647 417 1HG1 VAL 52 HG11 VAL 52 17.516 10.341 -2.611 418 2HG1 VAL 52 HG12 VAL 52 19.276 10.457 -2.636 419 3HG1 VAL 52 HG13 VAL 52 18.355 10.730 -4.114 420 1HG2 VAL 52 HG21 VAL 52 19.518 14.077 -2.958 421 2HG2 VAL 52 HG22 VAL 52 19.572 12.904 -4.256 422 3HG2 VAL 52 HG23 VAL 52 20.396 12.560 -2.759 423 H LEU 53 HN LEU 53 18.114 15.020 -4.433 424 HA LEU 53 HA LEU 53 17.784 16.831 -2.319 425 1HB LEU 53 HB2 LEU 53 19.205 16.972 -4.595 426 2HB LEU 53 HB1 LEU 53 17.834 17.884 -5.156 427 HG LEU 53 HG LEU 53 19.479 19.409 -4.267 428 1HD1 LEU 53 HD11 LEU 53 18.107 20.636 -2.768 429 2HD1 LEU 53 HD12 LEU 53 17.368 19.178 -2.122 430 3HD1 LEU 53 HD13 LEU 53 16.976 19.717 -3.756 431 1HD2 LEU 53 HD21 LEU 53 19.387 18.441 -1.436 432 2HD2 LEU 53 HD22 LEU 53 20.742 19.046 -2.382 433 3HD2 LEU 53 HD23 LEU 53 20.251 17.368 -2.540 434 H LYS 54 HN LYS 54 15.922 16.598 -5.346 435 HA LYS 54 HA LYS 54 13.997 18.537 -4.640 436 1HB LYS 54 HB2 LYS 54 12.697 17.593 -6.504 437 2HB LYS 54 HB1 LYS 54 14.379 17.851 -6.940 438 1HG LYS 54 HG2 LYS 54 14.344 15.664 -7.681 439 2HG LYS 54 HG1 LYS 54 14.500 15.258 -5.991 440 1HD LYS 54 HD2 LYS 54 12.657 13.958 -6.615 441 2HD LYS 54 HD1 LYS 54 11.869 15.385 -5.949 442 1HE LYS 54 HE2 LYS 54 11.693 16.323 -8.252 443 2HE LYS 54 HE1 LYS 54 12.413 14.841 -8.879 444 1HZ LYS 54 HZ1 LYS 54 10.061 14.660 -9.032 445 2HZ LYS 54 HZ2 LYS 54 9.855 15.100 -7.404 446 3HZ LYS 54 HZ3 LYS 54 10.577 13.614 -7.802 447 H ARG 55 HN ARG 55 14.134 15.031 -4.206 448 HA ARG 55 HA ARG 55 11.487 14.704 -3.262 449 1HB ARG 55 HB2 ARG 55 12.888 12.843 -4.073 450 2HB ARG 55 HB1 ARG 55 13.934 13.040 -2.670 451 1HG ARG 55 HG2 ARG 55 12.170 12.442 -1.153 452 2HG ARG 55 HG1 ARG 55 10.965 12.498 -2.439 453 1HD ARG 55 HD2 ARG 55 13.317 10.584 -2.471 454 2HD ARG 55 HD1 ARG 55 11.741 10.166 -1.797 455 HE ARG 55 HE ARG 55 11.191 11.099 -4.327 456 1HH1 ARG 55 HH21 ARG 55 13.232 8.675 -2.940 457 2HH1 ARG 55 HH22 ARG 55 13.142 7.618 -4.308 458 1HH2 ARG 55 HH11 ARG 55 11.065 9.719 -6.125 459 2HH2 ARG 55 HH12 ARG 55 11.915 8.210 -6.113 460 H ILE 56 HN ILE 56 14.565 15.313 -1.614 461 HA ILE 56 HA ILE 56 13.552 15.139 1.032 462 HB ILE 56 HB ILE 56 15.948 16.561 -0.148 463 1HG1 ILE 56 HG12 ILE 56 15.904 14.115 1.651 464 2HG1 ILE 56 HG11 ILE 56 15.769 13.968 -0.086 465 1HG2 ILE 56 HG21 ILE 56 15.067 16.309 2.747 466 2HG2 ILE 56 HG22 ILE 56 15.531 17.770 1.872 467 3HG2 ILE 56 HG23 ILE 56 16.755 16.583 2.305 468 1HD1 ILE 56 HD11 ILE 56 17.883 15.164 -0.379 469 2HD1 ILE 56 HD12 ILE 56 18.112 13.752 0.654 470 3HD1 ILE 56 HD13 ILE 56 18.016 15.363 1.367 471 H GLN 57 HN GLN 57 14.052 17.906 -1.159 472 HA GLN 57 HA GLN 57 13.305 19.966 0.555 473 1HB GLN 57 HB2 GLN 57 13.033 19.624 -2.440 474 2HB GLN 57 HB1 GLN 57 12.566 21.122 -1.637 475 1HG GLN 57 HG2 GLN 57 15.302 19.868 -1.306 476 2HG GLN 57 HG1 GLN 57 14.948 21.068 -2.543 477 1HE2 GLN 57 HE21 GLN 57 16.360 20.887 0.402 478 2HE2 GLN 57 HE22 GLN 57 15.928 22.398 1.042 479 H HIS 58 HN HIS 58 11.334 17.742 -1.323 480 HA HIS 58 HA HIS 58 8.865 19.059 -0.881 481 1HB HIS 58 HB2 HIS 58 8.244 17.476 -2.420 482 2HB HIS 58 HB1 HIS 58 9.785 16.655 -2.215 483 HD1 HIS 58 HD1 HIS 58 6.489 16.889 -0.294 484 HD2 HIS 58 HD2 HIS 58 9.426 14.084 -1.223 485 HE1 HIS 58 HE1 HIS 58 5.746 14.702 0.750 486 HE2 HIS 58 HE2 HIS 58 7.523 12.980 0.181 487 H LEU 59 HN LEU 59 10.742 16.707 0.922 488 HA LEU 59 HA LEU 59 8.706 15.904 2.685 489 1HB LEU 59 HB2 LEU 59 11.160 14.978 2.259 490 2HB LEU 59 HB1 LEU 59 11.580 16.030 3.600 491 HG LEU 59 HG LEU 59 11.111 13.811 4.469 492 1HD1 LEU 59 HD11 LEU 59 10.178 15.955 5.624 493 2HD1 LEU 59 HD12 LEU 59 9.682 14.379 6.209 494 3HD1 LEU 59 HD13 LEU 59 8.615 15.309 5.173 495 1HD2 LEU 59 HD21 LEU 59 9.348 12.480 3.898 496 2HD2 LEU 59 HD22 LEU 59 9.375 13.409 2.411 497 3HD2 LEU 59 HD23 LEU 59 8.214 13.802 3.684 498 H ASP 60 HN ASP 60 11.011 18.566 2.829 499 HA ASP 60 HA ASP 60 10.641 19.438 5.424 500 1HB ASP 60 HB2 ASP 60 10.962 21.061 2.888 501 2HB ASP 60 HB1 ASP 60 11.117 21.725 4.513 502 H GLU 61 HN GLU 61 8.447 19.660 2.700 503 HA GLU 61 HA GLU 61 6.687 21.624 3.679 504 1HB GLU 61 HB2 GLU 61 5.340 21.062 1.860 505 2HB GLU 61 HB1 GLU 61 6.852 20.322 1.341 506 1HG GLU 61 HG2 GLU 61 5.978 18.156 2.475 507 2HG GLU 61 HG1 GLU 61 4.422 18.964 2.559 508 H ALA 62 HN ALA 62 6.976 18.184 4.353 509 HA ALA 62 HA ALA 62 4.483 17.975 5.732 510 1HB ALA 62 HB1 ALA 62 6.034 16.117 4.620 511 2HB ALA 62 HB2 ALA 62 5.009 15.716 5.994 512 3HB ALA 62 HB3 ALA 62 6.713 16.037 6.241 513 H TYR 63 HN TYR 63 7.866 18.176 6.775 514 HA TYR 63 HA TYR 63 7.461 18.033 9.492 515 1HB TYR 63 HB2 TYR 63 9.741 18.141 9.301 516 2HB TYR 63 HB1 TYR 63 9.611 18.847 7.694 517 HD1 TYR 63 HD2 TYR 63 9.480 19.656 11.326 518 HD2 TYR 63 HD1 TYR 63 10.053 21.191 7.365 519 HE1 TYR 63 HE2 TYR 63 10.155 21.844 12.276 520 HE2 TYR 63 HE1 TYR 63 10.714 23.384 8.309 521 HH TYR 63 HH TYR 63 10.018 24.468 11.053 522 H ASN 64 HN ASN 64 7.149 20.774 7.292 523 HA ASN 64 HA ASN 64 6.818 22.787 9.277 524 1HB ASN 64 HB2 ASN 64 7.529 23.295 6.978 525 2HB ASN 64 HB1 ASN 64 5.957 22.768 6.377 526 1HD2 ASN 64 HD21 ASN 64 4.798 24.637 5.838 527 2HD2 ASN 64 HD22 ASN 64 4.698 26.023 6.812 528 H LYS 65 HN LYS 65 4.630 20.690 7.510 529 HA LYS 65 HA LYS 65 2.213 21.943 8.197 530 1HB LYS 65 HB2 LYS 65 2.924 19.089 7.518 531 2HB LYS 65 HB1 LYS 65 1.271 19.551 7.862 532 1HG LYS 65 HG2 LYS 65 2.818 21.171 5.827 533 2HG LYS 65 HG1 LYS 65 2.215 19.594 5.352 534 1HD LYS 65 HD2 LYS 65 -0.061 20.245 5.990 535 2HD LYS 65 HD1 LYS 65 0.525 21.819 6.520 536 1HE LYS 65 HE2 LYS 65 1.301 22.309 4.239 537 2HE LYS 65 HE1 LYS 65 0.726 20.727 3.703 538 1HZ LYS 65 HZ1 LYS 65 -0.791 22.777 3.432 539 2HZ LYS 65 HZ2 LYS 65 -1.098 22.569 5.091 540 3HZ LYS 65 HZ3 LYS 65 -1.461 21.322 3.995 541 H VAL 66 HN VAL 66 4.181 19.546 9.913 542 HA VAL 66 HA VAL 66 2.320 19.000 11.954 543 HB VAL 66 HB VAL 66 5.357 18.812 12.011 544 1HG1 VAL 66 HG11 VAL 66 3.213 17.731 13.855 545 2HG1 VAL 66 HG12 VAL 66 4.540 18.805 14.262 546 3HG1 VAL 66 HG13 VAL 66 4.873 17.135 13.836 547 1HG2 VAL 66 HG21 VAL 66 3.155 16.834 11.329 548 2HG2 VAL 66 HG22 VAL 66 4.834 16.378 11.619 549 3HG2 VAL 66 HG23 VAL 66 4.428 17.425 10.256 550 H LYS 67 HN LYS 67 4.998 21.288 11.758 551 HA LYS 67 HA LYS 67 4.820 22.398 14.311 552 1HB LYS 67 HB2 LYS 67 5.710 23.649 11.752 553 2HB LYS 67 HB1 LYS 67 6.075 24.217 13.370 554 1HG LYS 67 HG2 LYS 67 6.708 21.328 12.995 555 2HG LYS 67 HG1 LYS 67 7.608 22.365 11.939 556 1HD LYS 67 HD2 LYS 67 7.426 22.795 14.940 557 2HD LYS 67 HD1 LYS 67 8.694 21.812 14.192 558 1HE LYS 67 HE2 LYS 67 9.173 23.974 12.750 559 2HE LYS 67 HE1 LYS 67 8.265 24.814 14.004 560 1HZ LYS 67 HZ1 LYS 67 9.891 24.532 15.501 561 2HZ LYS 67 HZ2 LYS 67 10.882 24.315 14.139 562 3HZ LYS 67 HZ3 LYS 67 10.276 22.966 14.974 563 H ARG 68 HN ARG 68 3.312 23.290 11.264 564 HA ARG 68 HA ARG 68 2.057 25.646 12.199 565 1HB ARG 68 HB2 ARG 68 2.507 24.989 9.774 566 2HB ARG 68 HB1 ARG 68 1.128 23.899 9.895 567 1HG ARG 68 HG2 ARG 68 -0.338 25.768 10.456 568 2HG ARG 68 HG1 ARG 68 1.028 26.877 10.452 569 1HD ARG 68 HD2 ARG 68 1.403 26.403 8.065 570 2HD ARG 68 HD1 ARG 68 0.040 25.288 8.075 571 HE ARG 68 HE ARG 68 -1.424 27.107 8.086 572 1HH1 ARG 68 HH21 ARG 68 1.826 28.095 8.744 573 2HH1 ARG 68 HH22 ARG 68 1.484 29.788 8.604 574 1HH2 ARG 68 HH11 ARG 68 -1.877 29.322 7.894 575 2HH2 ARG 68 HH12 ARG 68 -0.611 30.482 8.123 576 H GLY 69 HN GLY 69 1.448 22.358 12.751 577 1HA GLY 69 HA2 GLY 69 -1.429 22.676 13.248 578 2HA GLY 69 HA1 GLY 69 -0.492 21.188 13.334 579 H GLU 70 HN GLU 70 1.326 21.324 15.076 580 HA GLU 70 HA GLU 70 0.178 21.287 17.579 581 1HB GLU 70 HB2 GLU 70 2.569 21.508 18.419 582 2HB GLU 70 HB1 GLU 70 2.282 20.219 17.260 583 1HG GLU 70 HG2 GLU 70 3.693 21.101 15.768 584 2HG GLU 70 HG1 GLU 70 2.972 22.685 15.884 585 H SER 71 HN SER 71 2.820 23.502 17.583 586 HA SER 71 HA SER 71 1.439 25.419 19.148 587 1HB SER 71 HB2 SER 71 3.855 25.167 19.272 588 2HB SER 71 HB1 SER 71 4.014 25.643 17.585 589 HG SER 71 HG SER 71 2.561 27.382 19.140 590 H LYS 72 HN LYS 72 -0.414 26.038 18.043 591 HA LYS 72 HA LYS 72 -0.534 26.941 15.388 592 1HB LYS 72 HB2 LYS 72 -2.215 27.616 17.811 593 2HB LYS 72 HB1 LYS 72 -2.637 28.107 16.172 594 1HG LYS 72 HG2 LYS 72 -2.032 25.187 16.715 595 2HG LYS 72 HG1 LYS 72 -3.600 25.824 17.193 596 1HD LYS 72 HD2 LYS 72 -2.620 26.381 14.378 597 2HD LYS 72 HD1 LYS 72 -3.256 24.783 14.756 598 1HE LYS 72 HE2 LYS 72 -5.375 25.702 15.441 599 2HE LYS 72 HE1 LYS 72 -4.756 27.350 15.349 600 1HZ LYS 72 HZ1 LYS 72 -5.108 27.417 13.172 601 2HZ LYS 72 HZ2 LYS 72 -6.018 25.994 13.353 602 3HZ LYS 72 HZ3 LYS 72 -4.379 25.907 12.912 603 H LEU 73 HN LEU 73 0.160 28.621 18.415 604 HA LEU 73 HA LEU 73 1.264 30.868 16.889 605 1HB LEU 73 HB2 LEU 73 -1.149 31.347 17.583 606 2HB LEU 73 HB1 LEU 73 -0.571 31.302 19.244 607 HG LEU 73 HG LEU 73 1.246 33.051 18.344 608 1HD1 LEU 73 HD11 LEU 73 0.333 34.532 16.604 609 2HD1 LEU 73 HD12 LEU 73 -1.050 33.463 16.398 610 3HD1 LEU 73 HD13 LEU 73 0.564 32.908 15.965 611 1HD2 LEU 73 HD21 LEU 73 -1.653 33.773 18.872 612 2HD2 LEU 73 HD22 LEU 73 -0.307 34.913 18.913 613 3HD2 LEU 73 HD23 LEU 73 -0.378 33.592 20.078 614 H GLU 74 HN GLU 74 0.704 29.645 20.168 615 HA GLU 74 HA GLU 74 2.914 30.931 21.353 616 1HB GLU 74 HB2 GLU 74 2.623 29.091 23.112 617 2HB GLU 74 HB1 GLU 74 1.209 30.091 22.784 618 1HG GLU 74 HG2 GLU 74 0.207 28.397 21.410 619 2HG GLU 74 HG1 GLU 74 1.679 27.434 21.401 620 H HIS 75 HN HIS 75 4.325 30.448 19.392 621 HA HIS 75 HA HIS 75 5.740 27.854 19.639 622 1HB HIS 75 HB2 HIS 75 4.858 28.424 17.398 623 2HB HIS 75 HB1 HIS 75 5.810 29.910 17.414 624 HD1 HIS 75 HD1 HIS 75 6.341 26.144 17.698 625 HD2 HIS 75 HD2 HIS 75 8.423 29.569 16.545 626 HE1 HIS 75 HE1 HIS 75 8.570 25.356 16.788 627 HE2 HIS 75 HE2 HIS 75 9.850 27.432 16.081 628 H HIS 76 HN HIS 76 6.423 29.239 21.715 629 HA HIS 76 HA HIS 76 8.143 30.264 22.838 630 1HB HIS 76 HB2 HIS 76 9.739 29.423 20.407 631 2HB HIS 76 HB1 HIS 76 10.382 29.815 22.001 632 HD1 HIS 76 HD1 HIS 76 9.418 28.218 24.013 633 HD2 HIS 76 HD2 HIS 76 9.046 26.757 20.126 634 HE1 HIS 76 HE1 HIS 76 9.009 25.727 24.219 635 HE2 HIS 76 HE2 HIS 76 8.782 24.822 21.859 636 H HIS 77 HN HIS 77 7.066 32.335 22.495 637 HA HIS 77 HA HIS 77 7.902 34.052 20.324 638 1HB HIS 77 HB2 HIS 77 6.386 34.642 22.886 639 2HB HIS 77 HB1 HIS 77 6.619 35.787 21.569 640 HD1 HIS 77 HD1 HIS 77 5.828 34.688 19.102 641 HD2 HIS 77 HD2 HIS 77 4.034 33.242 22.576 642 HE1 HIS 77 HE1 HIS 77 3.672 33.572 18.383 643 HE2 HIS 77 HE2 HIS 77 2.566 32.686 20.490 644 H HIS 78 HN HIS 78 8.243 36.470 21.742 645 HA HIS 78 HA HIS 78 9.955 37.776 22.543 646 1HB HIS 78 HB2 HIS 78 10.390 35.381 24.349 647 2HB HIS 78 HB1 HIS 78 11.020 37.004 24.617 648 HD1 HIS 78 HD1 HIS 78 7.822 35.024 24.647 649 HD2 HIS 78 HD2 HIS 78 9.104 38.895 25.514 650 HE1 HIS 78 HE1 HIS 78 5.898 36.167 25.833 651 HE2 HIS 78 HE2 HIS 78 6.664 38.528 26.369 652 H HIS 79 HN HIS 79 12.414 37.754 23.032 653 HA HIS 79 HA HIS 79 13.726 36.654 20.721 654 1HB HIS 79 HB2 HIS 79 14.909 38.008 23.158 655 2HB HIS 79 HB1 HIS 79 15.725 37.731 21.619 656 HD1 HIS 79 HD1 HIS 79 14.471 38.897 19.471 657 HD2 HIS 79 HD2 HIS 79 13.493 40.384 23.241 658 HE1 HIS 79 HE1 HIS 79 13.396 41.159 19.093 659 HE2 HIS 79 HE2 HIS 79 12.795 42.078 21.382 660 H HIS 80 HN HIS 80 15.429 35.140 20.689 661 HA HIS 80 HA HIS 80 15.062 32.797 22.134 662 1HB HIS 80 HB2 HIS 80 17.632 33.786 20.876 663 2HB HIS 80 HB1 HIS 80 17.263 32.115 21.299 664 HD1 HIS 80 HD1 HIS 80 14.600 31.543 20.221 665 HD2 HIS 80 HD2 HIS 80 17.205 34.073 18.173 666 HE1 HIS 80 HE1 HIS 80 13.819 31.577 17.812 667 HE2 HIS 80 HE2 HIS 80 15.398 33.116 16.550 668 1H MET 1 HT1 MET 1 47.140 28.107 15.252 669 2H MET 1 HT2 MET 1 45.869 28.368 16.347 670 3H MET 1 HT3 MET 1 45.552 28.268 14.682 671 HA MET 1 HA MET 1 46.696 25.920 14.997 672 1HB MET 1 HB2 MET 1 45.367 26.592 17.643 673 2HB MET 1 HB1 MET 1 45.892 24.982 17.161 674 1HG MET 1 HG2 MET 1 47.741 27.381 17.325 675 2HG MET 1 HG1 MET 1 47.550 26.205 18.621 676 1HE MET 1 HE1 MET 1 48.848 24.174 18.873 677 2HE MET 1 HE2 MET 1 49.272 23.083 17.558 678 3HE MET 1 HE3 MET 1 47.583 23.467 17.861 679 H SER 2 HN SER 2 43.695 27.094 16.548 680 HA SER 2 HA SER 2 42.040 25.184 15.242 681 1HB SER 2 HB2 SER 2 41.376 26.202 17.357 682 2HB SER 2 HB1 SER 2 41.334 27.794 16.607 683 HG SER 2 HG SER 2 39.866 25.723 15.437 684 H GLU 3 HN GLU 3 40.589 25.442 13.537 685 HA GLU 3 HA GLU 3 40.341 27.887 12.040 686 1HB GLU 3 HB2 GLU 3 41.419 27.042 9.979 687 2HB GLU 3 HB1 GLU 3 42.582 27.236 11.290 688 1HG GLU 3 HG2 GLU 3 42.319 24.801 11.816 689 2HG GLU 3 HG1 GLU 3 41.286 24.652 10.398 690 H LEU 4 HN LEU 4 38.691 27.844 10.613 691 HA LEU 4 HA LEU 4 36.670 25.970 11.024 692 1HB LEU 4 HB2 LEU 4 36.156 28.189 10.175 693 2HB LEU 4 HB1 LEU 4 37.116 27.896 8.729 694 HG LEU 4 HG LEU 4 35.572 26.127 8.036 695 1HD1 LEU 4 HD11 LEU 4 33.336 25.995 9.338 696 2HD1 LEU 4 HD12 LEU 4 34.227 26.721 10.674 697 3HD1 LEU 4 HD13 LEU 4 34.724 25.160 10.020 698 1HD2 LEU 4 HD21 LEU 4 34.191 28.715 8.755 699 2HD2 LEU 4 HD22 LEU 4 33.583 27.536 7.592 700 3HD2 LEU 4 HD23 LEU 4 35.098 28.382 7.278 701 H PHE 5 HN PHE 5 39.350 26.022 8.792 702 HA PHE 5 HA PHE 5 38.477 24.263 6.833 703 1HB PHE 5 HB2 PHE 5 40.643 25.501 6.798 704 2HB PHE 5 HB1 PHE 5 41.265 24.382 8.010 705 HD1 PHE 5 HD1 PHE 5 40.065 24.701 4.521 706 HD2 PHE 5 HD2 PHE 5 41.861 22.097 7.427 707 HE1 PHE 5 HE1 PHE 5 40.641 23.092 2.724 708 HE2 PHE 5 HE2 PHE 5 42.436 20.488 5.628 709 HZ PHE 5 HZ PHE 5 41.826 20.986 3.277 710 H SER 6 HN SER 6 39.856 23.585 10.019 711 HA SER 6 HA SER 6 39.941 20.757 9.685 712 1HB SER 6 HB2 SER 6 39.698 22.147 12.366 713 2HB SER 6 HB1 SER 6 40.615 20.703 11.956 714 HG SER 6 HG SER 6 41.402 22.756 10.429 715 H VAL 7 HN VAL 7 38.323 19.332 9.729 716 HA VAL 7 HA VAL 7 35.616 20.122 10.077 717 HB VAL 7 HB VAL 7 36.290 17.200 10.393 718 1HG1 VAL 7 HG11 VAL 7 34.471 16.895 8.864 719 2HG1 VAL 7 HG12 VAL 7 34.443 18.610 8.459 720 3HG1 VAL 7 HG13 VAL 7 33.971 18.079 10.073 721 1HG2 VAL 7 HG21 VAL 7 38.059 17.729 8.859 722 2HG2 VAL 7 HG22 VAL 7 37.026 18.817 7.931 723 3HG2 VAL 7 HG23 VAL 7 36.746 17.077 7.881 724 HA PRO 8 HA PRO 8 36.244 17.731 14.371 725 1HB PRO 8 HB2 PRO 8 38.942 18.981 14.908 726 2HB PRO 8 HB1 PRO 8 38.321 17.394 15.417 727 1HG PRO 8 HG2 PRO 8 40.054 17.563 13.420 728 2HG PRO 8 HG1 PRO 8 38.679 16.442 13.309 729 1HD PRO 8 HD2 PRO 8 39.030 19.106 11.998 730 2HD PRO 8 HD1 PRO 8 38.311 17.646 11.337 731 H TYR 9 HN TYR 9 37.155 20.938 13.356 732 HA TYR 9 HA TYR 9 36.822 22.328 15.786 733 1HB TYR 9 HB2 TYR 9 37.890 23.382 13.865 734 2HB TYR 9 HB1 TYR 9 36.408 23.237 12.929 735 HD1 TYR 9 HD2 TYR 9 37.571 24.569 16.239 736 HD2 TYR 9 HD1 TYR 9 34.983 25.137 12.851 737 HE1 TYR 9 HE2 TYR 9 36.794 26.724 17.188 738 HE2 TYR 9 HE1 TYR 9 34.215 27.289 13.799 739 HH TYR 9 HH TYR 9 35.537 28.519 16.880 740 H PHE 10 HN PHE 10 34.533 21.448 13.229 741 HA PHE 10 HA PHE 10 32.312 22.834 14.319 742 1HB PHE 10 HB2 PHE 10 32.834 21.053 12.072 743 2HB PHE 10 HB1 PHE 10 31.353 20.533 12.861 744 HD1 PHE 10 HD2 PHE 10 32.960 23.865 12.171 745 HD2 PHE 10 HD1 PHE 10 29.447 21.422 11.767 746 HE1 PHE 10 HE2 PHE 10 31.768 25.750 11.087 747 HE2 PHE 10 HE1 PHE 10 28.267 23.307 10.677 748 HZ PHE 10 HZ PHE 10 29.419 25.466 10.339 749 H ILE 11 HN ILE 11 33.593 19.584 14.830 750 HA ILE 11 HA ILE 11 31.408 18.599 16.316 751 HB ILE 11 HB ILE 11 34.309 17.809 16.569 752 1HG1 ILE 11 HG12 ILE 11 32.127 16.841 14.681 753 2HG1 ILE 11 HG11 ILE 11 33.557 17.754 14.222 754 1HG2 ILE 11 HG21 ILE 11 32.703 16.966 18.340 755 2HG2 ILE 11 HG22 ILE 11 33.426 15.705 17.370 756 3HG2 ILE 11 HG23 ILE 11 31.772 16.211 17.050 757 1HD1 ILE 11 HD11 ILE 11 34.054 15.471 13.743 758 2HD1 ILE 11 HD12 ILE 11 33.435 14.941 15.305 759 3HD1 ILE 11 HD13 ILE 11 34.942 15.858 15.219 760 H GLU 12 HN GLU 12 34.407 20.215 17.292 761 HA GLU 12 HA GLU 12 34.204 20.041 20.047 762 1HB GLU 12 HB2 GLU 12 35.220 22.290 18.296 763 2HB GLU 12 HB1 GLU 12 35.394 22.303 20.051 764 1HG GLU 12 HG2 GLU 12 36.677 20.238 19.986 765 2HG GLU 12 HG1 GLU 12 36.416 20.085 18.256 766 H ASN 13 HN ASN 13 32.198 21.823 17.857 767 HA ASN 13 HA ASN 13 31.166 23.733 19.715 768 1HB ASN 13 HB2 ASN 13 29.813 22.644 17.238 769 2HB ASN 13 HB1 ASN 13 29.477 24.166 18.051 770 1HD2 ASN 13 HD21 ASN 13 32.640 24.184 18.471 771 2HD2 ASN 13 HD22 ASN 13 33.182 24.859 17.010 772 H LEU 14 HN LEU 14 30.184 20.499 18.695 773 HA LEU 14 HA LEU 14 27.744 20.466 20.211 774 1HB LEU 14 HB2 LEU 14 29.367 18.228 18.962 775 2HB LEU 14 HB1 LEU 14 27.800 18.013 19.727 776 HG LEU 14 HG LEU 14 27.182 20.066 17.969 777 1HD1 LEU 14 HD11 LEU 14 29.103 18.334 16.406 778 2HD1 LEU 14 HD12 LEU 14 29.556 19.909 17.059 779 3HD1 LEU 14 HD13 LEU 14 28.265 19.784 15.875 780 1HD2 LEU 14 HD21 LEU 14 27.212 17.165 17.102 781 2HD2 LEU 14 HD22 LEU 14 26.113 18.431 16.581 782 3HD2 LEU 14 HD23 LEU 14 26.028 17.831 18.227 783 H LYS 15 HN LYS 15 31.059 19.430 20.776 784 HA LYS 15 HA LYS 15 30.646 17.872 23.057 785 1HB LYS 15 HB2 LYS 15 32.796 18.073 21.796 786 2HB LYS 15 HB1 LYS 15 33.012 19.677 22.497 787 1HG LYS 15 HG2 LYS 15 33.009 18.732 24.750 788 2HG LYS 15 HG1 LYS 15 32.684 17.125 24.101 789 1HD LYS 15 HD2 LYS 15 34.820 17.196 22.866 790 2HD LYS 15 HD1 LYS 15 35.149 18.795 23.539 791 1HE LYS 15 HE2 LYS 15 35.089 17.861 25.814 792 2HE LYS 15 HE1 LYS 15 34.742 16.263 25.156 793 1HZ LYS 15 HZ1 LYS 15 36.873 15.945 24.696 794 2HZ LYS 15 HZ2 LYS 15 37.219 17.343 25.596 795 3HZ LYS 15 HZ3 LYS 15 37.014 17.442 23.912 796 H GLN 16 HN GLN 16 30.775 21.350 22.616 797 HA GLN 16 HA GLN 16 30.895 21.982 25.425 798 1HB GLN 16 HB2 GLN 16 31.682 23.497 23.568 799 2HB GLN 16 HB1 GLN 16 29.990 23.758 23.146 800 1HG GLN 16 HG2 GLN 16 29.544 24.614 25.411 801 2HG GLN 16 HG1 GLN 16 31.223 24.323 25.859 802 1HE2 GLN 16 HE21 GLN 16 30.107 26.943 25.995 803 2HE2 GLN 16 HE22 GLN 16 30.851 27.905 24.811 804 H HIS 17 HN HIS 17 28.365 21.393 23.076 805 HA HIS 17 HA HIS 17 26.219 22.540 24.551 806 1HB HIS 17 HB2 HIS 17 26.245 20.351 22.457 807 2HB HIS 17 HB1 HIS 17 24.789 21.109 23.079 808 HD1 HIS 17 HD1 HIS 17 24.911 21.636 20.255 809 HD2 HIS 17 HD2 HIS 17 27.227 23.925 22.859 810 HE1 HIS 17 HE1 HIS 17 25.489 23.769 19.017 811 HE2 HIS 17 HE2 HIS 17 26.902 25.173 20.589 812 H ILE 18 HN ILE 18 27.333 19.161 24.231 813 HA ILE 18 HA ILE 18 25.488 18.139 26.166 814 HB ILE 18 HB ILE 18 26.708 16.069 25.950 815 1HG1 ILE 18 HG12 ILE 18 28.878 17.781 24.678 816 2HG1 ILE 18 HG11 ILE 18 29.016 16.809 26.139 817 1HG2 ILE 18 HG21 ILE 18 26.873 17.365 23.210 818 2HG2 ILE 18 HG22 ILE 18 25.332 17.067 23.989 819 3HG2 ILE 18 HG23 ILE 18 26.392 15.717 23.616 820 1HD1 ILE 18 HD11 ILE 18 30.048 15.484 24.493 821 2HD1 ILE 18 HD12 ILE 18 28.820 15.869 23.288 822 3HD1 ILE 18 HD13 ILE 18 28.428 14.791 24.634 823 H GLU 19 HN GLU 19 28.881 19.127 26.270 824 HA GLU 19 HA GLU 19 29.277 18.374 29.016 825 1HB GLU 19 HB2 GLU 19 31.091 18.610 27.247 826 2HB GLU 19 HB1 GLU 19 30.911 20.357 27.404 827 1HG GLU 19 HG2 GLU 19 32.712 19.730 28.862 828 2HG GLU 19 HG1 GLU 19 31.335 20.060 29.907 829 H MET 20 HN MET 20 28.897 21.522 27.368 830 HA MET 20 HA MET 20 28.521 22.866 29.951 831 1HB MET 20 HB2 MET 20 29.769 23.683 27.662 832 2HB MET 20 HB1 MET 20 28.193 24.409 27.390 833 1HG MET 20 HG2 MET 20 29.419 26.067 28.590 834 2HG MET 20 HG1 MET 20 28.390 25.312 29.803 835 1HE MET 20 HE1 MET 20 32.056 23.745 28.355 836 2HE MET 20 HE2 MET 20 32.873 25.062 29.186 837 3HE MET 20 HE3 MET 20 31.624 25.423 28.004 838 H ASN 21 HN ASN 21 26.766 23.008 26.843 839 HA ASN 21 HA ASN 21 24.530 22.889 26.366 840 1HB ASN 21 HB2 ASN 21 24.605 21.160 28.383 841 2HB ASN 21 HB1 ASN 21 23.806 22.446 29.274 842 1HD2 ASN 21 HD21 ASN 21 21.614 22.968 28.729 843 2HD2 ASN 21 HD22 ASN 21 20.699 22.015 27.664 844 H GLN 22 HN GLN 22 25.816 25.281 26.774 845 HA GLN 22 HA GLN 22 24.675 27.047 28.562 846 1HB GLN 22 HB2 GLN 22 25.796 27.409 25.782 847 2HB GLN 22 HB1 GLN 22 25.276 28.789 26.756 848 1HG GLN 22 HG2 GLN 22 27.315 26.742 27.668 849 2HG GLN 22 HG1 GLN 22 27.737 28.277 26.917 850 1HE2 GLN 22 HE21 GLN 22 27.653 26.941 29.887 851 2HE2 GLN 22 HE22 GLN 22 27.208 28.282 30.823 852 H SER 23 HN SER 23 23.512 25.896 25.450 853 HA SER 23 HA SER 23 20.800 26.662 26.072 854 1HB SER 23 HB2 SER 23 20.475 28.200 24.216 855 2HB SER 23 HB1 SER 23 21.744 28.819 25.268 856 HG SER 23 HG SER 23 21.985 27.495 22.774 857 H GLU 24 HN GLU 24 21.307 24.200 25.761 858 HA GLU 24 HA GLU 24 20.090 23.457 23.249 859 1HB GLU 24 HB2 GLU 24 22.667 23.717 22.850 860 2HB GLU 24 HB1 GLU 24 22.812 22.222 23.762 861 1HG GLU 24 HG2 GLU 24 22.666 21.528 21.481 862 2HG GLU 24 HG1 GLU 24 21.055 21.245 22.129 863 H ASP 25 HN ASP 25 21.645 20.765 23.827 864 HA ASP 25 HA ASP 25 20.318 19.865 26.273 865 1HB ASP 25 HB2 ASP 25 19.594 18.780 23.542 866 2HB ASP 25 HB1 ASP 25 19.132 18.036 25.071 867 H LYS 26 HN LYS 26 20.528 17.213 26.015 868 HA LYS 26 HA LYS 26 23.416 16.825 26.090 869 1HB LYS 26 HB2 LYS 26 21.831 15.838 27.755 870 2HB LYS 26 HB1 LYS 26 21.222 14.772 26.498 871 1HG LYS 26 HG2 LYS 26 23.515 13.855 26.188 872 2HG LYS 26 HG1 LYS 26 24.111 14.941 27.441 873 1HD LYS 26 HD2 LYS 26 22.567 13.881 29.073 874 2HD LYS 26 HD1 LYS 26 22.005 12.780 27.815 875 1HE LYS 26 HE2 LYS 26 23.712 11.658 29.146 876 2HE LYS 26 HE1 LYS 26 24.348 11.972 27.531 877 1HZ LYS 26 HZ1 LYS 26 25.535 12.707 29.850 878 2HZ LYS 26 HZ2 LYS 26 24.763 14.140 29.366 879 3HZ LYS 26 HZ3 LYS 26 25.867 13.375 28.327 880 H ILE 27 HN ILE 27 21.780 14.041 25.017 881 HA ILE 27 HA ILE 27 23.420 13.742 22.747 882 HB ILE 27 HB ILE 27 22.344 11.906 24.010 883 1HG1 ILE 27 HG12 ILE 27 21.579 11.904 21.070 884 2HG1 ILE 27 HG11 ILE 27 23.230 11.671 21.641 885 1HG2 ILE 27 HG21 ILE 27 19.821 12.637 22.492 886 2HG2 ILE 27 HG22 ILE 27 20.097 13.090 24.174 887 3HG2 ILE 27 HG23 ILE 27 20.017 11.389 23.723 888 1HD1 ILE 27 HD11 ILE 27 21.447 9.886 23.080 889 2HD1 ILE 27 HD12 ILE 27 22.846 9.521 22.075 890 3HD1 ILE 27 HD13 ILE 27 21.254 9.701 21.338 891 H HIS 28 HN HIS 28 20.127 14.946 23.164 892 HA HIS 28 HA HIS 28 19.391 15.065 20.459 893 1HB HIS 28 HB2 HIS 28 18.590 16.785 22.810 894 2HB HIS 28 HB1 HIS 28 17.814 16.880 21.234 895 HD1 HIS 28 HD1 HIS 28 18.242 14.606 24.206 896 HD2 HIS 28 HD2 HIS 28 16.108 14.699 20.626 897 HE1 HIS 28 HE1 HIS 28 16.552 12.723 24.330 898 HE2 HIS 28 HE2 HIS 28 15.243 12.766 22.154 899 H ALA 29 HN ALA 29 21.817 16.762 22.096 900 HA ALA 29 HA ALA 29 21.844 19.305 21.004 901 1HB ALA 29 HB1 ALA 29 24.331 19.171 21.187 902 2HB ALA 29 HB2 ALA 29 24.177 17.442 21.500 903 3HB ALA 29 HB3 ALA 29 23.501 18.608 22.632 904 H MET 30 HN MET 30 22.953 16.271 19.535 905 HA MET 30 HA MET 30 23.975 17.429 17.162 906 1HB MET 30 HB2 MET 30 23.797 15.148 16.242 907 2HB MET 30 HB1 MET 30 24.567 15.167 17.823 908 1HG MET 30 HG2 MET 30 23.055 13.470 18.262 909 2HG MET 30 HG1 MET 30 21.976 14.798 18.590 910 1HE MET 30 HE1 MET 30 20.089 11.807 16.811 911 2HE MET 30 HE2 MET 30 19.771 13.014 18.050 912 3HE MET 30 HE3 MET 30 21.217 12.024 18.151 913 H ASN 31 HN ASN 31 20.830 15.861 17.858 914 HA ASN 31 HA ASN 31 19.699 16.176 15.340 915 1HB ASN 31 HB2 ASN 31 18.622 14.912 17.150 916 2HB ASN 31 HB1 ASN 31 18.322 16.409 18.027 917 1HD2 ASN 31 HD21 ASN 31 15.995 16.223 17.901 918 2HD2 ASN 31 HD22 ASN 31 15.161 16.398 16.433 919 H SER 32 HN SER 32 19.978 18.513 17.985 920 HA SER 32 HA SER 32 18.402 20.541 16.645 921 1HB SER 32 HB2 SER 32 19.206 22.008 18.450 922 2HB SER 32 HB1 SER 32 18.575 20.491 19.084 923 HG SER 32 HG SER 32 20.692 19.749 19.278 924 H TYR 33 HN TYR 33 21.893 20.187 17.353 925 HA TYR 33 HA TYR 33 22.692 22.448 15.838 926 1HB TYR 33 HB2 TYR 33 24.103 21.481 17.576 927 2HB TYR 33 HB1 TYR 33 24.241 19.975 16.660 928 HD1 TYR 33 HD1 TYR 33 25.072 23.601 16.673 929 HD2 TYR 33 HD2 TYR 33 25.723 19.818 14.753 930 HE1 TYR 33 HE1 TYR 33 26.959 24.579 15.395 931 HE2 TYR 33 HE2 TYR 33 27.614 20.794 13.474 932 HH TYR 33 HH TYR 33 29.276 22.988 14.024 933 H TYR 34 HN TYR 34 22.323 19.024 15.059 934 HA TYR 34 HA TYR 34 23.575 19.036 12.534 935 1HB TYR 34 HB2 TYR 34 22.996 16.956 13.741 936 2HB TYR 34 HB1 TYR 34 21.282 17.296 13.485 937 HD1 TYR 34 HD2 TYR 34 20.293 17.160 11.225 938 HD2 TYR 34 HD1 TYR 34 24.425 16.205 11.931 939 HE1 TYR 34 HE2 TYR 34 20.424 16.083 8.996 940 HE2 TYR 34 HE1 TYR 34 24.554 15.134 9.697 941 HH TYR 34 HH TYR 34 21.996 15.426 7.363 942 H ARG 35 HN ARG 35 20.082 19.185 13.307 943 HA ARG 35 HA ARG 35 19.221 19.688 10.693 944 1HB ARG 35 HB2 ARG 35 17.108 20.315 11.639 945 2HB ARG 35 HB1 ARG 35 17.755 18.983 12.596 946 1HG ARG 35 HG2 ARG 35 18.630 20.658 14.209 947 2HG ARG 35 HG1 ARG 35 17.836 21.934 13.320 948 1HD ARG 35 HD2 ARG 35 15.679 20.795 13.670 949 2HD ARG 35 HD1 ARG 35 16.506 19.574 14.639 950 HE ARG 35 HE ARG 35 17.016 22.261 15.561 951 1HH1 ARG 35 HH21 ARG 35 14.824 19.584 15.590 952 2HH1 ARG 35 HH22 ARG 35 14.111 20.002 17.111 953 1HH2 ARG 35 HH11 ARG 35 16.080 22.823 17.555 954 2HH2 ARG 35 HH12 ARG 35 14.823 21.839 18.225 955 H SER 36 HN SER 36 20.646 21.737 13.087 956 HA SER 36 HA SER 36 19.736 24.240 12.013 957 1HB SER 36 HB2 SER 36 22.058 23.622 13.846 958 2HB SER 36 HB1 SER 36 21.482 25.234 13.462 959 HG SER 36 HG SER 36 19.349 24.032 14.156 960 H VAL 37 HN VAL 37 22.760 22.388 11.773 961 HA VAL 37 HA VAL 37 24.079 24.296 10.111 962 HB VAL 37 HB VAL 37 24.487 21.332 10.576 963 1HG1 VAL 37 HG11 VAL 37 26.080 23.213 8.811 964 2HG1 VAL 37 HG12 VAL 37 25.403 21.640 8.381 965 3HG1 VAL 37 HG13 VAL 37 26.778 21.737 9.478 966 1HG2 VAL 37 HG21 VAL 37 26.004 23.807 11.456 967 2HG2 VAL 37 HG22 VAL 37 26.518 22.150 11.749 968 3HG2 VAL 37 HG23 VAL 37 25.031 22.745 12.477 969 H VAL 38 HN VAL 38 22.858 21.056 9.199 970 HA VAL 38 HA VAL 38 23.036 21.247 6.472 971 HB VAL 38 HB VAL 38 21.217 19.629 6.322 972 1HG1 VAL 38 HG11 VAL 38 22.797 19.202 8.874 973 2HG1 VAL 38 HG12 VAL 38 23.411 18.898 7.252 974 3HG1 VAL 38 HG13 VAL 38 22.063 17.952 7.875 975 1HG2 VAL 38 HG21 VAL 38 19.499 20.536 7.703 976 2HG2 VAL 38 HG22 VAL 38 20.570 20.660 9.094 977 3HG2 VAL 38 HG23 VAL 38 20.005 19.076 8.552 978 H SER 39 HN SER 39 20.415 22.516 8.514 979 HA SER 39 HA SER 39 18.727 23.420 6.463 980 1HB SER 39 HB2 SER 39 17.868 23.380 8.692 981 2HB SER 39 HB1 SER 39 19.188 24.383 9.290 982 HG SER 39 HG SER 39 18.268 26.119 8.449 983 H THR 40 HN THR 40 21.453 24.985 8.119 984 HA THR 40 HA THR 40 21.176 27.502 6.828 985 HB THR 40 HB THR 40 23.624 26.223 8.070 986 HG1 THR 40 HG1 THR 40 22.395 26.531 9.751 987 1HG2 THR 40 HG21 THR 40 23.008 29.060 7.193 988 2HG2 THR 40 HG22 THR 40 24.357 28.042 6.683 989 3HG2 THR 40 HG23 THR 40 24.298 28.666 8.330 990 H LEU 41 HN LEU 41 23.205 24.668 6.174 991 HA LEU 41 HA LEU 41 24.598 25.728 3.970 992 1HB LEU 41 HB2 LEU 41 24.007 22.981 5.017 993 2HB LEU 41 HB1 LEU 41 24.628 23.081 3.375 994 HG LEU 41 HG LEU 41 26.422 22.778 5.077 995 1HD1 LEU 41 HD11 LEU 41 27.898 24.013 3.855 996 2HD1 LEU 41 HD12 LEU 41 27.051 25.532 4.123 997 3HD1 LEU 41 HD13 LEU 41 26.511 24.431 2.861 998 1HD2 LEU 41 HD21 LEU 41 25.783 25.588 6.030 999 2HD2 LEU 41 HD22 LEU 41 26.885 24.420 6.746 1000 3HD2 LEU 41 HD23 LEU 41 25.156 24.154 6.829 1001 H VAL 42 HN VAL 42 21.457 24.141 4.191 1002 HA VAL 42 HA VAL 42 21.102 24.110 1.306 1003 HB VAL 42 HB VAL 42 19.188 23.542 3.589 1004 1HG1 VAL 42 HG11 VAL 42 18.882 23.311 0.573 1005 2HG1 VAL 42 HG12 VAL 42 17.853 24.201 1.697 1006 3HG1 VAL 42 HG13 VAL 42 17.846 22.440 1.706 1007 1HG2 VAL 42 HG21 VAL 42 20.536 21.644 1.630 1008 2HG2 VAL 42 HG22 VAL 42 19.619 21.219 3.077 1009 3HG2 VAL 42 HG23 VAL 42 21.190 21.999 3.228 1010 H GLN 43 HN GLN 43 20.058 26.088 4.043 1011 HA GLN 43 HA GLN 43 18.165 27.675 2.697 1012 1HB GLN 43 HB2 GLN 43 18.425 27.626 5.157 1013 2HB GLN 43 HB1 GLN 43 19.966 28.465 5.001 1014 1HG GLN 43 HG2 GLN 43 18.889 30.425 4.112 1015 2HG GLN 43 HG1 GLN 43 17.352 29.578 3.945 1016 1HE2 GLN 43 HE21 GLN 43 17.629 32.005 5.460 1017 2HE2 GLN 43 HE22 GLN 43 17.354 31.637 7.094 1018 H ASP 44 HN ASP 44 21.505 27.458 2.246 1019 HA ASP 44 HA ASP 44 21.493 29.881 0.559 1020 1HB ASP 44 HB2 ASP 44 23.562 29.262 2.680 1021 2HB ASP 44 HB1 ASP 44 23.732 30.504 1.438 1022 H GLN 45 HN GLN 45 23.300 29.930 -0.925 1023 HA GLN 45 HA GLN 45 24.763 28.994 -2.424 1024 1HB GLN 45 HB2 GLN 45 25.793 27.917 -0.332 1025 2HB GLN 45 HB1 GLN 45 24.831 26.491 -0.692 1026 1HG GLN 45 HG2 GLN 45 25.885 26.209 -2.819 1027 2HG GLN 45 HG1 GLN 45 26.763 27.724 -2.646 1028 1HE2 GLN 45 HE21 GLN 45 28.915 27.008 -2.450 1029 2HE2 GLN 45 HE22 GLN 45 29.438 25.892 -1.283 1030 H LEU 46 HN LEU 46 24.830 27.273 -4.081 1031 HA LEU 46 HA LEU 46 22.959 25.246 -4.344 1032 1HB LEU 46 HB2 LEU 46 21.758 27.865 -4.702 1033 2HB LEU 46 HB1 LEU 46 21.763 27.096 -6.273 1034 HG LEU 46 HG LEU 46 20.719 25.680 -3.788 1035 1HD1 LEU 46 HD11 LEU 46 19.406 27.710 -4.109 1036 2HD1 LEU 46 HD12 LEU 46 18.461 26.308 -4.611 1037 3HD1 LEU 46 HD13 LEU 46 19.213 27.345 -5.824 1038 1HD2 LEU 46 HD21 LEU 46 19.605 24.258 -5.458 1039 2HD2 LEU 46 HD22 LEU 46 21.337 24.284 -5.777 1040 3HD2 LEU 46 HD23 LEU 46 20.243 25.253 -6.762 1041 H THR 47 HN THR 47 25.704 26.171 -5.041 1042 HA THR 47 HA THR 47 25.960 26.415 -7.835 1043 HB THR 47 HB THR 47 27.813 27.001 -6.412 1044 HG1 THR 47 HG1 THR 47 28.311 24.652 -7.916 1045 1HG2 THR 47 HG21 THR 47 27.327 25.445 -4.571 1046 2HG2 THR 47 HG22 THR 47 28.999 25.294 -5.094 1047 3HG2 THR 47 HG23 THR 47 27.812 24.092 -5.584 1048 H LYS 48 HN LYS 48 25.596 23.663 -5.724 1049 HA LYS 48 HA LYS 48 24.825 21.949 -7.851 1050 1HB LYS 48 HB2 LYS 48 27.360 22.052 -8.122 1051 2HB LYS 48 HB1 LYS 48 27.463 21.261 -6.564 1052 1HG LYS 48 HG2 LYS 48 27.535 19.405 -7.983 1053 2HG LYS 48 HG1 LYS 48 25.811 19.491 -7.651 1054 1HD LYS 48 HD2 LYS 48 25.598 20.906 -9.781 1055 2HD LYS 48 HD1 LYS 48 27.277 20.502 -10.110 1056 1HE LYS 48 HE2 LYS 48 25.100 18.440 -9.669 1057 2HE LYS 48 HE1 LYS 48 25.633 18.996 -11.257 1058 1HZ LYS 48 HZ1 LYS 48 27.004 17.303 -9.328 1059 2HZ LYS 48 HZ2 LYS 48 27.967 18.416 -10.176 1060 3HZ LYS 48 HZ3 LYS 48 27.043 17.269 -11.023 1061 H ASN 49 HN ASN 49 23.382 20.622 -6.966 1062 HA ASN 49 HA ASN 49 22.734 20.416 -4.306 1063 1HB ASN 49 HB2 ASN 49 21.712 18.168 -4.925 1064 2HB ASN 49 HB1 ASN 49 21.223 19.531 -5.932 1065 1HD2 ASN 49 HD21 ASN 49 24.011 17.210 -5.920 1066 2HD2 ASN 49 HD22 ASN 49 23.923 16.897 -7.585 1067 H ALA 50 HN ALA 50 25.276 18.733 -6.044 1068 HA ALA 50 HA ALA 50 25.796 16.772 -3.996 1069 1HB ALA 50 HB1 ALA 50 26.454 16.440 -6.369 1070 2HB ALA 50 HB2 ALA 50 27.820 16.276 -5.265 1071 3HB ALA 50 HB3 ALA 50 27.621 17.752 -6.207 1072 H VAL 51 HN VAL 51 27.331 19.838 -4.953 1073 HA VAL 51 HA VAL 51 29.461 19.897 -3.162 1074 HB VAL 51 HB VAL 51 27.722 22.073 -4.330 1075 1HG1 VAL 51 HG11 VAL 51 29.919 22.427 -2.270 1076 2HG1 VAL 51 HG12 VAL 51 28.310 23.150 -2.291 1077 3HG1 VAL 51 HG13 VAL 51 29.533 23.705 -3.423 1078 1HG2 VAL 51 HG21 VAL 51 30.712 21.662 -4.668 1079 2HG2 VAL 51 HG22 VAL 51 29.599 22.520 -5.731 1080 3HG2 VAL 51 HG23 VAL 51 29.548 20.762 -5.637 1081 H VAL 52 HN VAL 52 26.068 20.833 -2.559 1082 HA VAL 52 HA VAL 52 26.587 21.577 0.187 1083 HB VAL 52 HB VAL 52 24.089 21.683 0.341 1084 1HG1 VAL 52 HG11 VAL 52 25.431 23.023 -2.034 1085 2HG1 VAL 52 HG12 VAL 52 25.347 23.642 -0.386 1086 3HG1 VAL 52 HG13 VAL 52 23.881 23.523 -1.357 1087 1HG2 VAL 52 HG21 VAL 52 23.590 19.864 -1.257 1088 2HG2 VAL 52 HG22 VAL 52 24.272 20.829 -2.563 1089 3HG2 VAL 52 HG23 VAL 52 22.809 21.364 -1.752 1090 H LEU 53 HN LEU 53 25.533 18.702 -1.503 1091 HA LEU 53 HA LEU 53 24.571 17.248 0.707 1092 1HB LEU 53 HB2 LEU 53 24.324 16.723 -1.802 1093 2HB LEU 53 HB1 LEU 53 25.921 16.006 -1.693 1094 HG LEU 53 HG LEU 53 24.786 14.749 0.411 1095 1HD1 LEU 53 HD11 LEU 53 22.427 15.177 -1.427 1096 2HD1 LEU 53 HD12 LEU 53 22.631 15.987 0.126 1097 3HD1 LEU 53 HD13 LEU 53 22.456 14.235 0.063 1098 1HD2 LEU 53 HD21 LEU 53 25.768 13.561 -1.462 1099 2HD2 LEU 53 HD22 LEU 53 24.391 13.970 -2.488 1100 3HD2 LEU 53 HD23 LEU 53 24.181 12.875 -1.119 1101 H LYS 54 HN LYS 54 27.789 17.526 -0.713 1102 HA LYS 54 HA LYS 54 29.109 15.512 0.666 1103 1HB LYS 54 HB2 LYS 54 31.088 16.512 -0.097 1104 2HB LYS 54 HB1 LYS 54 29.917 17.282 -1.166 1105 1HG LYS 54 HG2 LYS 54 29.801 19.166 0.524 1106 2HG LYS 54 HG1 LYS 54 31.162 18.444 1.349 1107 1HD LYS 54 HD2 LYS 54 32.514 18.643 -0.683 1108 2HD LYS 54 HD1 LYS 54 31.147 19.388 -1.519 1109 1HE LYS 54 HE2 LYS 54 31.109 21.202 0.146 1110 2HE LYS 54 HE1 LYS 54 32.477 20.464 0.981 1111 1HZ LYS 54 HZ1 LYS 54 33.111 22.260 -0.557 1112 2HZ LYS 54 HZ2 LYS 54 32.516 21.333 -1.852 1113 3HZ LYS 54 HZ3 LYS 54 33.833 20.773 -0.935 1114 H ARG 55 HN ARG 55 28.277 18.774 1.708 1115 HA ARG 55 HA ARG 55 29.713 18.752 4.143 1116 1HB ARG 55 HB2 ARG 55 27.372 20.357 3.117 1117 2HB ARG 55 HB1 ARG 55 28.040 20.633 4.719 1118 1HG ARG 55 HG2 ARG 55 29.928 20.621 2.350 1119 2HG ARG 55 HG1 ARG 55 28.930 22.040 2.622 1120 1HD ARG 55 HD2 ARG 55 30.775 20.803 4.689 1121 2HD ARG 55 HD1 ARG 55 31.152 22.218 3.711 1122 HE ARG 55 HE ARG 55 28.751 22.817 4.914 1123 1HH1 ARG 55 HH21 ARG 55 31.902 21.843 5.951 1124 2HH1 ARG 55 HH22 ARG 55 31.822 22.696 7.456 1125 1HH2 ARG 55 HH11 ARG 55 28.640 23.945 6.879 1126 2HH2 ARG 55 HH12 ARG 55 29.972 23.887 7.982 1127 H ILE 56 HN ILE 56 26.413 17.854 3.259 1128 HA ILE 56 HA ILE 56 25.514 17.381 5.905 1129 HB ILE 56 HB ILE 56 24.529 16.168 3.315 1130 1HG1 ILE 56 HG12 ILE 56 23.630 18.689 4.760 1131 2HG1 ILE 56 HG11 ILE 56 24.618 18.673 3.307 1132 1HG2 ILE 56 HG21 ILE 56 23.654 15.016 5.273 1133 2HG2 ILE 56 HG22 ILE 56 22.384 16.023 4.604 1134 3HG2 ILE 56 HG23 ILE 56 23.258 16.550 6.040 1135 1HD1 ILE 56 HD11 ILE 56 22.766 17.328 2.202 1136 2HD1 ILE 56 HD12 ILE 56 22.381 19.005 2.569 1137 3HD1 ILE 56 HD13 ILE 56 21.782 17.715 3.609 1138 H GLN 57 HN GLN 57 26.648 15.183 3.333 1139 HA GLN 57 HA GLN 57 26.471 12.797 4.771 1140 1HB GLN 57 HB2 GLN 57 28.407 13.603 2.586 1141 2HB GLN 57 HB1 GLN 57 28.178 11.949 3.156 1142 1HG GLN 57 HG2 GLN 57 25.948 13.676 2.079 1143 2HG GLN 57 HG1 GLN 57 26.842 12.525 1.095 1144 1HE2 GLN 57 HE21 GLN 57 23.996 12.808 2.760 1145 2HE2 GLN 57 HE22 GLN 57 23.756 11.187 3.196 1146 H HIS 58 HN HIS 58 29.048 15.206 4.582 1147 HA HIS 58 HA HIS 58 30.903 13.687 6.161 1148 1HB HIS 58 HB2 HIS 58 30.821 16.640 5.481 1149 2HB HIS 58 HB1 HIS 58 32.168 15.817 6.268 1150 HD1 HIS 58 HD1 HIS 58 31.475 13.190 4.338 1151 HD2 HIS 58 HD2 HIS 58 32.623 17.034 3.201 1152 HE1 HIS 58 HE1 HIS 58 32.454 12.986 2.011 1153 HE2 HIS 58 HE2 HIS 58 33.159 15.322 1.304 1154 H LEU 59 HN LEU 59 28.519 16.218 6.791 1155 HA LEU 59 HA LEU 59 29.239 16.849 9.409 1156 1HB LEU 59 HB2 LEU 59 27.501 18.060 8.093 1157 2HB LEU 59 HB1 LEU 59 26.422 16.689 8.313 1158 HG LEU 59 HG LEU 59 26.580 17.010 10.791 1159 1HD1 LEU 59 HD11 LEU 59 28.427 19.249 9.959 1160 2HD1 LEU 59 HD12 LEU 59 28.583 18.106 11.292 1161 3HD1 LEU 59 HD13 LEU 59 27.444 19.434 11.412 1162 1HD2 LEU 59 HD21 LEU 59 25.677 19.383 9.150 1163 2HD2 LEU 59 HD22 LEU 59 25.220 19.084 10.825 1164 3HD2 LEU 59 HD23 LEU 59 24.723 17.961 9.565 1165 H ASP 60 HN ASP 60 27.535 14.080 8.138 1166 HA ASP 60 HA ASP 60 26.285 13.087 10.410 1167 1HB ASP 60 HB2 ASP 60 27.672 11.591 8.169 1168 2HB ASP 60 HB1 ASP 60 26.636 10.826 9.370 1169 H GLU 61 HN GLU 61 29.679 13.183 9.611 1170 HA GLU 61 HA GLU 61 30.635 11.218 11.397 1171 1HB GLU 61 HB2 GLU 61 32.788 12.090 10.958 1172 2HB GLU 61 HB1 GLU 61 31.872 12.484 9.504 1173 1HG GLU 61 HG2 GLU 61 31.402 14.774 10.659 1174 2HG GLU 61 HG1 GLU 61 32.681 14.327 11.775 1175 H ALA 62 HN ALA 62 29.785 14.600 11.844 1176 HA ALA 62 HA ALA 62 30.888 14.852 14.470 1177 1HB ALA 62 HB1 ALA 62 30.444 16.780 12.973 1178 2HB ALA 62 HB2 ALA 62 29.658 16.951 14.541 1179 3HB ALA 62 HB3 ALA 62 28.715 16.474 13.132 1180 H TYR 63 HN TYR 63 27.555 14.509 13.269 1181 HA TYR 63 HA TYR 63 26.258 14.376 15.719 1182 1HB TYR 63 HB2 TYR 63 24.592 14.376 14.132 1183 2HB TYR 63 HB1 TYR 63 25.655 13.678 12.921 1184 HD1 TYR 63 HD1 TYR 63 23.861 12.732 16.065 1185 HD2 TYR 63 HD2 TYR 63 25.204 11.448 12.199 1186 HE1 TYR 63 HE1 TYR 63 22.735 10.553 16.400 1187 HE2 TYR 63 HE2 TYR 63 24.100 9.257 12.542 1188 HH TYR 63 HH TYR 63 22.180 8.353 13.936 1189 H ASN 64 HN ASN 64 27.700 11.753 13.789 1190 HA ASN 64 HA ASN 64 26.946 9.634 15.489 1191 1HB ASN 64 HB2 ASN 64 29.204 9.924 13.493 1192 2HB ASN 64 HB1 ASN 64 28.855 8.415 14.336 1193 1HD2 ASN 64 HD21 ASN 64 28.341 9.800 11.416 1194 2HD2 ASN 64 HD22 ASN 64 26.824 9.143 11.031 1195 H LYS 65 HN LYS 65 29.704 11.806 15.454 1196 HA LYS 65 HA LYS 65 31.297 10.441 17.315 1197 1HB LYS 65 HB2 LYS 65 31.935 12.451 15.847 1198 2HB LYS 65 HB1 LYS 65 31.146 13.456 17.056 1199 1HG LYS 65 HG2 LYS 65 33.336 13.462 17.893 1200 2HG LYS 65 HG1 LYS 65 32.703 12.077 18.757 1201 1HD LYS 65 HD2 LYS 65 33.621 10.598 16.976 1202 2HD LYS 65 HD1 LYS 65 34.300 12.014 16.181 1203 1HE LYS 65 HE2 LYS 65 35.646 12.515 18.165 1204 2HE LYS 65 HE1 LYS 65 34.939 11.136 19.010 1205 1HZ LYS 65 HZ1 LYS 65 35.821 10.124 16.630 1206 2HZ LYS 65 HZ2 LYS 65 36.571 9.938 18.143 1207 3HZ LYS 65 HZ3 LYS 65 37.052 11.191 17.101 1208 H VAL 66 HN VAL 66 28.659 12.749 17.724 1209 HA VAL 66 HA VAL 66 28.995 13.231 20.469 1210 HB VAL 66 HB VAL 66 26.451 13.206 18.799 1211 1HG1 VAL 66 HG11 VAL 66 25.765 13.053 21.093 1212 2HG1 VAL 66 HG12 VAL 66 25.620 14.750 20.646 1213 3HG1 VAL 66 HG13 VAL 66 26.996 14.206 21.608 1214 1HG2 VAL 66 HG21 VAL 66 28.417 15.377 19.595 1215 2HG2 VAL 66 HG22 VAL 66 26.830 15.696 18.904 1216 3HG2 VAL 66 HG23 VAL 66 28.033 14.820 17.967 1217 H LYS 67 HN LYS 67 26.735 10.980 18.883 1218 HA LYS 67 HA LYS 67 25.894 9.720 21.254 1219 1HB LYS 67 HB2 LYS 67 26.046 8.568 18.465 1220 2HB LYS 67 HB1 LYS 67 25.055 7.975 19.796 1221 1HG LYS 67 HG2 LYS 67 24.303 10.662 19.731 1222 2HG LYS 67 HG1 LYS 67 24.617 10.345 18.028 1223 1HD LYS 67 HD2 LYS 67 22.776 8.755 19.828 1224 2HD LYS 67 HD1 LYS 67 22.260 9.941 18.639 1225 1HE LYS 67 HE2 LYS 67 23.622 8.409 16.945 1226 2HE LYS 67 HE1 LYS 67 23.431 7.186 18.199 1227 1HZ LYS 67 HZ1 LYS 67 20.948 8.159 18.050 1228 2HZ LYS 67 HZ2 LYS 67 21.496 6.819 17.160 1229 3HZ LYS 67 HZ3 LYS 67 21.449 8.357 16.441 1230 H ARG 68 HN ARG 68 28.349 8.782 18.878 1231 HA ARG 68 HA ARG 68 29.126 6.364 19.996 1232 1HB ARG 68 HB2 ARG 68 29.831 7.312 17.755 1233 2HB ARG 68 HB1 ARG 68 30.980 8.335 18.616 1234 1HG ARG 68 HG2 ARG 68 32.114 6.387 19.511 1235 2HG ARG 68 HG1 ARG 68 30.901 5.314 18.824 1236 1HD ARG 68 HD2 ARG 68 32.817 5.268 17.368 1237 2HD ARG 68 HD1 ARG 68 31.542 6.163 16.547 1238 HE ARG 68 HE ARG 68 33.178 7.969 17.993 1239 1HH1 ARG 68 HH21 ARG 68 33.200 5.852 15.256 1240 2HH1 ARG 68 HH22 ARG 68 34.361 6.783 14.370 1241 1HH2 ARG 68 HH11 ARG 68 34.705 9.191 16.837 1242 2HH2 ARG 68 HH12 ARG 68 35.207 8.678 15.263 1243 H GLY 69 HN GLY 69 29.488 9.521 21.192 1244 1HA GLY 69 HA2 GLY 69 31.756 8.857 22.950 1245 2HA GLY 69 HA1 GLY 69 31.029 10.440 22.708 1246 H GLU 70 HN GLU 70 28.332 8.946 22.937 1247 HA GLU 70 HA GLU 70 28.103 9.271 25.858 1248 1HB GLU 70 HB2 GLU 70 26.050 8.994 23.648 1249 2HB GLU 70 HB1 GLU 70 25.656 9.177 25.357 1250 1HG GLU 70 HG2 GLU 70 27.394 11.150 23.852 1251 2HG GLU 70 HG1 GLU 70 25.657 11.337 23.992 1252 H SER 71 HN SER 71 26.924 6.966 23.384 1253 HA SER 71 HA SER 71 26.758 4.853 25.447 1254 1HB SER 71 HB2 SER 71 24.808 5.262 23.989 1255 2HB SER 71 HB1 SER 71 25.799 4.878 22.586 1256 HG SER 71 HG SER 71 24.909 3.220 24.680 1257 H LYS 72 HN LYS 72 29.044 4.590 25.603 1258 HA LYS 72 HA LYS 72 30.017 2.502 23.929 1259 1HB LYS 72 HB2 LYS 72 30.386 4.473 22.414 1260 2HB LYS 72 HB1 LYS 72 31.440 5.165 23.646 1261 1HG LYS 72 HG2 LYS 72 32.915 3.220 23.519 1262 2HG LYS 72 HG1 LYS 72 31.834 2.458 22.354 1263 1HD LYS 72 HD2 LYS 72 32.233 4.303 20.773 1264 2HD LYS 72 HD1 LYS 72 33.308 5.073 21.940 1265 1HE LYS 72 HE2 LYS 72 34.622 3.809 20.297 1266 2HE LYS 72 HE1 LYS 72 34.773 3.068 21.890 1267 1HZ LYS 72 HZ1 LYS 72 33.194 1.411 21.298 1268 2HZ LYS 72 HZ2 LYS 72 34.347 1.477 20.052 1269 3HZ LYS 72 HZ3 LYS 72 32.818 2.188 19.838 1270 H LEU 73 HN LEU 73 31.201 5.244 25.884 1271 HA LEU 73 HA LEU 73 32.633 3.310 27.629 1272 1HB LEU 73 HB2 LEU 73 34.254 4.566 26.266 1273 2HB LEU 73 HB1 LEU 73 33.548 6.083 26.809 1274 HG LEU 73 HG LEU 73 34.199 5.583 29.138 1275 1HD1 LEU 73 HD11 LEU 73 35.885 3.571 29.379 1276 2HD1 LEU 73 HD12 LEU 73 35.064 2.943 27.951 1277 3HD1 LEU 73 HD13 LEU 73 34.154 3.257 29.429 1278 1HD2 LEU 73 HD21 LEU 73 36.572 5.905 28.899 1279 2HD2 LEU 73 HD22 LEU 73 35.784 6.725 27.550 1280 3HD2 LEU 73 HD23 LEU 73 36.566 5.164 27.298 1281 H GLU 74 HN GLU 74 32.226 3.433 29.719 1282 HA GLU 74 HA GLU 74 30.469 5.602 30.719 1283 1HB GLU 74 HB2 GLU 74 31.105 2.855 31.829 1284 2HB GLU 74 HB1 GLU 74 30.018 4.027 32.575 1285 1HG GLU 74 HG2 GLU 74 29.665 2.927 29.771 1286 2HG GLU 74 HG1 GLU 74 28.830 2.299 31.187 1287 H HIS 75 HN HIS 75 33.700 4.703 30.670 1288 HA HIS 75 HA HIS 75 35.549 5.380 31.844 1289 1HB HIS 75 HB2 HIS 75 33.726 7.496 33.013 1290 2HB HIS 75 HB1 HIS 75 35.481 7.550 32.888 1291 HD1 HIS 75 HD1 HIS 75 36.473 8.366 30.714 1292 HD2 HIS 75 HD2 HIS 75 32.382 7.621 30.405 1293 HE1 HIS 75 HE1 HIS 75 35.757 9.226 28.442 1294 HE2 HIS 75 HE2 HIS 75 33.265 8.779 28.238 1295 H HIS 76 HN HIS 76 33.297 3.652 33.089 1296 HA HIS 76 HA HIS 76 32.831 2.635 35.107 1297 1HB HIS 76 HB2 HIS 76 35.776 3.210 35.518 1298 2HB HIS 76 HB1 HIS 76 34.824 2.019 36.406 1299 HD1 HIS 76 HD1 HIS 76 37.107 0.833 34.920 1300 HD2 HIS 76 HD2 HIS 76 33.433 1.505 33.067 1301 HE1 HIS 76 HE1 HIS 76 37.024 -0.710 32.912 1302 HE2 HIS 76 HE2 HIS 76 34.791 -0.311 31.772 1303 H HIS 77 HN HIS 77 33.898 2.990 37.666 1304 HA HIS 77 HA HIS 77 32.409 5.230 38.581 1305 1HB HIS 77 HB2 HIS 77 32.805 3.189 39.937 1306 2HB HIS 77 HB1 HIS 77 34.510 3.623 40.055 1307 HD1 HIS 77 HD1 HIS 77 35.083 5.837 41.391 1308 HD2 HIS 77 HD2 HIS 77 31.104 4.622 41.659 1309 HE1 HIS 77 HE1 HIS 77 34.063 7.140 43.309 1310 HE2 HIS 77 HE2 HIS 77 31.638 6.409 43.485 1311 H HIS 78 HN HIS 78 33.176 7.120 37.643 1312 HA HIS 78 HA HIS 78 35.943 7.862 37.647 1313 1HB HIS 78 HB2 HIS 78 34.241 8.759 36.043 1314 2HB HIS 78 HB1 HIS 78 33.520 9.662 37.375 1315 HD1 HIS 78 HD1 HIS 78 36.911 9.292 35.668 1316 HD2 HIS 78 HD2 HIS 78 34.718 12.127 37.798 1317 HE1 HIS 78 HE1 HIS 78 38.275 11.424 35.636 1318 HE2 HIS 78 HE2 HIS 78 36.954 13.162 36.934 1319 H HIS 79 HN HIS 79 37.110 8.678 39.261 1320 HA HIS 79 HA HIS 79 35.945 9.162 41.849 1321 1HB HIS 79 HB2 HIS 79 38.215 8.203 41.550 1322 2HB HIS 79 HB1 HIS 79 38.753 9.736 40.868 1323 HD1 HIS 79 HD1 HIS 79 38.921 11.779 42.488 1324 HD2 HIS 79 HD2 HIS 79 37.832 8.219 44.362 1325 HE1 HIS 79 HE1 HIS 79 39.152 12.181 44.978 1326 HE2 HIS 79 HE2 HIS 79 38.492 10.018 46.135 1327 H HIS 80 HN HIS 80 38.180 11.331 40.139 1328 HA HIS 80 HA HIS 80 36.930 13.666 41.306 1329 1HB HIS 80 HB2 HIS 80 38.639 14.908 40.032 1330 2HB HIS 80 HB1 HIS 80 39.353 13.594 40.967 1331 HD1 HIS 80 HD1 HIS 80 39.127 14.917 37.577 1332 HD2 HIS 80 HD2 HIS 80 39.843 11.181 39.281 1333 HE1 HIS 80 HE1 HIS 80 40.151 13.484 35.757 1334 HE2 HIS 80 HE2 HIS 80 40.593 11.203 36.780 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -7.965 -1.847 -0.134 2 2H MET 1 HT2 MET 1 -7.614 -0.373 -0.902 3 3H MET 1 HT3 MET 1 -7.592 -0.477 0.794 4 HA MET 1 HA MET 1 -5.763 -2.177 0.539 5 1HB MET 1 HB2 MET 1 -5.864 -0.976 -2.245 6 2HB MET 1 HB1 MET 1 -4.496 -1.896 -1.622 7 1HG MET 1 HG2 MET 1 -5.964 -3.843 -1.255 8 2HG MET 1 HG1 MET 1 -7.343 -2.919 -1.847 9 1HE MET 1 HE1 MET 1 -4.626 -5.401 -2.801 10 2HE MET 1 HE2 MET 1 -3.709 -3.906 -2.637 11 3HE MET 1 HE3 MET 1 -3.841 -4.680 -4.212 12 H SER 2 HN SER 2 -3.417 -1.114 -0.151 13 HA SER 2 HA SER 2 -3.098 1.065 1.625 14 1HB SER 2 HB2 SER 2 -1.250 -0.011 -0.515 15 2HB SER 2 HB1 SER 2 -0.782 1.166 0.709 16 HG SER 2 HG SER 2 -1.309 -0.375 2.292 17 H GLU 3 HN GLU 3 -2.665 0.974 -1.924 18 HA GLU 3 HA GLU 3 -2.723 2.666 -3.496 19 1HB GLU 3 HB2 GLU 3 -5.012 3.471 -1.682 20 2HB GLU 3 HB1 GLU 3 -4.711 4.195 -3.263 21 1HG GLU 3 HG2 GLU 3 -4.958 2.021 -4.346 22 2HG GLU 3 HG1 GLU 3 -5.152 1.237 -2.782 23 H LEU 4 HN LEU 4 -0.678 3.562 -2.979 24 HA LEU 4 HA LEU 4 -0.285 5.525 -0.971 25 1HB LEU 4 HB2 LEU 4 1.288 5.139 -3.527 26 2HB LEU 4 HB1 LEU 4 1.849 5.910 -2.045 27 HG LEU 4 HG LEU 4 1.035 2.996 -2.309 28 1HD1 LEU 4 HD11 LEU 4 3.472 2.588 -1.982 29 2HD1 LEU 4 HD12 LEU 4 3.748 4.328 -2.072 30 3HD1 LEU 4 HD13 LEU 4 3.124 3.460 -3.476 31 1HD2 LEU 4 HD21 LEU 4 1.992 4.683 0.026 32 2HD2 LEU 4 HD22 LEU 4 2.256 2.939 0.002 33 3HD2 LEU 4 HD23 LEU 4 0.619 3.576 -0.044 34 H PHE 5 HN PHE 5 -0.763 7.614 -0.933 35 HA PHE 5 HA PHE 5 -1.909 8.870 -3.354 36 1HB PHE 5 HB2 PHE 5 -1.971 9.667 -0.428 37 2HB PHE 5 HB1 PHE 5 -2.687 10.607 -1.736 38 HD1 PHE 5 HD2 PHE 5 -4.596 9.709 -3.048 39 HD2 PHE 5 HD1 PHE 5 -3.001 7.599 0.336 40 HE1 PHE 5 HE2 PHE 5 -6.628 8.291 -2.976 41 HE2 PHE 5 HE1 PHE 5 -5.034 6.180 0.408 42 HZ PHE 5 HZ PHE 5 -6.847 6.526 -1.247 43 H SER 6 HN SER 6 0.724 8.624 -3.718 44 HA SER 6 HA SER 6 2.697 9.740 -4.066 45 1HB SER 6 HB2 SER 6 1.312 11.049 -5.532 46 2HB SER 6 HB1 SER 6 0.673 11.989 -4.192 47 HG SER 6 HG SER 6 2.379 13.207 -4.283 48 H VAL 7 HN VAL 7 2.761 12.722 -3.104 49 HA VAL 7 HA VAL 7 4.291 12.276 -0.784 50 HB VAL 7 HB VAL 7 3.093 14.700 -2.093 51 1HG1 VAL 7 HG11 VAL 7 4.254 16.103 -0.293 52 2HG1 VAL 7 HG12 VAL 7 4.308 14.645 0.682 53 3HG1 VAL 7 HG13 VAL 7 2.759 15.333 0.200 54 1HG2 VAL 7 HG21 VAL 7 5.421 15.392 -2.301 55 2HG2 VAL 7 HG22 VAL 7 5.246 13.741 -2.890 56 3HG2 VAL 7 HG23 VAL 7 5.942 14.037 -1.297 57 HA PRO 8 HA PRO 8 0.175 14.003 1.567 58 1HB PRO 8 HB2 PRO 8 -1.519 12.092 -0.042 59 2HB PRO 8 HB1 PRO 8 -1.976 13.630 0.721 60 1HG PRO 8 HG2 PRO 8 -1.393 13.330 -1.967 61 2HG PRO 8 HG1 PRO 8 -1.292 14.862 -1.083 62 1HD PRO 8 HD2 PRO 8 0.893 13.345 -2.224 63 2HD PRO 8 HD1 PRO 8 0.972 14.885 -1.360 64 H TYR 9 HN TYR 9 0.973 10.816 0.281 65 HA TYR 9 HA TYR 9 -0.089 9.238 2.368 66 1HB TYR 9 HB2 TYR 9 0.636 8.368 0.136 67 2HB TYR 9 HB1 TYR 9 2.312 8.637 0.618 68 HD1 TYR 9 HD2 TYR 9 3.344 7.307 2.431 69 HD2 TYR 9 HD1 TYR 9 -0.687 6.579 1.136 70 HE1 TYR 9 HE2 TYR 9 3.351 5.137 3.630 71 HE2 TYR 9 HE1 TYR 9 -0.680 4.408 2.333 72 HH TYR 9 HH TYR 9 0.827 2.799 3.211 73 H PHE 10 HN PHE 10 3.126 10.672 1.862 74 HA PHE 10 HA PHE 10 4.372 9.552 4.135 75 1HB PHE 10 HB2 PHE 10 4.923 11.831 2.269 76 2HB PHE 10 HB1 PHE 10 5.763 11.887 3.815 77 HD1 PHE 10 HD2 PHE 10 4.794 9.057 1.537 78 HD2 PHE 10 HD1 PHE 10 7.993 11.156 3.494 79 HE1 PHE 10 HE2 PHE 10 6.412 7.382 0.688 80 HE2 PHE 10 HE1 PHE 10 9.602 9.476 2.645 81 HZ PHE 10 HZ PHE 10 8.827 7.599 1.249 82 H ILE 11 HN ILE 11 2.580 12.587 3.690 83 HA ILE 11 HA ILE 11 3.025 13.577 6.300 84 HB ILE 11 HB ILE 11 0.843 14.108 4.266 85 1HG1 ILE 11 HG12 ILE 11 3.150 15.831 5.160 86 2HG1 ILE 11 HG11 ILE 11 3.269 14.759 3.779 87 1HG2 ILE 11 HG21 ILE 11 -0.103 14.688 6.417 88 2HG2 ILE 11 HG22 ILE 11 0.414 16.181 5.654 89 3HG2 ILE 11 HG23 ILE 11 1.402 15.458 6.926 90 1HD1 ILE 11 HD11 ILE 11 1.222 16.973 4.093 91 2HD1 ILE 11 HD12 ILE 11 1.454 15.957 2.670 92 3HD1 ILE 11 HD13 ILE 11 2.708 17.104 3.152 93 H GLU 12 HN GLU 12 0.315 11.775 4.890 94 HA GLU 12 HA GLU 12 -1.387 11.669 7.059 95 1HB GLU 12 HB2 GLU 12 -1.831 10.780 4.747 96 2HB GLU 12 HB1 GLU 12 -0.846 9.376 5.154 97 1HG GLU 12 HG2 GLU 12 -2.344 8.852 7.028 98 2HG GLU 12 HG1 GLU 12 -3.308 10.278 6.660 99 H ASN 13 HN ASN 13 1.658 10.053 6.591 100 HA ASN 13 HA ASN 13 1.298 8.050 8.615 101 1HB ASN 13 HB2 ASN 13 2.961 7.912 6.723 102 2HB ASN 13 HB1 ASN 13 3.912 9.143 7.549 103 1HD2 ASN 13 HD21 ASN 13 2.559 5.849 8.008 104 2HD2 ASN 13 HD22 ASN 13 3.729 5.366 9.138 105 H LEU 14 HN LEU 14 2.658 11.302 8.493 106 HA LEU 14 HA LEU 14 3.829 11.344 11.063 107 1HB LEU 14 HB2 LEU 14 2.645 13.699 9.568 108 2HB LEU 14 HB1 LEU 14 3.921 13.733 10.785 109 HG LEU 14 HG LEU 14 4.104 12.403 8.068 110 1HD1 LEU 14 HD11 LEU 14 5.390 14.910 9.183 111 2HD1 LEU 14 HD12 LEU 14 4.137 14.852 7.942 112 3HD1 LEU 14 HD13 LEU 14 5.742 14.195 7.613 113 1HD2 LEU 14 HD21 LEU 14 5.976 12.516 10.442 114 2HD2 LEU 14 HD22 LEU 14 6.609 12.364 8.808 115 3HD2 LEU 14 HD23 LEU 14 5.528 11.134 9.440 116 H LYS 15 HN LYS 15 0.583 12.120 9.905 117 HA LYS 15 HA LYS 15 -0.400 13.234 12.275 118 1HB LYS 15 HB2 LYS 15 -1.805 11.703 10.078 119 2HB LYS 15 HB1 LYS 15 -2.656 12.513 11.394 120 1HG LYS 15 HG2 LYS 15 -1.619 14.661 10.739 121 2HG LYS 15 HG1 LYS 15 -0.782 13.849 9.414 122 1HD LYS 15 HD2 LYS 15 -2.967 13.189 8.452 123 2HD LYS 15 HD1 LYS 15 -3.790 14.036 9.761 124 1HE LYS 15 HE2 LYS 15 -1.860 15.366 7.844 125 2HE LYS 15 HE1 LYS 15 -3.608 15.387 7.649 126 1HZ LYS 15 HZ1 LYS 15 -3.486 17.221 8.893 127 2HZ LYS 15 HZ2 LYS 15 -1.936 16.854 9.484 128 3HZ LYS 15 HZ3 LYS 15 -3.311 16.159 10.203 129 H GLN 16 HN GLN 16 -0.161 9.870 11.194 130 HA GLN 16 HA GLN 16 -1.651 8.667 13.260 131 1HB GLN 16 HB2 GLN 16 -0.908 7.476 11.223 132 2HB GLN 16 HB1 GLN 16 0.755 7.539 11.809 133 1HG GLN 16 HG2 GLN 16 0.196 6.189 13.742 134 2HG GLN 16 HG1 GLN 16 -1.521 6.265 13.361 135 1HE2 GLN 16 HE21 GLN 16 -2.061 4.158 12.719 136 2HE2 GLN 16 HE22 GLN 16 -1.208 3.263 11.556 137 H HIS 17 HN HIS 17 1.547 10.029 13.228 138 HA HIS 17 HA HIS 17 2.453 8.690 15.620 139 1HB HIS 17 HB2 HIS 17 3.490 11.231 14.328 140 2HB HIS 17 HB1 HIS 17 4.310 10.294 15.560 141 HD1 HIS 17 HD1 HIS 17 3.234 7.525 14.138 142 HD2 HIS 17 HD2 HIS 17 5.597 10.519 12.457 143 HE1 HIS 17 HE1 HIS 17 4.509 6.449 12.232 144 HE2 HIS 17 HE2 HIS 17 5.956 8.262 11.200 145 H ILE 18 HN ILE 18 1.367 12.039 14.970 146 HA ILE 18 HA ILE 18 1.322 12.732 17.766 147 HB ILE 18 HB ILE 18 0.563 14.876 17.060 148 1HG1 ILE 18 HG12 ILE 18 -0.430 13.430 14.592 149 2HG1 ILE 18 HG11 ILE 18 -1.380 14.353 15.741 150 1HG2 ILE 18 HG21 ILE 18 2.199 15.464 15.416 151 2HG2 ILE 18 HG22 ILE 18 2.123 13.873 14.655 152 3HG2 ILE 18 HG23 ILE 18 2.862 14.056 16.239 153 1HD1 ILE 18 HD11 ILE 18 0.489 15.359 13.604 154 2HD1 ILE 18 HD12 ILE 18 0.049 16.381 14.979 155 3HD1 ILE 18 HD13 ILE 18 -1.199 15.782 13.884 156 H GLU 19 HN GLU 19 -1.140 11.890 15.356 157 HA GLU 19 HA GLU 19 -3.375 12.244 17.089 158 1HB GLU 19 HB2 GLU 19 -3.133 10.504 14.612 159 2HB GLU 19 HB1 GLU 19 -4.633 10.896 15.433 160 1HG GLU 19 HG2 GLU 19 -2.766 13.001 14.304 161 2HG GLU 19 HG1 GLU 19 -4.153 12.357 13.433 162 H MET 20 HN MET 20 -1.544 9.355 16.095 163 HA MET 20 HA MET 20 -2.922 7.766 18.158 164 1HB MET 20 HB2 MET 20 -2.184 7.152 15.544 165 2HB MET 20 HB1 MET 20 -0.895 6.391 16.459 166 1HG MET 20 HG2 MET 20 -2.534 5.159 17.798 167 2HG MET 20 HG1 MET 20 -3.859 5.947 16.941 168 1HE MET 20 HE1 MET 20 -4.966 5.004 14.945 169 2HE MET 20 HE2 MET 20 -4.057 4.424 13.554 170 3HE MET 20 HE3 MET 20 -3.743 6.035 14.190 171 H ASN 21 HN ASN 21 -0.871 5.882 18.536 172 HA ASN 21 HA ASN 21 1.463 7.252 19.597 173 1HB ASN 21 HB2 ASN 21 -0.629 6.029 21.411 174 2HB ASN 21 HB1 ASN 21 1.007 6.436 21.929 175 1HD2 ASN 21 HD21 ASN 21 1.637 8.822 21.585 176 2HD2 ASN 21 HD22 ASN 21 0.416 9.987 21.766 177 H GLN 22 HN GLN 22 0.996 5.177 17.659 178 HA GLN 22 HA GLN 22 1.310 2.574 18.564 179 1HB GLN 22 HB2 GLN 22 2.479 3.947 16.137 180 2HB GLN 22 HB1 GLN 22 2.505 2.200 16.378 181 1HG GLN 22 HG2 GLN 22 -0.028 3.868 16.370 182 2HG GLN 22 HG1 GLN 22 0.594 3.026 14.953 183 1HE2 GLN 22 HE21 GLN 22 0.947 0.563 15.304 184 2HE2 GLN 22 HE22 GLN 22 -0.194 -0.240 16.272 185 H SER 23 HN SER 23 4.003 4.600 17.394 186 HA SER 23 HA SER 23 5.657 4.005 19.683 187 1HB SER 23 HB2 SER 23 6.410 2.765 17.025 188 2HB SER 23 HB1 SER 23 7.362 2.721 18.506 189 HG SER 23 HG SER 23 5.776 1.480 19.459 190 H GLU 24 HN GLU 24 5.302 6.412 19.307 191 HA GLU 24 HA GLU 24 7.726 7.473 18.140 192 1HB GLU 24 HB2 GLU 24 5.864 7.219 16.267 193 2HB GLU 24 HB1 GLU 24 5.189 8.657 17.001 194 1HG GLU 24 HG2 GLU 24 6.658 9.457 15.271 195 2HG GLU 24 HG1 GLU 24 7.527 9.711 16.784 196 H ASP 25 HN ASP 25 6.068 10.094 17.876 197 HA ASP 25 HA ASP 25 5.424 10.709 20.654 198 1HB ASP 25 HB2 ASP 25 7.776 11.982 19.225 199 2HB ASP 25 HB1 ASP 25 7.073 12.580 20.731 200 H LYS 26 HN LYS 26 5.425 13.403 20.569 201 HA LYS 26 HA LYS 26 3.203 13.936 18.770 202 1HB LYS 26 HB2 LYS 26 3.274 14.710 21.153 203 2HB LYS 26 HB1 LYS 26 4.563 15.823 20.715 204 1HG LYS 26 HG2 LYS 26 3.075 16.918 19.079 205 2HG LYS 26 HG1 LYS 26 1.797 15.762 19.460 206 1HD LYS 26 HD2 LYS 26 1.803 16.552 21.811 207 2HD LYS 26 HD1 LYS 26 3.056 17.725 21.404 208 1HE LYS 26 HE2 LYS 26 0.780 18.732 21.387 209 2HE LYS 26 HE1 LYS 26 1.569 18.817 19.817 210 1HZ LYS 26 HZ1 LYS 26 -0.880 17.881 20.140 211 2HZ LYS 26 HZ2 LYS 26 -0.009 16.437 20.344 212 3HZ LYS 26 HZ3 LYS 26 0.155 17.335 18.912 213 H ILE 27 HN ILE 27 5.195 16.675 19.303 214 HA ILE 27 HA ILE 27 5.446 17.201 16.536 215 HB ILE 27 HB ILE 27 5.389 18.941 18.294 216 1HG1 ILE 27 HG12 ILE 27 7.952 19.051 16.666 217 2HG1 ILE 27 HG11 ILE 27 6.352 19.306 15.966 218 1HG2 ILE 27 HG21 ILE 27 6.923 17.655 19.866 219 2HG2 ILE 27 HG22 ILE 27 7.300 19.368 19.690 220 3HG2 ILE 27 HG23 ILE 27 8.269 18.164 18.846 221 1HD1 ILE 27 HD11 ILE 27 7.238 20.930 18.346 222 2HD1 ILE 27 HD12 ILE 27 6.008 21.278 17.138 223 3HD1 ILE 27 HD13 ILE 27 7.705 21.379 16.711 224 H HIS 28 HN HIS 28 7.596 15.765 18.924 225 HA HIS 28 HA HIS 28 9.952 15.787 17.339 226 1HB HIS 28 HB2 HIS 28 9.909 15.430 19.805 227 2HB HIS 28 HB1 HIS 28 9.205 13.841 19.532 228 HD1 HIS 28 HD1 HIS 28 10.816 11.961 19.070 229 HD2 HIS 28 HD2 HIS 28 12.582 15.701 18.544 230 HE1 HIS 28 HE1 HIS 28 13.274 11.537 18.629 231 HE2 HIS 28 HE2 HIS 28 14.364 13.808 18.306 232 H ALA 29 HN ALA 29 7.180 14.483 16.458 233 HA ALA 29 HA ALA 29 7.909 11.807 15.714 234 1HB ALA 29 HB1 ALA 29 5.567 12.443 16.040 235 2HB ALA 29 HB2 ALA 29 5.828 11.879 14.396 236 3HB ALA 29 HB3 ALA 29 5.683 13.604 14.722 237 H MET 30 HN MET 30 7.720 14.929 14.043 238 HA MET 30 HA MET 30 8.412 13.974 11.482 239 1HB MET 30 HB2 MET 30 8.883 16.299 10.941 240 2HB MET 30 HB1 MET 30 7.420 16.207 11.912 241 1HG MET 30 HG2 MET 30 8.545 17.944 13.019 242 2HG MET 30 HG1 MET 30 9.124 16.569 13.939 243 1HE MET 30 HE1 MET 30 12.295 18.552 14.042 244 2HE MET 30 HE2 MET 30 10.811 18.022 14.829 245 3HE MET 30 HE3 MET 30 10.794 19.454 13.804 246 H ASN 31 HN ASN 31 10.391 15.277 14.151 247 HA ASN 31 HA ASN 31 12.846 15.382 12.856 248 1HB ASN 31 HB2 ASN 31 12.498 16.161 15.159 249 2HB ASN 31 HB1 ASN 31 12.294 14.497 15.698 250 1HD2 ASN 31 HD21 ASN 31 14.167 13.970 16.838 251 2HD2 ASN 31 HD22 ASN 31 15.746 14.270 16.293 252 H SER 32 HN SER 32 11.475 12.582 14.619 253 HA SER 32 HA SER 32 13.591 10.807 13.950 254 1HB SER 32 HB2 SER 32 12.221 10.128 15.752 255 2HB SER 32 HB1 SER 32 10.744 10.450 14.849 256 HG SER 32 HG SER 32 10.880 8.541 13.966 257 H TYR 33 HN TYR 33 10.302 11.093 12.570 258 HA TYR 33 HA TYR 33 10.625 9.225 10.502 259 1HB TYR 33 HB2 TYR 33 8.441 10.120 11.202 260 2HB TYR 33 HB1 TYR 33 8.884 11.708 10.573 261 HD1 TYR 33 HD2 TYR 33 9.161 12.079 8.154 262 HD2 TYR 33 HD1 TYR 33 7.865 8.289 9.701 263 HE1 TYR 33 HE2 TYR 33 8.447 11.390 5.874 264 HE2 TYR 33 HE1 TYR 33 7.140 7.604 7.427 265 HH TYR 33 HH TYR 33 7.858 8.307 4.981 266 H TYR 34 HN TYR 34 11.182 12.728 10.564 267 HA TYR 34 HA TYR 34 11.805 13.104 7.853 268 1HB TYR 34 HB2 TYR 34 11.400 14.958 9.446 269 2HB TYR 34 HB1 TYR 34 12.912 14.577 10.267 270 HD1 TYR 34 HD2 TYR 34 15.100 14.795 9.001 271 HD2 TYR 34 HD1 TYR 34 11.367 16.232 7.451 272 HE1 TYR 34 HE2 TYR 34 16.322 16.161 7.331 273 HE2 TYR 34 HE1 TYR 34 12.587 17.586 5.763 274 HH TYR 34 HH TYR 34 14.807 18.596 5.485 275 H ARG 35 HN ARG 35 14.043 12.707 10.612 276 HA ARG 35 HA ARG 35 16.381 12.507 9.065 277 1HB ARG 35 HB2 ARG 35 16.347 12.948 11.511 278 2HB ARG 35 HB1 ARG 35 15.836 11.281 11.781 279 1HG ARG 35 HG2 ARG 35 17.898 10.453 10.732 280 2HG ARG 35 HG1 ARG 35 18.397 12.106 10.381 281 1HD ARG 35 HD2 ARG 35 18.439 12.607 12.785 282 2HD ARG 35 HD1 ARG 35 17.924 10.958 13.143 283 HE ARG 35 HE ARG 35 20.576 11.810 12.445 284 1HH1 ARG 35 HH21 ARG 35 18.277 9.234 12.226 285 2HH1 ARG 35 HH22 ARG 35 19.477 7.990 12.110 286 1HH2 ARG 35 HH11 ARG 35 22.152 10.187 12.293 287 2HH2 ARG 35 HH12 ARG 35 21.672 8.529 12.149 288 H SER 36 HN SER 36 13.911 10.180 9.890 289 HA SER 36 HA SER 36 15.430 7.837 9.286 290 1HB SER 36 HB2 SER 36 12.435 8.262 9.258 291 2HB SER 36 HB1 SER 36 13.234 6.704 9.141 292 HG SER 36 HG SER 36 13.315 6.753 11.231 293 H VAL 37 HN VAL 37 13.190 9.845 7.384 294 HA VAL 37 HA VAL 37 13.431 8.242 5.018 295 HB VAL 37 HB VAL 37 12.448 11.075 5.487 296 1HG1 VAL 37 HG11 VAL 37 13.181 11.077 3.201 297 2HG1 VAL 37 HG12 VAL 37 11.457 10.784 3.135 298 3HG1 VAL 37 HG13 VAL 37 12.571 9.444 2.933 299 1HG2 VAL 37 HG21 VAL 37 10.243 10.011 5.009 300 2HG2 VAL 37 HG22 VAL 37 11.025 9.320 6.431 301 3HG2 VAL 37 HG23 VAL 37 11.043 8.445 4.898 302 H VAL 38 HN VAL 38 14.747 11.461 5.865 303 HA VAL 38 HA VAL 38 16.320 11.831 3.598 304 HB VAL 38 HB VAL 38 16.890 12.690 6.451 305 1HG1 VAL 38 HG11 VAL 38 18.943 12.934 5.243 306 2HG1 VAL 38 HG12 VAL 38 18.208 14.536 5.254 307 3HG1 VAL 38 HG13 VAL 38 18.114 13.536 3.810 308 1HG2 VAL 38 HG21 VAL 38 14.945 13.895 6.058 309 2HG2 VAL 38 HG22 VAL 38 15.032 13.695 4.320 310 3HG2 VAL 38 HG23 VAL 38 15.990 14.944 5.107 311 H SER 39 HN SER 39 17.198 10.196 6.652 312 HA SER 39 HA SER 39 19.851 9.577 5.880 313 1HB SER 39 HB2 SER 39 18.041 8.140 7.836 314 2HB SER 39 HB1 SER 39 19.782 7.923 7.707 315 HG SER 39 HG SER 39 20.056 10.071 8.293 316 H THR 40 HN THR 40 16.794 8.224 5.027 317 HA THR 40 HA THR 40 17.921 5.672 4.123 318 HB THR 40 HB THR 40 15.122 6.797 3.819 319 HG1 THR 40 HG1 THR 40 16.005 4.716 5.501 320 1HG2 THR 40 HG21 THR 40 16.363 4.107 3.178 321 2HG2 THR 40 HG22 THR 40 15.459 5.170 2.098 322 3HG2 THR 40 HG23 THR 40 14.625 4.327 3.404 323 H LEU 41 HN LEU 41 16.374 8.513 2.636 324 HA LEU 41 HA LEU 41 16.762 7.650 -0.045 325 1HB LEU 41 HB2 LEU 41 16.402 10.456 1.047 326 2HB LEU 41 HB1 LEU 41 16.208 9.982 -0.636 327 HG LEU 41 HG LEU 41 14.547 8.973 1.696 328 1HD1 LEU 41 HD11 LEU 41 13.807 10.802 -0.604 329 2HD1 LEU 41 HD12 LEU 41 14.147 11.345 1.034 330 3HD1 LEU 41 HD13 LEU 41 12.751 10.315 0.716 331 1HD2 LEU 41 HD21 LEU 41 14.478 7.186 0.156 332 2HD2 LEU 41 HD22 LEU 41 14.578 8.251 -1.247 333 3HD2 LEU 41 HD23 LEU 41 13.080 8.137 -0.322 334 H VAL 42 HN VAL 42 18.626 9.790 2.074 335 HA VAL 42 HA VAL 42 20.665 10.255 0.061 336 HB VAL 42 HB VAL 42 20.667 10.943 3.014 337 1HG1 VAL 42 HG11 VAL 42 22.909 11.333 2.438 338 2HG1 VAL 42 HG12 VAL 42 22.235 12.849 1.860 339 3HG1 VAL 42 HG13 VAL 42 22.549 11.541 0.723 340 1HG2 VAL 42 HG21 VAL 42 18.752 11.912 1.831 341 2HG2 VAL 42 HG22 VAL 42 19.821 12.533 0.572 342 3HG2 VAL 42 HG23 VAL 42 19.923 13.174 2.210 343 H GLN 43 HN GLN 43 20.056 7.486 1.024 344 HA GLN 43 HA GLN 43 22.834 6.692 1.580 345 1HB GLN 43 HB2 GLN 43 21.731 6.769 3.754 346 2HB GLN 43 HB1 GLN 43 20.440 5.727 3.154 347 1HG GLN 43 HG2 GLN 43 21.919 3.857 2.944 348 2HG GLN 43 HG1 GLN 43 23.350 4.869 3.121 349 1HE2 GLN 43 HE21 GLN 43 23.018 2.624 4.765 350 2HE2 GLN 43 HE22 GLN 43 22.690 3.128 6.352 351 H ASP 44 HN ASP 44 20.225 6.468 -0.374 352 HA ASP 44 HA ASP 44 21.164 3.925 -1.506 353 1HB ASP 44 HB2 ASP 44 19.259 3.409 0.071 354 2HB ASP 44 HB1 ASP 44 18.225 4.422 -0.934 355 H GLN 45 HN GLN 45 20.121 3.526 -3.639 356 HA GLN 45 HA GLN 45 19.626 4.196 -5.783 357 1HB GLN 45 HB2 GLN 45 17.571 5.145 -4.815 358 2HB GLN 45 HB1 GLN 45 18.417 6.630 -4.417 359 1HG GLN 45 HG2 GLN 45 18.819 7.131 -6.727 360 2HG GLN 45 HG1 GLN 45 18.182 5.562 -7.227 361 1HE2 GLN 45 HE21 GLN 45 16.185 5.971 -8.211 362 2HE2 GLN 45 HE22 GLN 45 14.986 6.988 -7.572 363 H LEU 46 HN LEU 46 20.467 7.226 -4.085 364 HA LEU 46 HA LEU 46 21.863 8.950 -4.781 365 1HB LEU 46 HB2 LEU 46 23.614 6.490 -4.878 366 2HB LEU 46 HB1 LEU 46 24.250 8.133 -4.910 367 HG LEU 46 HG LEU 46 22.357 7.308 -2.687 368 1HD1 LEU 46 HD11 LEU 46 24.387 6.707 -1.320 369 2HD1 LEU 46 HD12 LEU 46 25.343 6.774 -2.802 370 3HD1 LEU 46 HD13 LEU 46 24.063 5.575 -2.634 371 1HD2 LEU 46 HD21 LEU 46 24.698 9.244 -2.812 372 2HD2 LEU 46 HD22 LEU 46 23.651 8.993 -1.417 373 3HD2 LEU 46 HD23 LEU 46 22.998 9.700 -2.889 374 H THR 47 HN THR 47 20.313 8.427 -6.912 375 HA THR 47 HA THR 47 21.842 7.722 -9.255 376 HB THR 47 HB THR 47 19.451 7.224 -9.119 377 HG1 THR 47 HG1 THR 47 20.382 7.647 -11.155 378 1HG2 THR 47 HG21 THR 47 17.793 8.950 -9.076 379 2HG2 THR 47 HG22 THR 47 19.013 10.209 -9.243 380 3HG2 THR 47 HG23 THR 47 18.903 9.286 -7.748 381 H LYS 48 HN LYS 48 20.925 10.630 -7.588 382 HA LYS 48 HA LYS 48 22.894 12.194 -8.887 383 1HB LYS 48 HB2 LYS 48 21.239 12.032 -10.761 384 2HB LYS 48 HB1 LYS 48 20.055 12.803 -9.721 385 1HG LYS 48 HG2 LYS 48 21.442 14.785 -9.534 386 2HG LYS 48 HG1 LYS 48 22.725 14.009 -10.457 387 1HD LYS 48 HD2 LYS 48 21.210 13.838 -12.397 388 2HD LYS 48 HD1 LYS 48 19.940 14.638 -11.466 389 1HE LYS 48 HE2 LYS 48 21.380 16.614 -11.186 390 2HE LYS 48 HE1 LYS 48 22.650 15.818 -12.113 391 1HZ LYS 48 HZ1 LYS 48 20.064 15.866 -13.401 392 2HZ LYS 48 HZ2 LYS 48 21.604 16.186 -14.042 393 3HZ LYS 48 HZ3 LYS 48 20.768 17.395 -13.188 394 H ASN 49 HN ASN 49 23.368 13.874 -7.594 395 HA ASN 49 HA ASN 49 22.276 14.223 -5.089 396 1HB ASN 49 HB2 ASN 49 23.638 16.287 -6.828 397 2HB ASN 49 HB1 ASN 49 23.352 16.472 -5.098 398 1HD2 ASN 49 HD21 ASN 49 24.322 13.459 -6.782 399 2HD2 ASN 49 HD22 ASN 49 25.809 13.311 -5.982 400 H ALA 50 HN ALA 50 21.413 15.863 -8.086 401 HA ALA 50 HA ALA 50 19.582 17.711 -6.985 402 1HB ALA 50 HB1 ALA 50 20.499 17.834 -9.300 403 2HB ALA 50 HB2 ALA 50 18.742 17.975 -9.245 404 3HB ALA 50 HB3 ALA 50 19.489 16.454 -9.736 405 H VAL 51 HN VAL 51 19.074 14.481 -8.399 406 HA VAL 51 HA VAL 51 16.287 14.395 -8.117 407 HB VAL 51 HB VAL 51 18.380 12.211 -8.105 408 1HG1 VAL 51 HG11 VAL 51 16.314 10.712 -8.656 409 2HG1 VAL 51 HG12 VAL 51 15.359 12.000 -7.936 410 3HG1 VAL 51 HG13 VAL 51 16.573 11.156 -6.971 411 1HG2 VAL 51 HG21 VAL 51 16.322 12.871 -10.236 412 2HG2 VAL 51 HG22 VAL 51 17.782 11.896 -10.399 413 3HG2 VAL 51 HG23 VAL 51 17.907 13.643 -10.200 414 H VAL 52 HN VAL 52 18.840 13.306 -5.878 415 HA VAL 52 HA VAL 52 17.027 12.440 -3.861 416 HB VAL 52 HB VAL 52 19.905 13.329 -3.501 417 1HG1 VAL 52 HG11 VAL 52 18.073 11.549 -1.902 418 2HG1 VAL 52 HG12 VAL 52 18.741 13.109 -1.420 419 3HG1 VAL 52 HG13 VAL 52 19.805 11.717 -1.630 420 1HG2 VAL 52 HG21 VAL 52 20.486 10.984 -3.900 421 2HG2 VAL 52 HG22 VAL 52 19.628 11.613 -5.303 422 3HG2 VAL 52 HG23 VAL 52 18.788 10.580 -4.147 423 H LEU 53 HN LEU 53 18.791 15.456 -4.421 424 HA LEU 53 HA LEU 53 18.131 16.741 -2.010 425 1HB LEU 53 HB2 LEU 53 19.854 17.590 -3.552 426 2HB LEU 53 HB1 LEU 53 18.613 17.971 -4.740 427 HG LEU 53 HG LEU 53 17.589 19.584 -3.124 428 1HD1 LEU 53 HD11 LEU 53 19.844 18.599 -1.365 429 2HD1 LEU 53 HD12 LEU 53 18.147 18.859 -0.960 430 3HD1 LEU 53 HD13 LEU 53 19.218 20.237 -1.166 431 1HD2 LEU 53 HD21 LEU 53 19.189 20.388 -4.780 432 2HD2 LEU 53 HD22 LEU 53 20.535 19.987 -3.713 433 3HD2 LEU 53 HD23 LEU 53 19.409 21.269 -3.269 434 H LYS 54 HN LYS 54 16.457 16.658 -5.132 435 HA LYS 54 HA LYS 54 14.454 18.513 -4.609 436 1HB LYS 54 HB2 LYS 54 13.550 17.788 -6.609 437 2HB LYS 54 HB1 LYS 54 15.012 16.818 -6.714 438 1HG LYS 54 HG2 LYS 54 13.756 14.958 -5.571 439 2HG LYS 54 HG1 LYS 54 12.296 15.902 -5.686 440 1HD LYS 54 HD2 LYS 54 14.020 15.047 -8.013 441 2HD LYS 54 HD1 LYS 54 12.531 14.250 -7.509 442 1HE LYS 54 HE2 LYS 54 12.873 16.974 -8.768 443 2HE LYS 54 HE1 LYS 54 11.750 15.690 -9.207 444 1HZ LYS 54 HZ1 LYS 54 11.621 17.511 -6.878 445 2HZ LYS 54 HZ2 LYS 54 10.687 16.096 -6.977 446 3HZ LYS 54 HZ3 LYS 54 10.489 17.331 -8.128 447 H ARG 55 HN ARG 55 14.698 15.139 -3.619 448 HA ARG 55 HA ARG 55 12.051 14.918 -2.614 449 1HB ARG 55 HB2 ARG 55 14.556 13.357 -1.912 450 2HB ARG 55 HB1 ARG 55 12.921 12.917 -1.414 451 1HG ARG 55 HG2 ARG 55 12.291 12.920 -3.893 452 2HG ARG 55 HG1 ARG 55 14.013 13.064 -4.235 453 1HD ARG 55 HD2 ARG 55 13.441 10.736 -4.359 454 2HD ARG 55 HD1 ARG 55 14.387 10.979 -2.895 455 HE ARG 55 HE ARG 55 11.745 11.271 -2.120 456 1HH1 ARG 55 HH21 ARG 55 13.689 8.852 -3.651 457 2HH1 ARG 55 HH22 ARG 55 12.775 7.523 -3.018 458 1HH2 ARG 55 HH11 ARG 55 10.544 9.536 -1.288 459 2HH2 ARG 55 HH12 ARG 55 10.994 7.911 -1.681 460 H ILE 56 HN ILE 56 15.147 15.808 -1.155 461 HA ILE 56 HA ILE 56 14.235 15.964 1.513 462 HB ILE 56 HB ILE 56 16.413 17.602 0.198 463 1HG1 ILE 56 HG12 ILE 56 16.840 15.286 -0.311 464 2HG1 ILE 56 HG11 ILE 56 17.940 15.757 0.959 465 1HG2 ILE 56 HG21 ILE 56 15.918 16.740 3.052 466 2HG2 ILE 56 HG22 ILE 56 15.887 18.384 2.416 467 3HG2 ILE 56 HG23 ILE 56 17.408 17.496 2.484 468 1HD1 ILE 56 HD11 ILE 56 16.160 14.774 2.569 469 2HD1 ILE 56 HD12 ILE 56 17.140 13.650 1.640 470 3HD1 ILE 56 HD13 ILE 56 15.495 13.998 1.133 471 H GLN 57 HN GLN 57 14.609 18.522 -0.960 472 HA GLN 57 HA GLN 57 13.668 20.668 0.546 473 1HB GLN 57 HB2 GLN 57 13.414 20.105 -2.424 474 2HB GLN 57 HB1 GLN 57 13.045 21.663 -1.688 475 1HG GLN 57 HG2 GLN 57 15.730 20.272 -1.439 476 2HG GLN 57 HG1 GLN 57 15.373 21.508 -2.644 477 1HE2 GLN 57 HE21 GLN 57 17.132 21.396 -0.025 478 2HE2 GLN 57 HE22 GLN 57 16.719 22.845 0.755 479 H HIS 58 HN HIS 58 11.860 18.335 -1.430 480 HA HIS 58 HA HIS 58 9.306 19.509 -0.990 481 1HB HIS 58 HB2 HIS 58 10.095 16.684 -1.767 482 2HB HIS 58 HB1 HIS 58 8.445 17.309 -1.799 483 HD1 HIS 58 HD1 HIS 58 9.501 20.220 -2.806 484 HD2 HIS 58 HD2 HIS 58 10.148 16.536 -4.649 485 HE1 HIS 58 HE1 HIS 58 10.003 20.715 -5.238 486 HE2 HIS 58 HE2 HIS 58 10.399 18.479 -6.376 487 H LEU 59 HN LEU 59 11.225 17.087 0.695 488 HA LEU 59 HA LEU 59 9.229 16.043 2.346 489 1HB LEU 59 HB2 LEU 59 11.792 15.411 2.040 490 2HB LEU 59 HB1 LEU 59 12.022 16.458 3.420 491 HG LEU 59 HG LEU 59 11.797 14.162 4.172 492 1HD1 LEU 59 HD11 LEU 59 10.298 14.503 5.903 493 2HD1 LEU 59 HD12 LEU 59 9.121 15.305 4.873 494 3HD1 LEU 59 HD13 LEU 59 10.572 16.156 5.368 495 1HD2 LEU 59 HD21 LEU 59 8.949 13.877 3.269 496 2HD2 LEU 59 HD22 LEU 59 10.189 12.661 3.506 497 3HD2 LEU 59 HD23 LEU 59 10.204 13.637 2.048 498 H ASP 60 HN ASP 60 11.202 18.955 2.726 499 HA ASP 60 HA ASP 60 10.567 19.667 5.329 500 1HB ASP 60 HB2 ASP 60 10.943 21.434 2.892 501 2HB ASP 60 HB1 ASP 60 10.850 22.051 4.542 502 H GLU 61 HN GLU 61 8.546 19.680 2.500 503 HA GLU 61 HA GLU 61 6.540 21.471 3.368 504 1HB GLU 61 HB2 GLU 61 5.345 20.780 1.478 505 2HB GLU 61 HB1 GLU 61 6.978 20.304 1.029 506 1HG GLU 61 HG2 GLU 61 6.368 17.977 2.051 507 2HG GLU 61 HG1 GLU 61 4.708 18.537 2.003 508 H ALA 62 HN ALA 62 7.040 18.026 3.924 509 HA ALA 62 HA ALA 62 4.517 17.604 5.195 510 1HB ALA 62 HB1 ALA 62 5.309 15.393 5.644 511 2HB ALA 62 HB2 ALA 62 6.982 15.897 5.529 512 3HB ALA 62 HB3 ALA 62 5.987 15.831 4.080 513 H TYR 63 HN TYR 63 7.848 17.826 6.434 514 HA TYR 63 HA TYR 63 7.350 17.595 9.115 515 1HB TYR 63 HB2 TYR 63 9.637 17.816 8.983 516 2HB TYR 63 HB1 TYR 63 9.514 18.636 7.432 517 HD1 TYR 63 HD1 TYR 63 9.274 19.145 11.106 518 HD2 TYR 63 HD2 TYR 63 9.798 21.023 7.289 519 HE1 TYR 63 HE1 TYR 63 9.779 21.288 12.240 520 HE2 TYR 63 HE2 TYR 63 10.292 23.175 8.416 521 HH TYR 63 HH TYR 63 9.714 24.220 10.705 522 H ASN 64 HN ASN 64 7.099 20.473 7.064 523 HA ASN 64 HA ASN 64 6.559 22.359 9.095 524 1HB ASN 64 HB2 ASN 64 7.258 22.982 6.819 525 2HB ASN 64 HB1 ASN 64 5.731 22.373 6.180 526 1HD2 ASN 64 HD21 ASN 64 7.235 25.202 7.162 527 2HD2 ASN 64 HD22 ASN 64 5.855 26.116 7.542 528 H LYS 65 HN LYS 65 4.569 20.064 7.374 529 HA LYS 65 HA LYS 65 2.051 21.179 7.972 530 1HB LYS 65 HB2 LYS 65 2.650 19.262 6.323 531 2HB LYS 65 HB1 LYS 65 2.571 18.204 7.726 532 1HG LYS 65 HG2 LYS 65 0.338 18.067 7.037 533 2HG LYS 65 HG1 LYS 65 0.207 19.450 8.106 534 1HD LYS 65 HD2 LYS 65 0.526 20.957 6.133 535 2HD LYS 65 HD1 LYS 65 0.547 19.534 5.090 536 1HE LYS 65 HE2 LYS 65 -1.705 20.454 5.107 537 2HE LYS 65 HE1 LYS 65 -1.712 18.914 5.970 538 1HZ LYS 65 HZ1 LYS 65 -2.903 20.672 7.169 539 2HZ LYS 65 HZ2 LYS 65 -1.470 21.580 7.256 540 3HZ LYS 65 HZ3 LYS 65 -1.580 20.083 8.051 541 H VAL 66 HN VAL 66 4.191 19.015 9.751 542 HA VAL 66 HA VAL 66 2.349 18.290 11.768 543 HB VAL 66 HB VAL 66 5.375 18.354 11.845 544 1HG1 VAL 66 HG11 VAL 66 4.517 18.240 14.110 545 2HG1 VAL 66 HG12 VAL 66 5.037 16.623 13.644 546 3HG1 VAL 66 HG13 VAL 66 3.322 17.031 13.641 547 1HG2 VAL 66 HG21 VAL 66 3.374 16.175 11.178 548 2HG2 VAL 66 HG22 VAL 66 5.111 15.930 11.342 549 3HG2 VAL 66 HG23 VAL 66 4.483 16.951 10.049 550 H LYS 67 HN LYS 67 4.764 20.824 11.531 551 HA LYS 67 HA LYS 67 4.543 21.885 14.105 552 1HB LYS 67 HB2 LYS 67 5.240 23.175 11.483 553 2HB LYS 67 HB1 LYS 67 5.602 23.823 13.074 554 1HG LYS 67 HG2 LYS 67 6.492 20.985 12.480 555 2HG LYS 67 HG1 LYS 67 7.371 22.272 11.760 556 1HD LYS 67 HD2 LYS 67 6.799 22.290 14.729 557 2HD LYS 67 HD1 LYS 67 8.148 21.354 14.095 558 1HE LYS 67 HE2 LYS 67 9.150 23.401 13.148 559 2HE LYS 67 HE1 LYS 67 7.784 24.359 13.700 560 1HZ LYS 67 HZ1 LYS 67 8.493 24.322 15.819 561 2HZ LYS 67 HZ2 LYS 67 10.010 24.026 15.113 562 3HZ LYS 67 HZ3 LYS 67 9.087 22.736 15.723 563 H ARG 68 HN ARG 68 2.967 22.725 11.051 564 HA ARG 68 HA ARG 68 1.407 24.849 12.138 565 1HB ARG 68 HB2 ARG 68 2.084 24.548 9.701 566 2HB ARG 68 HB1 ARG 68 0.840 23.305 9.596 567 1HG ARG 68 HG2 ARG 68 -0.874 24.925 10.241 568 2HG ARG 68 HG1 ARG 68 0.352 26.167 10.466 569 1HD ARG 68 HD2 ARG 68 -0.690 26.484 8.302 570 2HD ARG 68 HD1 ARG 68 0.965 25.934 8.063 571 HE ARG 68 HE ARG 68 -0.826 23.717 8.119 572 1HH1 ARG 68 HH21 ARG 68 0.223 26.402 6.204 573 2HH1 ARG 68 HH22 ARG 68 -0.118 25.632 4.690 574 1HH2 ARG 68 HH11 ARG 68 -1.268 22.698 6.136 575 2HH2 ARG 68 HH12 ARG 68 -0.962 23.536 4.651 576 H GLY 69 HN GLY 69 1.196 21.481 12.339 577 1HA GLY 69 HA2 GLY 69 -1.740 21.390 12.618 578 2HA GLY 69 HA1 GLY 69 -0.636 20.020 12.624 579 H GLU 70 HN GLU 70 1.198 21.170 14.523 580 HA GLU 70 HA GLU 70 -0.262 20.531 16.979 581 1HB GLU 70 HB2 GLU 70 1.893 20.154 17.927 582 2HB GLU 70 HB1 GLU 70 1.937 19.488 16.303 583 1HG GLU 70 HG2 GLU 70 3.920 20.697 16.305 584 2HG GLU 70 HG1 GLU 70 2.809 21.873 15.652 585 H SER 71 HN SER 71 1.403 23.208 15.437 586 HA SER 71 HA SER 71 0.290 25.057 17.459 587 1HB SER 71 HB2 SER 71 2.470 26.302 17.448 588 2HB SER 71 HB1 SER 71 2.547 24.725 18.221 589 HG SER 71 HG SER 71 3.774 25.648 15.954 590 H LYS 72 HN LYS 72 0.491 27.343 16.729 591 HA LYS 72 HA LYS 72 0.017 27.540 13.790 592 1HB LYS 72 HB2 LYS 72 -0.990 29.245 16.079 593 2HB LYS 72 HB1 LYS 72 -1.280 29.572 14.369 594 1HG LYS 72 HG2 LYS 72 -2.376 27.366 14.139 595 2HG LYS 72 HG1 LYS 72 -2.110 27.063 15.855 596 1HD LYS 72 HD2 LYS 72 -3.466 29.038 16.423 597 2HD LYS 72 HD1 LYS 72 -3.734 29.349 14.707 598 1HE LYS 72 HE2 LYS 72 -4.837 27.156 14.477 599 2HE LYS 72 HE1 LYS 72 -4.570 26.842 16.193 600 1HZ LYS 72 HZ1 LYS 72 -5.977 29.276 15.310 601 2HZ LYS 72 HZ2 LYS 72 -6.045 28.489 16.814 602 3HZ LYS 72 HZ3 LYS 72 -6.812 27.808 15.459 603 H LEU 73 HN LEU 73 2.144 28.407 16.296 604 HA LEU 73 HA LEU 73 3.924 29.811 16.436 605 1HB LEU 73 HB2 LEU 73 4.234 28.446 14.165 606 2HB LEU 73 HB1 LEU 73 4.047 30.026 13.425 607 HG LEU 73 HG LEU 73 6.079 29.291 15.558 608 1HD1 LEU 73 HD11 LEU 73 6.455 29.942 12.617 609 2HD1 LEU 73 HD12 LEU 73 6.490 28.313 13.294 610 3HD1 LEU 73 HD13 LEU 73 7.721 29.487 13.756 611 1HD2 LEU 73 HD21 LEU 73 7.052 31.562 14.913 612 2HD2 LEU 73 HD22 LEU 73 5.540 31.621 15.810 613 3HD2 LEU 73 HD23 LEU 73 5.538 31.878 14.065 614 H GLU 74 HN GLU 74 2.141 31.288 17.209 615 HA GLU 74 HA GLU 74 1.444 33.515 15.465 616 1HB GLU 74 HB2 GLU 74 0.937 32.982 18.402 617 2HB GLU 74 HB1 GLU 74 0.345 34.399 17.536 618 1HG GLU 74 HG2 GLU 74 -0.887 32.942 15.976 619 2HG GLU 74 HG1 GLU 74 -0.282 31.518 16.822 620 H HIS 75 HN HIS 75 2.464 33.946 18.788 621 HA HIS 75 HA HIS 75 4.966 35.257 18.031 622 1HB HIS 75 HB2 HIS 75 3.176 37.001 17.749 623 2HB HIS 75 HB1 HIS 75 2.798 36.819 19.461 624 HD1 HIS 75 HD1 HIS 75 5.747 37.705 17.224 625 HD2 HIS 75 HD2 HIS 75 4.448 38.306 21.138 626 HE1 HIS 75 HE1 HIS 75 7.397 39.306 18.288 627 HE2 HIS 75 HE2 HIS 75 6.618 39.682 20.675 628 H HIS 76 HN HIS 76 6.391 35.508 19.733 629 HA HIS 76 HA HIS 76 5.551 34.758 22.454 630 1HB HIS 76 HB2 HIS 76 7.679 33.264 20.899 631 2HB HIS 76 HB1 HIS 76 7.353 33.072 22.621 632 HD1 HIS 76 HD1 HIS 76 5.922 32.334 19.232 633 HD2 HIS 76 HD2 HIS 76 4.952 31.656 23.230 634 HE1 HIS 76 HE1 HIS 76 4.017 30.665 19.233 635 HE2 HIS 76 HE2 HIS 76 3.415 30.241 21.663 636 H HIS 77 HN HIS 77 7.923 36.047 20.221 637 HA HIS 77 HA HIS 77 9.898 36.773 22.120 638 1HB HIS 77 HB2 HIS 77 9.226 38.012 19.439 639 2HB HIS 77 HB1 HIS 77 10.697 38.324 20.362 640 HD1 HIS 77 HD1 HIS 77 12.148 36.061 20.926 641 HD2 HIS 77 HD2 HIS 77 9.423 35.801 17.783 642 HE1 HIS 77 HE1 HIS 77 12.816 34.032 19.565 643 HE2 HIS 77 HE2 HIS 77 11.164 33.860 17.645 644 H HIS 78 HN HIS 78 8.756 37.661 23.896 645 HA HIS 78 HA HIS 78 6.949 39.791 23.803 646 1HB HIS 78 HB2 HIS 78 8.968 39.111 25.955 647 2HB HIS 78 HB1 HIS 78 7.587 40.189 26.158 648 HD1 HIS 78 HD1 HIS 78 5.175 38.989 25.524 649 HD2 HIS 78 HD2 HIS 78 8.351 36.470 26.495 650 HE1 HIS 78 HE1 HIS 78 4.157 36.745 26.107 651 HE2 HIS 78 HE2 HIS 78 6.080 35.198 26.701 652 H HIS 79 HN HIS 79 10.251 40.192 25.048 653 HA HIS 79 HA HIS 79 10.795 42.425 23.248 654 1HB HIS 79 HB2 HIS 79 10.473 42.838 26.234 655 2HB HIS 79 HB1 HIS 79 11.171 44.016 25.123 656 HD1 HIS 79 HD1 HIS 79 7.920 42.490 26.163 657 HD2 HIS 79 HD2 HIS 79 9.286 45.221 23.324 658 HE1 HIS 79 HE1 HIS 79 5.865 43.632 25.220 659 HE2 HIS 79 HE2 HIS 79 6.681 45.300 23.487 660 H HIS 80 HN HIS 80 11.802 40.813 26.272 661 HA HIS 80 HA HIS 80 14.553 41.436 26.003 662 1HB HIS 80 HB2 HIS 80 13.493 40.716 28.131 663 2HB HIS 80 HB1 HIS 80 13.286 39.099 27.457 664 HD1 HIS 80 HD1 HIS 80 16.076 41.579 28.215 665 HD2 HIS 80 HD2 HIS 80 15.521 37.474 27.747 666 HE1 HIS 80 HE1 HIS 80 18.285 40.486 28.800 667 HE2 HIS 80 HE2 HIS 80 17.962 37.983 28.519 668 1H MET 1 HT1 MET 1 44.138 30.632 3.966 669 2H MET 1 HT2 MET 1 44.262 29.125 4.740 670 3H MET 1 HT3 MET 1 45.202 30.436 5.272 671 HA MET 1 HA MET 1 43.590 31.243 6.551 672 1HB MET 1 HB2 MET 1 41.751 30.569 4.234 673 2HB MET 1 HB1 MET 1 41.226 31.391 5.704 674 1HG MET 1 HG2 MET 1 42.872 33.189 5.281 675 2HG MET 1 HG1 MET 1 43.368 32.375 3.797 676 1HE MET 1 HE1 MET 1 41.509 35.433 2.430 677 2HE MET 1 HE2 MET 1 42.785 34.279 2.048 678 3HE MET 1 HE3 MET 1 42.806 35.125 3.593 679 H SER 2 HN SER 2 44.058 29.517 7.970 680 HA SER 2 HA SER 2 42.839 26.951 7.759 681 1HB SER 2 HB2 SER 2 44.092 28.380 10.117 682 2HB SER 2 HB1 SER 2 43.601 26.688 10.124 683 HG SER 2 HG SER 2 45.781 27.900 8.990 684 H GLU 3 HN GLU 3 42.326 28.001 10.892 685 HA GLU 3 HA GLU 3 40.438 28.254 12.174 686 1HB GLU 3 HB2 GLU 3 39.555 29.812 9.727 687 2HB GLU 3 HB1 GLU 3 38.674 29.783 11.249 688 1HG GLU 3 HG2 GLU 3 40.597 30.717 12.425 689 2HG GLU 3 HG1 GLU 3 41.560 30.661 10.949 690 H LEU 4 HN LEU 4 38.839 26.881 12.692 691 HA LEU 4 HA LEU 4 37.377 25.113 12.505 692 1HB LEU 4 HB2 LEU 4 36.614 26.912 10.201 693 2HB LEU 4 HB1 LEU 4 35.767 25.386 10.440 694 HG LEU 4 HG LEU 4 35.164 26.063 12.726 695 1HD1 LEU 4 HD11 LEU 4 36.744 28.554 12.018 696 2HD1 LEU 4 HD12 LEU 4 36.982 27.469 13.389 697 3HD1 LEU 4 HD13 LEU 4 35.570 28.517 13.335 698 1HD2 LEU 4 HD21 LEU 4 33.591 27.862 12.099 699 2HD2 LEU 4 HD22 LEU 4 33.675 26.628 10.841 700 3HD2 LEU 4 HD23 LEU 4 34.520 28.160 10.629 701 H PHE 5 HN PHE 5 40.031 25.256 10.795 702 HA PHE 5 HA PHE 5 39.700 23.588 8.558 703 1HB PHE 5 HB2 PHE 5 41.749 24.898 9.030 704 2HB PHE 5 HB1 PHE 5 42.111 23.820 10.377 705 HD1 PHE 5 HD2 PHE 5 41.721 24.030 6.695 706 HD2 PHE 5 HD1 PHE 5 43.012 21.600 9.993 707 HE1 PHE 5 HE2 PHE 5 42.781 22.443 5.111 708 HE2 PHE 5 HE1 PHE 5 44.072 20.013 8.410 709 HZ PHE 5 HZ PHE 5 43.957 20.435 5.969 710 H SER 6 HN SER 6 40.513 22.825 11.930 711 HA SER 6 HA SER 6 40.629 19.987 11.476 712 1HB SER 6 HB2 SER 6 41.386 19.909 13.671 713 2HB SER 6 HB1 SER 6 41.615 21.627 13.401 714 HG SER 6 HG SER 6 39.399 20.338 14.617 715 H VAL 7 HN VAL 7 39.023 18.515 11.599 716 HA VAL 7 HA VAL 7 36.313 19.362 11.659 717 HB VAL 7 HB VAL 7 37.352 16.527 11.988 718 1HG1 VAL 7 HG11 VAL 7 34.691 17.671 11.177 719 2HG1 VAL 7 HG12 VAL 7 35.041 16.700 12.604 720 3HG1 VAL 7 HG13 VAL 7 35.135 15.977 11.002 721 1HG2 VAL 7 HG21 VAL 7 36.561 18.009 9.470 722 2HG2 VAL 7 HG22 VAL 7 37.130 16.343 9.576 723 3HG2 VAL 7 HG23 VAL 7 38.226 17.671 9.947 724 HA PRO 8 HA PRO 8 36.551 17.267 16.125 725 1HB PRO 8 HB2 PRO 8 39.133 18.668 16.838 726 2HB PRO 8 HB1 PRO 8 38.496 17.122 17.444 727 1HG PRO 8 HG2 PRO 8 40.425 17.120 15.642 728 2HG PRO 8 HG1 PRO 8 39.069 15.983 15.477 729 1HD PRO 8 HD2 PRO 8 39.558 18.543 13.996 730 2HD PRO 8 HD1 PRO 8 38.954 17.010 13.383 731 H TYR 9 HN TYR 9 37.187 20.385 14.826 732 HA TYR 9 HA TYR 9 36.592 21.952 17.156 733 1HB TYR 9 HB2 TYR 9 37.906 22.832 15.234 734 2HB TYR 9 HB1 TYR 9 36.459 22.741 14.230 735 HD1 TYR 9 HD2 TYR 9 38.029 24.423 17.126 736 HD2 TYR 9 HD1 TYR 9 34.610 24.317 14.523 737 HE1 TYR 9 HE2 TYR 9 37.300 26.631 17.992 738 HE2 TYR 9 HE1 TYR 9 33.885 26.524 15.390 739 HH TYR 9 HH TYR 9 34.185 27.936 17.307 740 H PHE 10 HN PHE 10 34.744 20.781 14.378 741 HA PHE 10 HA PHE 10 32.322 22.140 15.134 742 1HB PHE 10 HB2 PHE 10 33.256 20.631 12.863 743 2HB PHE 10 HB1 PHE 10 31.768 19.856 13.394 744 HD1 PHE 10 HD2 PHE 10 33.204 23.285 12.819 745 HD2 PHE 10 HD1 PHE 10 29.731 20.766 12.571 746 HE1 PHE 10 HE2 PHE 10 31.936 25.135 11.760 747 HE2 PHE 10 HE1 PHE 10 28.469 22.618 11.517 748 HZ PHE 10 HZ PHE 10 29.564 24.797 11.109 749 H ILE 11 HN ILE 11 33.483 18.793 15.414 750 HA ILE 11 HA ILE 11 31.163 17.747 16.598 751 HB ILE 11 HB ILE 11 34.011 16.829 17.007 752 1HG1 ILE 11 HG12 ILE 11 31.973 16.079 14.872 753 2HG1 ILE 11 HG11 ILE 11 33.412 17.055 14.606 754 1HG2 ILE 11 HG21 ILE 11 32.982 14.659 17.430 755 2HG2 ILE 11 HG22 ILE 11 31.379 15.322 17.157 756 3HG2 ILE 11 HG23 ILE 11 32.323 15.827 18.558 757 1HD1 ILE 11 HD11 ILE 11 33.267 14.146 15.400 758 2HD1 ILE 11 HD12 ILE 11 34.762 15.083 15.478 759 3HD1 ILE 11 HD13 ILE 11 33.959 14.828 13.929 760 H GLU 12 HN GLU 12 34.112 19.093 18.046 761 HA GLU 12 HA GLU 12 33.594 18.639 20.735 762 1HB GLU 12 HB2 GLU 12 35.063 20.803 19.236 763 2HB GLU 12 HB1 GLU 12 34.857 20.981 20.976 764 1HG GLU 12 HG2 GLU 12 35.991 18.446 19.741 765 2HG GLU 12 HG1 GLU 12 37.015 19.806 20.198 766 H ASN 13 HN ASN 13 31.903 20.711 18.550 767 HA ASN 13 HA ASN 13 30.807 22.545 20.426 768 1HB ASN 13 HB2 ASN 13 30.833 22.767 17.879 769 2HB ASN 13 HB1 ASN 13 29.478 21.643 17.856 770 1HD2 ASN 13 HD21 ASN 13 30.427 24.939 18.538 771 2HD2 ASN 13 HD22 ASN 13 28.877 25.512 18.927 772 H LEU 14 HN LEU 14 29.836 19.351 19.292 773 HA LEU 14 HA LEU 14 27.271 19.367 20.594 774 1HB LEU 14 HB2 LEU 14 28.932 17.089 19.485 775 2HB LEU 14 HB1 LEU 14 27.293 16.926 20.105 776 HG LEU 14 HG LEU 14 26.885 18.987 18.308 777 1HD1 LEU 14 HD11 LEU 14 29.295 18.832 17.598 778 2HD1 LEU 14 HD12 LEU 14 28.142 18.607 16.286 779 3HD1 LEU 14 HD13 LEU 14 28.950 17.212 16.998 780 1HD2 LEU 14 HD21 LEU 14 25.607 16.877 18.408 781 2HD2 LEU 14 HD22 LEU 14 26.932 16.038 17.600 782 3HD2 LEU 14 HD23 LEU 14 26.032 17.290 16.749 783 H LYS 15 HN LYS 15 30.508 18.268 21.415 784 HA LYS 15 HA LYS 15 29.954 16.685 23.616 785 1HB LYS 15 HB2 LYS 15 32.173 16.891 22.643 786 2HB LYS 15 HB1 LYS 15 32.275 18.556 23.193 787 1HG LYS 15 HG2 LYS 15 31.611 16.605 25.370 788 2HG LYS 15 HG1 LYS 15 33.193 16.345 24.655 789 1HD LYS 15 HD2 LYS 15 32.345 19.125 25.530 790 2HD LYS 15 HD1 LYS 15 33.003 17.980 26.694 791 1HE LYS 15 HE2 LYS 15 35.056 17.763 25.379 792 2HE LYS 15 HE1 LYS 15 34.409 18.827 24.135 793 1HZ LYS 15 HZ1 LYS 15 34.792 19.614 26.968 794 2HZ LYS 15 HZ2 LYS 15 34.343 20.625 25.680 795 3HZ LYS 15 HZ3 LYS 15 35.901 19.951 25.729 796 H GLN 16 HN GLN 16 30.240 20.203 23.384 797 HA GLN 16 HA GLN 16 30.009 20.755 26.168 798 1HB GLN 16 HB2 GLN 16 30.836 22.357 24.411 799 2HB GLN 16 HB1 GLN 16 29.168 22.531 23.865 800 1HG GLN 16 HG2 GLN 16 28.509 23.307 26.116 801 2HG GLN 16 HG1 GLN 16 30.175 23.131 26.662 802 1HE2 GLN 16 HE21 GLN 16 31.287 25.077 26.645 803 2HE2 GLN 16 HE22 GLN 16 31.004 26.352 25.562 804 H HIS 17 HN HIS 17 27.648 20.264 23.597 805 HA HIS 17 HA HIS 17 25.383 21.200 25.009 806 1HB HIS 17 HB2 HIS 17 25.483 19.027 22.897 807 2HB HIS 17 HB1 HIS 17 24.065 19.942 23.391 808 HD1 HIS 17 HD1 HIS 17 26.489 22.418 23.572 809 HD2 HIS 17 HD2 HIS 17 24.730 20.483 20.326 810 HE1 HIS 17 HE1 HIS 17 26.794 23.947 21.576 811 HE2 HIS 17 HE2 HIS 17 25.727 22.782 19.589 812 H ILE 18 HN ILE 18 26.632 17.877 24.602 813 HA ILE 18 HA ILE 18 24.742 16.751 26.461 814 HB ILE 18 HB ILE 18 26.045 14.683 26.183 815 1HG1 ILE 18 HG12 ILE 18 27.966 16.517 24.731 816 2HG1 ILE 18 HG11 ILE 18 28.311 15.552 26.156 817 1HG2 ILE 18 HG21 ILE 18 25.570 14.366 23.861 818 2HG2 ILE 18 HG22 ILE 18 25.838 16.068 23.485 819 3HG2 ILE 18 HG23 ILE 18 24.421 15.575 24.402 820 1HD1 ILE 18 HD11 ILE 18 27.742 13.498 24.717 821 2HD1 ILE 18 HD12 ILE 18 29.265 14.322 24.382 822 3HD1 ILE 18 HD13 ILE 18 27.873 14.589 23.335 823 H GLU 19 HN GLU 19 28.195 17.570 26.604 824 HA GLU 19 HA GLU 19 28.573 16.692 29.280 825 1HB GLU 19 HB2 GLU 19 30.390 17.096 27.569 826 2HB GLU 19 HB1 GLU 19 30.165 18.823 27.823 827 1HG GLU 19 HG2 GLU 19 30.794 16.901 30.090 828 2HG GLU 19 HG1 GLU 19 32.044 17.731 29.172 829 H MET 20 HN MET 20 28.089 19.943 27.894 830 HA MET 20 HA MET 20 27.658 21.046 30.581 831 1HB MET 20 HB2 MET 20 28.911 22.100 28.395 832 2HB MET 20 HB1 MET 20 27.316 22.794 28.165 833 1HG MET 20 HG2 MET 20 28.485 24.387 29.502 834 2HG MET 20 HG1 MET 20 27.457 23.519 30.634 835 1HE MET 20 HE1 MET 20 31.976 23.466 30.175 836 2HE MET 20 HE2 MET 20 30.762 24.070 29.054 837 3HE MET 20 HE3 MET 20 31.170 22.357 29.061 838 H ASN 21 HN ASN 21 25.892 23.118 29.694 839 HA ASN 21 HA ASN 21 23.476 21.954 28.663 840 1HB ASN 21 HB2 ASN 21 22.155 22.141 30.720 841 2HB ASN 21 HB1 ASN 21 23.469 20.984 30.929 842 1HD2 ASN 21 HD21 ASN 21 22.396 22.116 33.238 843 2HD2 ASN 21 HD22 ASN 21 23.494 23.227 33.901 844 H GLN 22 HN GLN 22 25.034 24.195 27.962 845 HA GLN 22 HA GLN 22 24.217 26.638 29.048 846 1HB GLN 22 HB2 GLN 22 24.896 27.618 26.885 847 2HB GLN 22 HB1 GLN 22 26.082 26.448 27.464 848 1HG GLN 22 HG2 GLN 22 24.948 24.713 26.010 849 2HG GLN 22 HG1 GLN 22 23.977 26.015 25.327 850 1HE2 GLN 22 HE21 GLN 22 24.865 26.106 23.221 851 2HE2 GLN 22 HE22 GLN 22 26.498 26.449 22.912 852 H SER 23 HN SER 23 22.740 24.614 26.568 853 HA SER 23 HA SER 23 20.111 25.366 27.073 854 1HB SER 23 HB2 SER 23 20.375 27.592 26.325 855 2HB SER 23 HB1 SER 23 21.520 27.127 25.071 856 HG SER 23 HG SER 23 18.989 27.535 24.772 857 H GLU 24 HN GLU 24 20.579 22.981 26.694 858 HA GLU 24 HA GLU 24 19.454 22.267 24.152 859 1HB GLU 24 HB2 GLU 24 22.056 22.627 23.822 860 2HB GLU 24 HB1 GLU 24 22.197 21.058 24.595 861 1HG GLU 24 HG2 GLU 24 22.063 20.580 22.248 862 2HG GLU 24 HG1 GLU 24 20.459 20.218 22.882 863 H ASP 25 HN ASP 25 21.004 19.587 24.552 864 HA ASP 25 HA ASP 25 19.867 18.556 27.025 865 1HB ASP 25 HB2 ASP 25 18.853 17.592 24.335 866 2HB ASP 25 HB1 ASP 25 18.435 16.905 25.905 867 H LYS 26 HN LYS 26 19.849 15.861 26.240 868 HA LYS 26 HA LYS 26 22.746 15.384 26.095 869 1HB LYS 26 HB2 LYS 26 21.325 14.327 27.861 870 2HB LYS 26 HB1 LYS 26 20.513 13.398 26.607 871 1HG LYS 26 HG2 LYS 26 22.698 12.435 25.931 872 2HG LYS 26 HG1 LYS 26 23.495 13.368 27.194 873 1HD LYS 26 HD2 LYS 26 22.078 12.220 28.892 874 2HD LYS 26 HD1 LYS 26 21.365 11.245 27.606 875 1HE LYS 26 HE2 LYS 26 24.319 11.328 28.281 876 2HE LYS 26 HE1 LYS 26 23.207 10.045 28.759 877 1HZ LYS 26 HZ1 LYS 26 23.415 9.120 26.776 878 2HZ LYS 26 HZ2 LYS 26 24.592 10.277 26.376 879 3HZ LYS 26 HZ3 LYS 26 22.962 10.555 25.996 880 H ILE 27 HN ILE 27 20.750 12.821 24.966 881 HA ILE 27 HA ILE 27 22.138 12.607 22.513 882 HB ILE 27 HB ILE 27 19.436 11.441 23.197 883 1HG1 ILE 27 HG12 ILE 27 21.036 10.933 24.980 884 2HG1 ILE 27 HG11 ILE 27 20.688 9.488 24.045 885 1HG2 ILE 27 HG21 ILE 27 20.224 9.628 21.645 886 2HG2 ILE 27 HG22 ILE 27 21.605 10.647 21.240 887 3HG2 ILE 27 HG23 ILE 27 19.971 11.188 20.861 888 1HD1 ILE 27 HD11 ILE 27 23.018 9.500 24.398 889 2HD1 ILE 27 HD12 ILE 27 23.194 11.185 23.972 890 3HD1 ILE 27 HD13 ILE 27 22.830 9.990 22.722 891 H HIS 28 HN HIS 28 18.984 13.987 23.342 892 HA HIS 28 HA HIS 28 18.154 14.500 20.691 893 1HB HIS 28 HB2 HIS 28 16.678 14.588 22.718 894 2HB HIS 28 HB1 HIS 28 17.441 16.112 23.150 895 HD1 HIS 28 HD1 HIS 28 17.008 18.165 21.562 896 HD2 HIS 28 HD2 HIS 28 14.820 14.749 20.596 897 HE1 HIS 28 HE1 HIS 28 15.210 18.902 19.935 898 HE2 HIS 28 HE2 HIS 28 13.868 16.830 19.337 899 H ALA 29 HN ALA 29 20.877 15.602 22.099 900 HA ALA 29 HA ALA 29 20.835 18.387 21.402 901 1HB ALA 29 HB1 ALA 29 23.239 18.325 21.812 902 2HB ALA 29 HB2 ALA 29 23.209 16.562 21.838 903 3HB ALA 29 HB3 ALA 29 22.385 17.478 23.100 904 H MET 30 HN MET 30 22.199 15.473 19.879 905 HA MET 30 HA MET 30 23.345 16.752 17.662 906 1HB MET 30 HB2 MET 30 23.392 14.559 16.629 907 2HB MET 30 HB1 MET 30 23.787 14.393 18.336 908 1HG MET 30 HG2 MET 30 22.205 12.674 18.128 909 2HG MET 30 HG1 MET 30 21.144 14.000 18.555 910 1HE MET 30 HE1 MET 30 20.640 11.177 17.043 911 2HE MET 30 HE2 MET 30 19.335 11.643 15.965 912 3HE MET 30 HE3 MET 30 19.357 12.227 17.625 913 H ASN 31 HN ASN 31 20.075 15.425 18.167 914 HA ASN 31 HA ASN 31 19.089 15.672 15.578 915 1HB ASN 31 HB2 ASN 31 17.699 16.185 18.222 916 2HB ASN 31 HB1 ASN 31 16.848 16.086 16.682 917 1HD2 ASN 31 HD21 ASN 31 17.807 13.960 15.378 918 2HD2 ASN 31 HD22 ASN 31 17.739 12.543 16.312 919 H SER 32 HN SER 32 19.041 18.172 18.144 920 HA SER 32 HA SER 32 17.927 20.193 16.477 921 1HB SER 32 HB2 SER 32 19.603 20.390 18.980 922 2HB SER 32 HB1 SER 32 18.766 21.752 18.242 923 HG SER 32 HG SER 32 17.716 20.360 20.000 924 H TYR 33 HN TYR 33 21.285 19.762 17.634 925 HA TYR 33 HA TYR 33 22.460 21.796 16.122 926 1HB TYR 33 HB2 TYR 33 23.615 20.629 17.951 927 2HB TYR 33 HB1 TYR 33 23.657 19.146 16.996 928 HD1 TYR 33 HD2 TYR 33 24.899 22.628 17.238 929 HD2 TYR 33 HD1 TYR 33 25.241 18.879 15.173 930 HE1 TYR 33 HE2 TYR 33 26.969 23.430 16.131 931 HE2 TYR 33 HE1 TYR 33 27.313 19.681 14.061 932 HH TYR 33 HH TYR 33 28.188 22.722 13.771 933 H TYR 34 HN TYR 34 22.022 18.355 15.328 934 HA TYR 34 HA TYR 34 23.312 18.334 12.845 935 1HB TYR 34 HB2 TYR 34 22.588 16.285 14.021 936 2HB TYR 34 HB1 TYR 34 20.900 16.708 13.724 937 HD1 TYR 34 HD2 TYR 34 24.092 15.719 12.178 938 HD2 TYR 34 HD1 TYR 34 19.901 16.380 11.532 939 HE1 TYR 34 HE2 TYR 34 24.273 14.679 9.927 940 HE2 TYR 34 HE1 TYR 34 20.074 15.318 9.298 941 HH TYR 34 HH TYR 34 23.146 13.930 8.152 942 H ARG 35 HN ARG 35 19.893 18.947 13.642 943 HA ARG 35 HA ARG 35 19.118 19.450 10.935 944 1HB ARG 35 HB2 ARG 35 17.528 18.732 12.703 945 2HB ARG 35 HB1 ARG 35 17.742 20.292 13.496 946 1HG ARG 35 HG2 ARG 35 16.874 21.461 11.535 947 2HG ARG 35 HG1 ARG 35 16.772 19.943 10.643 948 1HD ARG 35 HD2 ARG 35 15.127 19.093 12.256 949 2HD ARG 35 HD1 ARG 35 15.247 20.585 13.184 950 HE ARG 35 HE ARG 35 13.749 20.193 10.753 951 1HH1 ARG 35 HH21 ARG 35 15.535 22.456 12.666 952 2HH1 ARG 35 HH22 ARG 35 14.696 23.843 12.056 953 1HH2 ARG 35 HH11 ARG 35 12.643 22.006 9.951 954 2HH2 ARG 35 HH12 ARG 35 13.059 23.589 10.519 955 H SER 36 HN SER 36 20.552 21.355 13.461 956 HA SER 36 HA SER 36 19.797 23.926 12.417 957 1HB SER 36 HB2 SER 36 21.250 24.851 14.053 958 2HB SER 36 HB1 SER 36 20.595 23.398 14.802 959 HG SER 36 HG SER 36 23.120 23.762 13.562 960 H VAL 37 HN VAL 37 22.761 21.961 12.237 961 HA VAL 37 HA VAL 37 24.145 23.816 10.553 962 HB VAL 37 HB VAL 37 24.583 20.865 11.089 963 1HG1 VAL 37 HG11 VAL 37 26.188 22.871 9.470 964 2HG1 VAL 37 HG12 VAL 37 25.645 21.262 8.990 965 3HG1 VAL 37 HG13 VAL 37 26.930 21.439 10.165 966 1HG2 VAL 37 HG21 VAL 37 25.927 23.380 12.140 967 2HG2 VAL 37 HG22 VAL 37 26.460 21.733 12.482 968 3HG2 VAL 37 HG23 VAL 37 24.887 22.286 13.058 969 H VAL 38 HN VAL 38 22.691 20.621 9.836 970 HA VAL 38 HA VAL 38 23.045 20.586 7.091 971 HB VAL 38 HB VAL 38 20.740 19.530 8.757 972 1HG1 VAL 38 HG11 VAL 38 21.375 19.115 5.819 973 2HG1 VAL 38 HG12 VAL 38 19.855 19.670 6.521 974 3HG1 VAL 38 HG13 VAL 38 20.362 17.998 6.738 975 1HG2 VAL 38 HG21 VAL 38 23.173 18.210 7.515 976 2HG2 VAL 38 HG22 VAL 38 21.926 17.385 8.444 977 3HG2 VAL 38 HG23 VAL 38 22.966 18.572 9.228 978 H SER 39 HN SER 39 20.355 22.080 8.898 979 HA SER 39 HA SER 39 18.892 22.979 6.672 980 1HB SER 39 HB2 SER 39 19.110 24.067 9.486 981 2HB SER 39 HB1 SER 39 17.941 24.647 8.303 982 HG SER 39 HG SER 39 16.780 23.020 8.939 983 H THR 40 HN THR 40 21.657 24.332 8.379 984 HA THR 40 HA THR 40 21.576 26.894 7.077 985 HB THR 40 HB THR 40 23.915 25.544 8.444 986 HG1 THR 40 HG1 THR 40 23.155 26.502 10.292 987 1HG2 THR 40 HG21 THR 40 24.579 27.915 8.869 988 2HG2 THR 40 HG22 THR 40 23.249 28.434 7.836 989 3HG2 THR 40 HG23 THR 40 24.577 27.486 7.159 990 H LEU 41 HN LEU 41 23.562 23.966 6.675 991 HA LEU 41 HA LEU 41 25.220 24.870 4.625 992 1HB LEU 41 HB2 LEU 41 24.099 22.101 5.088 993 2HB LEU 41 HB1 LEU 41 25.454 22.473 4.031 994 HG LEU 41 HG LEU 41 25.391 23.045 7.008 995 1HD1 LEU 41 HD11 LEU 41 27.072 21.136 7.063 996 2HD1 LEU 41 HD12 LEU 41 26.598 20.773 5.402 997 3HD1 LEU 41 HD13 LEU 41 25.413 20.662 6.698 998 1HD2 LEU 41 HD21 LEU 41 27.466 23.465 4.838 999 2HD2 LEU 41 HD22 LEU 41 27.981 23.161 6.500 1000 3HD2 LEU 41 HD23 LEU 41 26.978 24.554 6.136 1001 H VAL 42 HN VAL 42 21.940 23.602 4.496 1002 HA VAL 42 HA VAL 42 21.840 23.616 1.590 1003 HB VAL 42 HB VAL 42 19.649 23.289 3.636 1004 1HG1 VAL 42 HG11 VAL 42 18.438 22.251 1.645 1005 2HG1 VAL 42 HG12 VAL 42 19.713 22.920 0.624 1006 3HG1 VAL 42 HG13 VAL 42 18.664 23.999 1.547 1007 1HG2 VAL 42 HG21 VAL 42 21.522 21.528 3.566 1008 2HG2 VAL 42 HG22 VAL 42 20.982 21.151 1.927 1009 3HG2 VAL 42 HG23 VAL 42 19.890 20.919 3.293 1010 H GLN 43 HN GLN 43 20.924 25.722 4.233 1011 HA GLN 43 HA GLN 43 20.048 27.762 2.251 1012 1HB GLN 43 HB2 GLN 43 18.159 26.855 3.628 1013 2HB GLN 43 HB1 GLN 43 18.996 27.425 5.072 1014 1HG GLN 43 HG2 GLN 43 18.900 29.723 4.293 1015 2HG GLN 43 HG1 GLN 43 18.234 29.214 2.742 1016 1HE2 GLN 43 HE21 GLN 43 16.184 27.538 3.321 1017 2HE2 GLN 43 HE22 GLN 43 15.047 28.273 4.345 1018 H ASP 44 HN ASP 44 22.239 28.436 2.197 1019 HA ASP 44 HA ASP 44 22.757 30.597 3.974 1020 1HB ASP 44 HB2 ASP 44 23.473 28.823 5.493 1021 2HB ASP 44 HB1 ASP 44 24.553 28.179 4.259 1022 H GLN 45 HN GLN 45 24.849 28.293 2.220 1023 HA GLN 45 HA GLN 45 25.976 30.555 0.660 1024 1HB GLN 45 HB2 GLN 45 27.841 29.048 0.185 1025 2HB GLN 45 HB1 GLN 45 27.576 29.180 1.923 1026 1HG GLN 45 HG2 GLN 45 26.166 27.046 1.735 1027 2HG GLN 45 HG1 GLN 45 26.800 26.886 0.099 1028 1HE2 GLN 45 HE21 GLN 45 27.482 24.811 1.661 1029 2HE2 GLN 45 HE22 GLN 45 29.088 24.921 2.197 1030 H LEU 46 HN LEU 46 24.696 27.259 0.259 1031 HA LEU 46 HA LEU 46 24.003 26.130 -1.653 1032 1HB LEU 46 HB2 LEU 46 22.746 28.874 -1.761 1033 2HB LEU 46 HB1 LEU 46 22.400 27.727 -3.050 1034 HG LEU 46 HG LEU 46 22.087 26.865 -0.162 1035 1HD1 LEU 46 HD11 LEU 46 20.811 28.949 -0.305 1036 2HD1 LEU 46 HD12 LEU 46 19.708 27.574 -0.250 1037 3HD1 LEU 46 HD13 LEU 46 20.027 28.389 -1.782 1038 1HD2 LEU 46 HD21 LEU 46 20.662 26.127 -2.752 1039 2HD2 LEU 46 HD22 LEU 46 20.317 25.415 -1.183 1040 3HD2 LEU 46 HD23 LEU 46 21.882 25.151 -1.939 1041 H THR 47 HN THR 47 26.490 26.440 -2.153 1042 HA THR 47 HA THR 47 26.941 28.019 -4.587 1043 HB THR 47 HB THR 47 28.687 28.165 -2.939 1044 HG1 THR 47 HG1 THR 47 30.140 26.493 -4.399 1045 1HG2 THR 47 HG21 THR 47 28.754 25.144 -3.072 1046 2HG2 THR 47 HG22 THR 47 28.217 26.110 -1.699 1047 3HG2 THR 47 HG23 THR 47 29.906 26.149 -2.198 1048 H LYS 48 HN LYS 48 26.427 24.757 -3.543 1049 HA LYS 48 HA LYS 48 25.887 23.801 -6.141 1050 1HB LYS 48 HB2 LYS 48 28.381 24.000 -6.350 1051 2HB LYS 48 HB1 LYS 48 28.533 22.866 -5.021 1052 1HG LYS 48 HG2 LYS 48 27.383 21.149 -6.287 1053 2HG LYS 48 HG1 LYS 48 27.052 22.285 -7.592 1054 1HD LYS 48 HD2 LYS 48 29.478 22.555 -7.955 1055 2HD LYS 48 HD1 LYS 48 29.793 21.393 -6.664 1056 1HE LYS 48 HE2 LYS 48 28.545 19.671 -7.904 1057 2HE LYS 48 HE1 LYS 48 28.228 20.829 -9.193 1058 1HZ LYS 48 HZ1 LYS 48 30.130 19.452 -9.729 1059 2HZ LYS 48 HZ2 LYS 48 30.911 19.927 -8.295 1060 3HZ LYS 48 HZ3 LYS 48 30.613 21.065 -9.521 1061 H ASN 49 HN ASN 49 24.786 21.895 -6.017 1062 HA ASN 49 HA ASN 49 23.854 20.947 -3.563 1063 1HB ASN 49 HB2 ASN 49 24.018 19.556 -6.247 1064 2HB ASN 49 HB1 ASN 49 23.137 18.902 -4.867 1065 1HD2 ASN 49 HD21 ASN 49 21.903 19.731 -7.399 1066 2HD2 ASN 49 HD22 ASN 49 20.850 21.009 -7.032 1067 H ALA 50 HN ALA 50 26.494 19.737 -5.584 1068 HA ALA 50 HA ALA 50 27.127 17.459 -4.054 1069 1HB ALA 50 HB1 ALA 50 29.273 17.484 -5.176 1070 2HB ALA 50 HB2 ALA 50 29.061 19.177 -5.623 1071 3HB ALA 50 HB3 ALA 50 28.023 17.939 -6.333 1072 H VAL 51 HN VAL 51 28.293 20.804 -3.834 1073 HA VAL 51 HA VAL 51 30.196 20.384 -1.809 1074 HB VAL 51 HB VAL 51 28.592 22.816 -2.604 1075 1HG1 VAL 51 HG11 VAL 51 30.712 22.513 -0.451 1076 2HG1 VAL 51 HG12 VAL 51 29.129 23.279 -0.320 1077 3HG1 VAL 51 HG13 VAL 51 30.411 24.063 -1.233 1078 1HG2 VAL 51 HG21 VAL 51 30.575 23.498 -3.755 1079 2HG2 VAL 51 HG22 VAL 51 30.416 21.780 -4.130 1080 3HG2 VAL 51 HG23 VAL 51 31.570 22.310 -2.911 1081 H VAL 52 HN VAL 52 26.720 20.908 -1.694 1082 HA VAL 52 HA VAL 52 26.656 21.164 1.188 1083 HB VAL 52 HB VAL 52 24.379 20.672 -0.759 1084 1HG1 VAL 52 HG11 VAL 52 23.714 20.071 1.457 1085 2HG1 VAL 52 HG12 VAL 52 23.062 21.662 1.098 1086 3HG1 VAL 52 HG13 VAL 52 24.472 21.511 2.128 1087 1HG2 VAL 52 HG21 VAL 52 24.072 23.076 -0.693 1088 2HG2 VAL 52 HG22 VAL 52 25.741 22.765 -1.149 1089 3HG2 VAL 52 HG23 VAL 52 25.360 23.253 0.498 1090 H LEU 53 HN LEU 53 25.888 18.645 -1.176 1091 HA LEU 53 HA LEU 53 24.887 16.768 0.653 1092 1HB LEU 53 HB2 LEU 53 24.918 16.838 -1.989 1093 2HB LEU 53 HB1 LEU 53 26.381 15.878 -1.803 1094 HG LEU 53 HG LEU 53 23.605 15.213 -0.768 1095 1HD1 LEU 53 HD11 LEU 53 23.927 13.219 -2.258 1096 2HD1 LEU 53 HD12 LEU 53 25.402 13.972 -2.862 1097 3HD1 LEU 53 HD13 LEU 53 23.843 14.759 -3.112 1098 1HD2 LEU 53 HD21 LEU 53 24.772 12.999 -0.104 1099 2HD2 LEU 53 HD22 LEU 53 25.045 14.395 0.932 1100 3HD2 LEU 53 HD23 LEU 53 26.285 13.900 -0.227 1101 H LYS 54 HN LYS 54 28.174 17.045 -0.717 1102 HA LYS 54 HA LYS 54 29.328 14.930 0.707 1103 1HB LYS 54 HB2 LYS 54 31.455 15.882 0.147 1104 2HB LYS 54 HB1 LYS 54 30.382 16.247 -1.200 1105 1HG LYS 54 HG2 LYS 54 29.949 18.491 -0.127 1106 2HG LYS 54 HG1 LYS 54 31.231 18.139 1.021 1107 1HD LYS 54 HD2 LYS 54 31.509 18.345 -1.987 1108 2HD LYS 54 HD1 LYS 54 32.111 19.488 -0.785 1109 1HE LYS 54 HE2 LYS 54 33.104 16.689 -1.356 1110 2HE LYS 54 HE1 LYS 54 34.022 18.190 -1.312 1111 1HZ LYS 54 HZ1 LYS 54 33.379 18.294 1.115 1112 2HZ LYS 54 HZ2 LYS 54 34.510 17.104 0.682 1113 3HZ LYS 54 HZ3 LYS 54 32.893 16.678 0.965 1114 H ARG 55 HN ARG 55 28.832 18.306 1.601 1115 HA ARG 55 HA ARG 55 30.307 18.267 4.001 1116 1HB ARG 55 HB2 ARG 55 29.416 20.300 2.713 1117 2HB ARG 55 HB1 ARG 55 27.868 19.987 3.483 1118 1HG ARG 55 HG2 ARG 55 28.818 21.513 4.997 1119 2HG ARG 55 HG1 ARG 55 29.323 19.995 5.724 1120 1HD ARG 55 HD2 ARG 55 31.505 20.212 4.491 1121 2HD ARG 55 HD1 ARG 55 30.967 21.775 3.893 1122 HE ARG 55 HE ARG 55 30.723 21.909 6.647 1123 1HH1 ARG 55 HH21 ARG 55 33.202 21.283 4.316 1124 2HH1 ARG 55 HH22 ARG 55 34.476 21.939 5.289 1125 1HH2 ARG 55 HH11 ARG 55 32.388 22.773 7.929 1126 2HH2 ARG 55 HH12 ARG 55 34.015 22.783 7.334 1127 H ILE 56 HN ILE 56 26.961 17.444 3.248 1128 HA ILE 56 HA ILE 56 26.090 17.159 5.943 1129 HB ILE 56 HB ILE 56 25.046 16.021 3.322 1130 1HG1 ILE 56 HG12 ILE 56 23.921 18.186 5.134 1131 2HG1 ILE 56 HG11 ILE 56 24.971 18.522 3.775 1132 1HG2 ILE 56 HG21 ILE 56 22.921 15.618 4.716 1133 2HG2 ILE 56 HG22 ILE 56 23.936 15.812 6.145 1134 3HG2 ILE 56 HG23 ILE 56 24.251 14.503 5.008 1135 1HD1 ILE 56 HD11 ILE 56 23.398 17.561 2.235 1136 2HD1 ILE 56 HD12 ILE 56 22.547 18.733 3.229 1137 3HD1 ILE 56 HD13 ILE 56 22.376 17.009 3.551 1138 H GLN 57 HN GLN 57 27.301 14.827 3.536 1139 HA GLN 57 HA GLN 57 27.014 12.497 5.028 1140 1HB GLN 57 HB2 GLN 57 29.120 13.271 2.991 1141 2HB GLN 57 HB1 GLN 57 28.883 11.631 3.598 1142 1HG GLN 57 HG2 GLN 57 26.578 11.631 2.768 1143 2HG GLN 57 HG1 GLN 57 26.763 13.292 2.207 1144 1HE2 GLN 57 HE21 GLN 57 26.902 10.114 1.147 1145 2HE2 GLN 57 HE22 GLN 57 27.897 10.333 -0.210 1146 H HIS 58 HN HIS 58 29.558 14.946 5.058 1147 HA HIS 58 HA HIS 58 31.302 13.505 6.824 1148 1HB HIS 58 HB2 HIS 58 32.434 15.122 5.518 1149 2HB HIS 58 HB1 HIS 58 31.170 16.329 5.737 1150 HD1 HIS 58 HD1 HIS 58 30.912 17.109 8.395 1151 HD2 HIS 58 HD2 HIS 58 34.600 15.557 7.225 1152 HE1 HIS 58 HE1 HIS 58 32.576 17.822 10.159 1153 HE2 HIS 58 HE2 HIS 58 34.837 16.891 9.455 1154 H LEU 59 HN LEU 59 28.743 15.912 7.181 1155 HA LEU 59 HA LEU 59 29.263 16.511 9.885 1156 1HB LEU 59 HB2 LEU 59 27.740 17.731 8.185 1157 2HB LEU 59 HB1 LEU 59 26.498 16.596 8.673 1158 HG LEU 59 HG LEU 59 26.326 18.730 9.900 1159 1HD1 LEU 59 HD11 LEU 59 27.221 16.872 12.042 1160 2HD1 LEU 59 HD12 LEU 59 25.930 16.336 10.983 1161 3HD1 LEU 59 HD13 LEU 59 25.753 17.818 11.912 1162 1HD2 LEU 59 HD21 LEU 59 28.859 18.179 11.438 1163 2HD2 LEU 59 HD22 LEU 59 28.002 19.687 11.203 1164 3HD2 LEU 59 HD23 LEU 59 28.960 19.024 9.886 1165 H ASP 60 HN ASP 60 27.263 14.022 8.390 1166 HA ASP 60 HA ASP 60 25.908 13.055 10.601 1167 1HB ASP 60 HB2 ASP 60 27.146 11.502 8.310 1168 2HB ASP 60 HB1 ASP 60 25.996 10.819 9.457 1169 H GLU 61 HN GLU 61 29.306 12.764 9.802 1170 HA GLU 61 HA GLU 61 30.005 10.638 11.513 1171 1HB GLU 61 HB2 GLU 61 32.204 11.139 10.938 1172 2HB GLU 61 HB1 GLU 61 31.388 12.064 9.684 1173 1HG GLU 61 HG2 GLU 61 31.505 14.078 11.257 1174 2HG GLU 61 HG1 GLU 61 32.546 13.109 12.290 1175 H ALA 62 HN ALA 62 29.442 14.052 12.152 1176 HA ALA 62 HA ALA 62 30.588 14.075 14.774 1177 1HB ALA 62 HB1 ALA 62 30.117 16.096 13.286 1178 2HB ALA 62 HB2 ALA 62 29.645 16.255 14.975 1179 3HB ALA 62 HB3 ALA 62 28.431 15.926 13.758 1180 H TYR 63 HN TYR 63 27.226 13.935 13.586 1181 HA TYR 63 HA TYR 63 25.924 13.785 16.008 1182 1HB TYR 63 HB2 TYR 63 24.199 13.803 14.492 1183 2HB TYR 63 HB1 TYR 63 25.282 13.283 13.208 1184 HD1 TYR 63 HD2 TYR 63 23.295 12.017 16.112 1185 HD2 TYR 63 HD1 TYR 63 25.127 11.055 12.351 1186 HE1 TYR 63 HE2 TYR 63 22.274 9.756 16.187 1187 HE2 TYR 63 HE1 TYR 63 24.106 8.800 12.428 1188 HH TYR 63 HH TYR 63 23.168 7.287 14.783 1189 H ASN 64 HN ASN 64 27.346 11.188 14.049 1190 HA ASN 64 HA ASN 64 26.488 9.023 15.652 1191 1HB ASN 64 HB2 ASN 64 28.785 9.335 13.701 1192 2HB ASN 64 HB1 ASN 64 28.407 7.805 14.490 1193 1HD2 ASN 64 HD21 ASN 64 26.231 6.856 14.031 1194 2HD2 ASN 64 HD22 ASN 64 25.433 7.257 12.587 1195 H LYS 65 HN LYS 65 29.223 11.202 15.820 1196 HA LYS 65 HA LYS 65 30.824 9.727 17.584 1197 1HB LYS 65 HB2 LYS 65 31.366 11.929 16.312 1198 2HB LYS 65 HB1 LYS 65 30.616 12.747 17.678 1199 1HG LYS 65 HG2 LYS 65 32.817 12.657 18.489 1200 2HG LYS 65 HG1 LYS 65 32.251 11.118 19.094 1201 1HD LYS 65 HD2 LYS 65 33.182 9.981 17.117 1202 2HD LYS 65 HD1 LYS 65 33.725 11.532 16.473 1203 1HE LYS 65 HE2 LYS 65 35.575 10.406 17.623 1204 2HE LYS 65 HE1 LYS 65 35.113 11.871 18.493 1205 1HZ LYS 65 HZ1 LYS 65 34.280 10.705 20.211 1206 2HZ LYS 65 HZ2 LYS 65 35.363 9.513 19.668 1207 3HZ LYS 65 HZ3 LYS 65 33.721 9.431 19.240 1208 H VAL 66 HN VAL 66 28.080 11.874 18.152 1209 HA VAL 66 HA VAL 66 28.358 12.072 20.955 1210 HB VAL 66 HB VAL 66 25.850 12.287 19.239 1211 1HG1 VAL 66 HG11 VAL 66 25.169 11.913 21.514 1212 2HG1 VAL 66 HG12 VAL 66 25.035 13.647 21.218 1213 3HG1 VAL 66 HG13 VAL 66 26.409 13.006 22.123 1214 1HG2 VAL 66 HG21 VAL 66 27.526 13.925 18.597 1215 2HG2 VAL 66 HG22 VAL 66 27.835 14.332 20.286 1216 3HG2 VAL 66 HG23 VAL 66 26.284 14.743 19.549 1217 H LYS 67 HN LYS 67 26.516 9.861 18.911 1218 HA LYS 67 HA LYS 67 25.382 8.356 21.031 1219 1HB LYS 67 HB2 LYS 67 25.773 7.714 18.134 1220 2HB LYS 67 HB1 LYS 67 24.695 6.879 19.242 1221 1HG LYS 67 HG2 LYS 67 24.305 9.835 19.311 1222 2HG LYS 67 HG1 LYS 67 24.033 9.175 17.738 1223 1HD LYS 67 HD2 LYS 67 22.741 8.250 20.320 1224 2HD LYS 67 HD1 LYS 67 21.982 9.305 19.125 1225 1HE LYS 67 HE2 LYS 67 22.376 6.333 19.023 1226 2HE LYS 67 HE1 LYS 67 21.090 7.306 18.328 1227 1HZ LYS 67 HZ1 LYS 67 22.514 6.255 16.658 1228 2HZ LYS 67 HZ2 LYS 67 23.849 7.129 17.242 1229 3HZ LYS 67 HZ3 LYS 67 22.535 7.946 16.540 1230 H ARG 68 HN ARG 68 28.033 7.795 18.770 1231 HA ARG 68 HA ARG 68 28.798 5.246 19.656 1232 1HB ARG 68 HB2 ARG 68 30.286 7.480 18.266 1233 2HB ARG 68 HB1 ARG 68 31.049 5.938 18.625 1234 1HG ARG 68 HG2 ARG 68 29.357 4.755 17.313 1235 2HG ARG 68 HG1 ARG 68 28.493 6.263 17.023 1236 1HD ARG 68 HD2 ARG 68 29.864 5.733 15.077 1237 2HD ARG 68 HD1 ARG 68 30.507 7.164 15.875 1238 HE ARG 68 HE ARG 68 31.781 4.815 16.866 1239 1HH1 ARG 68 HH21 ARG 68 31.579 6.929 14.134 1240 2HH1 ARG 68 HH22 ARG 68 33.199 6.624 13.603 1241 1HH2 ARG 68 HH11 ARG 68 33.907 4.410 16.177 1242 2HH2 ARG 68 HH12 ARG 68 34.517 5.197 14.761 1243 H GLY 69 HN GLY 69 29.352 8.418 20.943 1244 1HA GLY 69 HA2 GLY 69 31.520 7.600 22.701 1245 2HA GLY 69 HA1 GLY 69 30.748 9.181 22.621 1246 H GLU 70 HN GLU 70 28.324 9.074 23.275 1247 HA GLU 70 HA GLU 70 28.151 8.541 25.974 1248 1HB GLU 70 HB2 GLU 70 25.854 9.116 25.786 1249 2HB GLU 70 HB1 GLU 70 26.654 9.981 24.485 1250 1HG GLU 70 HG2 GLU 70 24.954 9.043 23.238 1251 2HG GLU 70 HG1 GLU 70 26.112 7.748 23.133 1252 H SER 71 HN SER 71 26.030 7.069 26.658 1253 HA SER 71 HA SER 71 25.159 4.956 26.913 1254 1HB SER 71 HB2 SER 71 25.536 4.909 24.277 1255 2HB SER 71 HB1 SER 71 26.813 3.778 24.691 1256 HG SER 71 HG SER 71 25.259 2.389 24.857 1257 H LYS 72 HN LYS 72 26.061 2.592 27.239 1258 HA LYS 72 HA LYS 72 27.381 1.288 28.593 1259 1HB LYS 72 HB2 LYS 72 29.520 2.868 27.165 1260 2HB LYS 72 HB1 LYS 72 29.822 1.412 28.114 1261 1HG LYS 72 HG2 LYS 72 28.216 0.181 26.635 1262 2HG LYS 72 HG1 LYS 72 28.099 1.622 25.629 1263 1HD LYS 72 HD2 LYS 72 30.685 0.159 26.243 1264 2HD LYS 72 HD1 LYS 72 29.749 -0.054 24.768 1265 1HE LYS 72 HE2 LYS 72 29.988 2.516 24.464 1266 2HE LYS 72 HE1 LYS 72 31.262 2.402 25.681 1267 1HZ LYS 72 HZ1 LYS 72 31.797 0.358 23.975 1268 2HZ LYS 72 HZ2 LYS 72 32.588 1.861 24.018 1269 3HZ LYS 72 HZ3 LYS 72 31.299 1.607 22.941 1270 H LEU 73 HN LEU 73 26.398 2.713 30.331 1271 HA LEU 73 HA LEU 73 26.584 4.188 32.135 1272 1HB LEU 73 HB2 LEU 73 28.281 3.404 33.757 1273 2HB LEU 73 HB1 LEU 73 27.335 2.087 33.081 1274 HG LEU 73 HG LEU 73 29.951 2.815 31.750 1275 1HD1 LEU 73 HD11 LEU 73 29.766 1.178 34.261 1276 2HD1 LEU 73 HD12 LEU 73 30.610 2.713 34.051 1277 3HD1 LEU 73 HD13 LEU 73 31.181 1.272 33.210 1278 1HD2 LEU 73 HD21 LEU 73 28.066 0.860 31.186 1279 2HD2 LEU 73 HD22 LEU 73 29.211 -0.037 32.169 1280 3HD2 LEU 73 HD23 LEU 73 29.756 0.786 30.709 1281 H GLU 74 HN GLU 74 27.841 5.239 29.722 1282 HA GLU 74 HA GLU 74 30.278 6.296 29.636 1283 1HB GLU 74 HB2 GLU 74 29.119 8.594 29.022 1284 2HB GLU 74 HB1 GLU 74 28.839 7.181 28.007 1285 1HG GLU 74 HG2 GLU 74 26.706 6.753 28.994 1286 2HG GLU 74 HG1 GLU 74 27.000 7.875 30.312 1287 H HIS 75 HN HIS 75 31.248 6.260 31.666 1288 HA HIS 75 HA HIS 75 30.542 8.444 33.551 1289 1HB HIS 75 HB2 HIS 75 30.511 6.004 34.360 1290 2HB HIS 75 HB1 HIS 75 32.257 6.006 34.143 1291 HD1 HIS 75 HD1 HIS 75 29.743 8.399 35.721 1292 HD2 HIS 75 HD2 HIS 75 33.448 6.687 36.569 1293 HE1 HIS 75 HE1 HIS 75 30.464 9.326 37.964 1294 HE2 HIS 75 HE2 HIS 75 32.721 8.293 38.495 1295 H HIS 76 HN HIS 76 33.359 7.549 34.644 1296 HA HIS 76 HA HIS 76 34.819 9.689 33.257 1297 1HB HIS 76 HB2 HIS 76 35.432 8.070 35.745 1298 2HB HIS 76 HB1 HIS 76 36.446 9.366 35.110 1299 HD1 HIS 76 HD1 HIS 76 34.153 8.984 37.686 1300 HD2 HIS 76 HD2 HIS 76 34.387 11.741 34.568 1301 HE1 HIS 76 HE1 HIS 76 32.793 10.996 38.405 1302 HE2 HIS 76 HE2 HIS 76 32.927 12.686 36.515 1303 H HIS 77 HN HIS 77 35.901 9.120 31.499 1304 HA HIS 77 HA HIS 77 36.665 6.506 30.790 1305 1HB HIS 77 HB2 HIS 77 37.756 9.184 29.884 1306 2HB HIS 77 HB1 HIS 77 38.138 7.645 29.112 1307 HD1 HIS 77 HD1 HIS 77 35.419 10.173 29.490 1308 HD2 HIS 77 HD2 HIS 77 35.928 6.437 27.714 1309 HE1 HIS 77 HE1 HIS 77 33.424 9.826 27.968 1310 HE2 HIS 77 HE2 HIS 77 33.721 7.553 26.877 1311 H HIS 78 HN HIS 78 38.459 9.112 32.379 1312 HA HIS 78 HA HIS 78 40.275 7.169 33.582 1313 1HB HIS 78 HB2 HIS 78 41.299 9.319 31.707 1314 2HB HIS 78 HB1 HIS 78 42.302 8.296 32.736 1315 HD1 HIS 78 HD1 HIS 78 40.078 8.168 29.701 1316 HD2 HIS 78 HD2 HIS 78 42.616 5.629 31.821 1317 HE1 HIS 78 HE1 HIS 78 40.375 6.097 28.273 1318 HE2 HIS 78 HE2 HIS 78 41.920 4.539 29.553 1319 H HIS 79 HN HIS 79 40.587 7.778 35.612 1320 HA HIS 79 HA HIS 79 39.756 10.388 36.534 1321 1HB HIS 79 HB2 HIS 79 39.419 8.327 37.877 1322 2HB HIS 79 HB1 HIS 79 41.169 8.168 38.036 1323 HD1 HIS 79 HD1 HIS 79 38.375 10.602 38.899 1324 HD2 HIS 79 HD2 HIS 79 42.276 9.714 40.072 1325 HE1 HIS 79 HE1 HIS 79 38.855 12.036 40.931 1326 HE2 HIS 79 HE2 HIS 79 41.231 11.506 41.659 1327 H HIS 80 HN HIS 80 41.005 12.123 36.294 1328 HA HIS 80 HA HIS 80 43.841 11.967 35.846 1329 1HB HIS 80 HB2 HIS 80 42.408 13.735 34.851 1330 2HB HIS 80 HB1 HIS 80 42.126 14.388 36.466 1331 HD1 HIS 80 HD1 HIS 80 45.068 13.584 34.172 1332 HD2 HIS 80 HD2 HIS 80 44.071 16.190 37.270 1333 HE1 HIS 80 HE1 HIS 80 47.029 15.166 34.438 1334 HE2 HIS 80 HE2 HIS 80 46.436 16.761 36.323 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -1.298 7.282 -9.158 2 2H MET 1 HT2 MET 1 -1.603 6.137 -7.941 3 3H MET 1 HT3 MET 1 -0.262 7.174 -7.819 4 HA MET 1 HA MET 1 -1.770 9.089 -7.675 5 1HB MET 1 HB2 MET 1 -3.655 7.994 -8.875 6 2HB MET 1 HB1 MET 1 -3.885 6.918 -7.496 7 1HG MET 1 HG2 MET 1 -4.415 8.793 -6.047 8 2HG MET 1 HG1 MET 1 -4.019 9.943 -7.325 9 1HE MET 1 HE1 MET 1 -6.469 11.196 -7.360 10 2HE MET 1 HE2 MET 1 -6.364 10.309 -5.842 11 3HE MET 1 HE3 MET 1 -7.842 10.232 -6.798 12 H SER 2 HN SER 2 -3.037 6.231 -5.979 13 HA SER 2 HA SER 2 -2.377 7.432 -3.394 14 1HB SER 2 HB2 SER 2 -3.777 4.838 -4.085 15 2HB SER 2 HB1 SER 2 -3.611 5.516 -2.469 16 HG SER 2 HG SER 2 -5.392 6.104 -4.395 17 H GLU 3 HN GLU 3 -0.636 5.776 -5.590 18 HA GLU 3 HA GLU 3 0.581 3.731 -3.985 19 1HB GLU 3 HB2 GLU 3 1.455 5.086 -6.554 20 2HB GLU 3 HB1 GLU 3 2.296 3.717 -5.825 21 1HG GLU 3 HG2 GLU 3 0.279 2.342 -6.006 22 2HG GLU 3 HG1 GLU 3 -0.622 3.712 -6.652 23 H LEU 4 HN LEU 4 0.654 5.649 -2.247 24 HA LEU 4 HA LEU 4 1.956 6.991 -0.922 25 1HB LEU 4 HB2 LEU 4 3.963 5.103 -2.171 26 2HB LEU 4 HB1 LEU 4 4.493 6.320 -1.015 27 HG LEU 4 HG LEU 4 4.024 4.101 0.037 28 1HD1 LEU 4 HD11 LEU 4 3.226 5.045 1.966 29 2HD1 LEU 4 HD12 LEU 4 1.873 5.849 1.174 30 3HD1 LEU 4 HD13 LEU 4 3.488 6.552 1.097 31 1HD2 LEU 4 HD21 LEU 4 1.842 3.163 0.099 32 2HD2 LEU 4 HD22 LEU 4 2.073 3.623 -1.589 33 3HD2 LEU 4 HD23 LEU 4 1.095 4.632 -0.522 34 H PHE 5 HN PHE 5 1.655 7.520 -4.011 35 HA PHE 5 HA PHE 5 3.881 9.143 -4.716 36 1HB PHE 5 HB2 PHE 5 2.291 8.181 -6.365 37 2HB PHE 5 HB1 PHE 5 1.037 9.259 -5.750 38 HD1 PHE 5 HD1 PHE 5 4.337 9.131 -7.444 39 HD2 PHE 5 HD2 PHE 5 0.999 11.600 -6.347 40 HE1 PHE 5 HE1 PHE 5 5.192 10.937 -8.913 41 HE2 PHE 5 HE2 PHE 5 1.852 13.407 -7.817 42 HZ PHE 5 HZ PHE 5 3.949 13.076 -9.100 43 H SER 6 HN SER 6 0.938 9.693 -2.923 44 HA SER 6 HA SER 6 1.009 12.555 -3.046 45 1HB SER 6 HB2 SER 6 -0.882 10.711 -2.332 46 2HB SER 6 HB1 SER 6 -0.367 11.254 -0.738 47 HG SER 6 HG SER 6 -1.604 12.900 -1.147 48 H VAL 7 HN VAL 7 2.065 13.977 -1.763 49 HA VAL 7 HA VAL 7 4.138 13.026 -0.017 50 HB VAL 7 HB VAL 7 3.203 15.910 -0.100 51 1HG1 VAL 7 HG11 VAL 7 5.051 15.165 1.441 52 2HG1 VAL 7 HG12 VAL 7 5.517 16.405 0.279 53 3HG1 VAL 7 HG13 VAL 7 5.985 14.727 0.008 54 1HG2 VAL 7 HG21 VAL 7 4.810 14.431 -2.204 55 2HG2 VAL 7 HG22 VAL 7 4.693 16.186 -2.094 56 3HG2 VAL 7 HG23 VAL 7 3.252 15.229 -2.435 57 HA PRO 8 HA PRO 8 1.035 14.974 3.260 58 1HB PRO 8 HB2 PRO 8 -1.482 13.813 2.079 59 2HB PRO 8 HB1 PRO 8 -1.249 15.370 2.904 60 1HG PRO 8 HG2 PRO 8 -1.539 15.279 0.263 61 2HG PRO 8 HG1 PRO 8 -0.367 16.390 1.000 62 1HD PRO 8 HD2 PRO 8 0.132 13.740 -0.336 63 2HD PRO 8 HD1 PRO 8 1.052 15.250 -0.470 64 H TYR 9 HN TYR 9 0.939 11.921 1.598 65 HA TYR 9 HA TYR 9 -0.223 10.294 3.576 66 1HB TYR 9 HB2 TYR 9 0.272 9.591 1.206 67 2HB TYR 9 HB1 TYR 9 1.979 9.518 1.643 68 HD1 TYR 9 HD1 TYR 9 2.764 7.933 3.428 69 HD2 TYR 9 HD2 TYR 9 -1.246 7.844 1.892 70 HE1 TYR 9 HE1 TYR 9 2.457 5.660 4.363 71 HE2 TYR 9 HE2 TYR 9 -1.554 5.569 2.827 72 HH TYR 9 HH TYR 9 0.276 4.267 5.133 73 H PHE 10 HN PHE 10 3.186 11.125 2.961 74 HA PHE 10 HA PHE 10 4.321 9.625 5.044 75 1HB PHE 10 HB2 PHE 10 5.149 11.981 3.383 76 2HB PHE 10 HB1 PHE 10 6.060 11.740 4.873 77 HD1 PHE 10 HD1 PHE 10 4.520 9.297 2.457 78 HD2 PHE 10 HD2 PHE 10 8.126 10.751 4.285 79 HE1 PHE 10 HE1 PHE 10 5.810 7.488 1.356 80 HE2 PHE 10 HE2 PHE 10 9.411 8.938 3.188 81 HZ PHE 10 HZ PHE 10 8.266 7.317 1.725 82 H ILE 11 HN ILE 11 2.868 12.845 5.034 83 HA ILE 11 HA ILE 11 3.664 13.559 7.667 84 HB ILE 11 HB ILE 11 1.233 14.525 6.143 85 1HG1 ILE 11 HG12 ILE 11 4.122 15.473 6.057 86 2HG1 ILE 11 HG11 ILE 11 3.251 14.702 4.743 87 1HG2 ILE 11 HG21 ILE 11 1.430 16.492 7.513 88 2HG2 ILE 11 HG22 ILE 11 2.973 15.970 8.176 89 3HG2 ILE 11 HG23 ILE 11 1.486 15.131 8.619 90 1HD1 ILE 11 HD11 ILE 11 1.564 16.621 4.902 91 2HD1 ILE 11 HD12 ILE 11 3.161 17.034 4.281 92 3HD1 ILE 11 HD13 ILE 11 2.737 17.426 5.946 93 H GLU 12 HN GLU 12 0.726 12.078 6.335 94 HA GLU 12 HA GLU 12 -0.869 12.009 8.611 95 1HB GLU 12 HB2 GLU 12 -0.608 10.060 6.306 96 2HB GLU 12 HB1 GLU 12 -1.832 9.857 7.558 97 1HG GLU 12 HG2 GLU 12 -1.515 12.406 5.940 98 2HG GLU 12 HG1 GLU 12 -2.615 11.108 5.491 99 H ASN 13 HN ASN 13 1.971 10.138 7.864 100 HA ASN 13 HA ASN 13 1.545 8.073 9.802 101 1HB ASN 13 HB2 ASN 13 3.076 7.825 7.860 102 2HB ASN 13 HB1 ASN 13 4.141 9.036 8.573 103 1HD2 ASN 13 HD21 ASN 13 5.404 6.674 8.252 104 2HD2 ASN 13 HD22 ASN 13 5.505 5.799 9.702 105 H LEU 14 HN LEU 14 2.933 11.281 9.842 106 HA LEU 14 HA LEU 14 4.328 11.074 12.314 107 1HB LEU 14 HB2 LEU 14 3.183 13.564 11.027 108 2HB LEU 14 HB1 LEU 14 4.506 13.471 12.187 109 HG LEU 14 HG LEU 14 4.545 12.220 9.424 110 1HD1 LEU 14 HD11 LEU 14 5.962 14.006 8.735 111 2HD1 LEU 14 HD12 LEU 14 6.116 14.626 10.376 112 3HD1 LEU 14 HD13 LEU 14 4.580 14.774 9.516 113 1HD2 LEU 14 HD21 LEU 14 6.502 12.284 11.730 114 2HD2 LEU 14 HD22 LEU 14 7.091 12.197 10.075 115 3HD2 LEU 14 HD23 LEU 14 6.035 10.939 10.689 116 H LYS 15 HN LYS 15 1.065 12.068 11.405 117 HA LYS 15 HA LYS 15 0.264 13.115 13.867 118 1HB LYS 15 HB2 LYS 15 -1.010 13.349 11.743 119 2HB LYS 15 HB1 LYS 15 -1.472 11.651 11.875 120 1HG LYS 15 HG2 LYS 15 -2.589 12.081 14.009 121 2HG LYS 15 HG1 LYS 15 -2.050 13.760 13.979 122 1HD LYS 15 HD2 LYS 15 -3.340 14.133 11.906 123 2HD LYS 15 HD1 LYS 15 -3.888 12.456 11.950 124 1HE LYS 15 HE2 LYS 15 -5.606 13.905 12.916 125 2HE LYS 15 HE1 LYS 15 -4.919 12.880 14.176 126 1HZ LYS 15 HZ1 LYS 15 -5.121 15.580 14.277 127 2HZ LYS 15 HZ2 LYS 15 -3.500 15.351 13.820 128 3HZ LYS 15 HZ3 LYS 15 -4.095 14.636 15.243 129 H GLN 16 HN GLN 16 0.450 9.822 12.664 130 HA GLN 16 HA GLN 16 -1.057 8.575 14.730 131 1HB GLN 16 HB2 GLN 16 -0.442 7.548 12.496 132 2HB GLN 16 HB1 GLN 16 1.189 7.323 13.130 133 1HG GLN 16 HG2 GLN 16 0.259 5.995 15.012 134 2HG GLN 16 HG1 GLN 16 -1.355 6.201 14.334 135 1HE2 GLN 16 HE21 GLN 16 -1.026 3.650 14.392 136 2HE2 GLN 16 HE22 GLN 16 -0.402 2.973 12.967 137 H HIS 17 HN HIS 17 2.250 9.657 14.487 138 HA HIS 17 HA HIS 17 3.231 8.139 16.712 139 1HB HIS 17 HB2 HIS 17 4.283 10.672 15.432 140 2HB HIS 17 HB1 HIS 17 5.154 9.706 16.621 141 HD1 HIS 17 HD1 HIS 17 6.676 9.790 14.149 142 HD2 HIS 17 HD2 HIS 17 3.503 7.114 14.543 143 HE1 HIS 17 HE1 HIS 17 7.063 7.961 12.438 144 HE2 HIS 17 HE2 HIS 17 5.137 6.323 12.667 145 H ILE 18 HN ILE 18 2.344 11.587 16.362 146 HA ILE 18 HA ILE 18 2.584 12.150 19.162 147 HB ILE 18 HB ILE 18 1.594 14.305 18.614 148 1HG1 ILE 18 HG12 ILE 18 0.861 12.938 16.019 149 2HG1 ILE 18 HG11 ILE 18 -0.246 13.646 17.183 150 1HG2 ILE 18 HG21 ILE 18 3.962 13.650 17.852 151 2HG2 ILE 18 HG22 ILE 18 3.258 15.050 17.063 152 3HG2 ILE 18 HG23 ILE 18 3.301 13.493 16.232 153 1HD1 ILE 18 HD11 ILE 18 0.962 15.884 16.713 154 2HD1 ILE 18 HD12 ILE 18 -0.110 15.264 15.458 155 3HD1 ILE 18 HD13 ILE 18 1.635 15.075 15.296 156 H GLU 19 HN GLU 19 -0.117 11.309 17.037 157 HA GLU 19 HA GLU 19 -2.227 11.769 18.859 158 1HB GLU 19 HB2 GLU 19 -2.609 11.379 16.470 159 2HB GLU 19 HB1 GLU 19 -2.036 9.719 16.630 160 1HG GLU 19 HG2 GLU 19 -3.904 9.187 18.116 161 2HG GLU 19 HG1 GLU 19 -4.424 10.869 18.103 162 H MET 20 HN MET 20 -0.605 8.676 18.072 163 HA MET 20 HA MET 20 -1.552 7.576 20.670 164 1HB MET 20 HB2 MET 20 -0.636 6.173 18.147 165 2HB MET 20 HB1 MET 20 -1.078 5.360 19.648 166 1HG MET 20 HG2 MET 20 -3.340 6.556 19.478 167 2HG MET 20 HG1 MET 20 -2.860 7.014 17.843 168 1HE MET 20 HE1 MET 20 -2.913 3.910 15.773 169 2HE MET 20 HE2 MET 20 -1.588 4.925 16.338 170 3HE MET 20 HE3 MET 20 -3.113 5.666 15.858 171 H ASN 21 HN ASN 21 1.247 7.169 18.492 172 HA ASN 21 HA ASN 21 3.508 7.331 18.939 173 1HB ASN 21 HB2 ASN 21 2.692 8.945 20.921 174 2HB ASN 21 HB1 ASN 21 3.093 7.575 21.934 175 1HD2 ASN 21 HD21 ASN 21 5.193 7.573 22.673 176 2HD2 ASN 21 HD22 ASN 21 6.503 8.327 21.900 177 H GLN 22 HN GLN 22 2.401 4.964 18.509 178 HA GLN 22 HA GLN 22 2.420 3.001 20.415 179 1HB GLN 22 HB2 GLN 22 1.930 2.873 17.857 180 2HB GLN 22 HB1 GLN 22 3.640 2.491 17.686 181 1HG GLN 22 HG2 GLN 22 1.678 0.958 19.431 182 2HG GLN 22 HG1 GLN 22 2.236 0.444 17.841 183 1HE2 GLN 22 HE21 GLN 22 2.796 -0.127 21.051 184 2HE2 GLN 22 HE22 GLN 22 4.432 -0.570 20.979 185 H SER 23 HN SER 23 5.198 4.339 18.668 186 HA SER 23 HA SER 23 6.989 3.625 20.824 187 1HB SER 23 HB2 SER 23 7.270 2.287 18.125 188 2HB SER 23 HB1 SER 23 8.507 2.290 19.379 189 HG SER 23 HG SER 23 7.440 0.526 19.913 190 H GLU 24 HN GLU 24 6.703 6.084 20.396 191 HA GLU 24 HA GLU 24 9.133 6.971 19.089 192 1HB GLU 24 HB2 GLU 24 7.197 6.808 17.311 193 2HB GLU 24 HB1 GLU 24 6.588 8.271 18.074 194 1HG GLU 24 HG2 GLU 24 7.999 9.027 16.287 195 2HG GLU 24 HG1 GLU 24 8.951 9.257 17.754 196 H ASP 25 HN ASP 25 7.539 9.663 18.877 197 HA ASP 25 HA ASP 25 7.274 10.346 21.717 198 1HB ASP 25 HB2 ASP 25 9.261 11.676 19.858 199 2HB ASP 25 HB1 ASP 25 8.832 12.255 21.467 200 H LYS 26 HN LYS 26 7.197 13.058 21.482 201 HA LYS 26 HA LYS 26 4.659 13.407 20.082 202 1HB LYS 26 HB2 LYS 26 5.067 14.227 22.415 203 2HB LYS 26 HB1 LYS 26 6.173 15.429 21.754 204 1HG LYS 26 HG2 LYS 26 4.340 16.344 20.364 205 2HG LYS 26 HG1 LYS 26 3.243 15.117 20.999 206 1HD LYS 26 HD2 LYS 26 3.622 16.002 23.293 207 2HD LYS 26 HD1 LYS 26 4.662 17.258 22.618 208 1HE LYS 26 HE2 LYS 26 2.794 18.109 21.283 209 2HE LYS 26 HE1 LYS 26 1.746 16.844 21.910 210 1HZ LYS 26 HZ1 LYS 26 1.300 18.693 23.228 211 2HZ LYS 26 HZ2 LYS 26 2.938 19.130 23.355 212 3HZ LYS 26 HZ3 LYS 26 2.353 17.765 24.180 213 H ILE 27 HN ILE 27 6.426 16.302 20.257 214 HA ILE 27 HA ILE 27 6.267 16.772 17.492 215 HB ILE 27 HB ILE 27 6.420 18.483 19.335 216 1HG1 ILE 27 HG12 ILE 27 8.419 18.825 17.070 217 2HG1 ILE 27 HG11 ILE 27 6.678 18.980 16.872 218 1HG2 ILE 27 HG21 ILE 27 9.419 18.081 19.098 219 2HG2 ILE 27 HG22 ILE 27 8.468 17.352 20.392 220 3HG2 ILE 27 HG23 ILE 27 8.548 19.107 20.240 221 1HD1 ILE 27 HD11 ILE 27 7.035 20.699 18.948 222 2HD1 ILE 27 HD12 ILE 27 7.123 21.169 17.256 223 3HD1 ILE 27 HD13 ILE 27 8.603 20.837 18.146 224 H HIS 28 HN HIS 28 8.805 15.434 19.513 225 HA HIS 28 HA HIS 28 10.898 15.585 17.584 226 1HB HIS 28 HB2 HIS 28 11.240 15.255 20.030 227 2HB HIS 28 HB1 HIS 28 10.596 13.625 19.869 228 HD1 HIS 28 HD1 HIS 28 12.244 11.843 19.245 229 HD2 HIS 28 HD2 HIS 28 13.645 15.655 18.300 230 HE1 HIS 28 HE1 HIS 28 14.616 11.547 18.409 231 HE2 HIS 28 HE2 HIS 28 15.485 13.862 17.829 232 H ALA 29 HN ALA 29 8.063 13.995 17.340 233 HA ALA 29 HA ALA 29 8.814 11.395 16.474 234 1HB ALA 29 HB1 ALA 29 6.518 11.864 17.103 235 2HB ALA 29 HB2 ALA 29 6.557 11.375 15.409 236 3HB ALA 29 HB3 ALA 29 6.382 13.079 15.830 237 H MET 30 HN MET 30 8.191 14.430 14.725 238 HA MET 30 HA MET 30 8.596 13.392 12.129 239 1HB MET 30 HB2 MET 30 9.252 15.946 11.720 240 2HB MET 30 HB1 MET 30 7.582 15.508 12.081 241 1HG MET 30 HG2 MET 30 7.696 16.314 14.277 242 2HG MET 30 HG1 MET 30 9.441 16.083 14.384 243 1HE MET 30 HE1 MET 30 11.148 17.376 12.969 244 2HE MET 30 HE2 MET 30 10.930 18.109 14.554 245 3HE MET 30 HE3 MET 30 11.072 19.134 13.133 246 H ASN 31 HN ASN 31 10.829 14.923 14.457 247 HA ASN 31 HA ASN 31 13.091 15.093 12.844 248 1HB ASN 31 HB2 ASN 31 12.960 16.008 15.130 249 2HB ASN 31 HB1 ASN 31 12.970 14.371 15.779 250 1HD2 ASN 31 HD21 ASN 31 15.030 14.913 16.907 251 2HD2 ASN 31 HD22 ASN 31 16.484 14.938 16.032 252 H SER 32 HN SER 32 12.037 12.345 14.867 253 HA SER 32 HA SER 32 14.179 10.631 14.116 254 1HB SER 32 HB2 SER 32 12.983 10.037 16.083 255 2HB SER 32 HB1 SER 32 11.431 10.148 15.257 256 HG SER 32 HG SER 32 12.757 7.997 15.611 257 H TYR 33 HN TYR 33 10.777 10.718 13.031 258 HA TYR 33 HA TYR 33 11.009 8.744 11.037 259 1HB TYR 33 HB2 TYR 33 8.837 9.468 11.854 260 2HB TYR 33 HB1 TYR 33 9.119 11.111 11.273 261 HD1 TYR 33 HD2 TYR 33 8.382 7.624 10.272 262 HD2 TYR 33 HD1 TYR 33 9.050 11.638 8.896 263 HE1 TYR 33 HE2 TYR 33 7.516 6.999 8.032 264 HE2 TYR 33 HE1 TYR 33 8.181 11.013 6.655 265 HH TYR 33 HH TYR 33 7.430 7.673 5.840 266 H TYR 34 HN TYR 34 11.266 12.288 10.849 267 HA TYR 34 HA TYR 34 11.645 12.521 8.087 268 1HB TYR 34 HB2 TYR 34 11.202 14.444 9.597 269 2HB TYR 34 HB1 TYR 34 12.819 14.265 10.278 270 HD1 TYR 34 HD2 TYR 34 14.839 14.535 8.768 271 HD2 TYR 34 HD1 TYR 34 10.862 15.575 7.514 272 HE1 TYR 34 HE2 TYR 34 15.776 15.874 6.907 273 HE2 TYR 34 HE1 TYR 34 11.802 16.918 5.653 274 HH TYR 34 HH TYR 34 14.132 18.150 5.273 275 H ARG 35 HN ARG 35 13.962 12.005 10.731 276 HA ARG 35 HA ARG 35 16.281 12.128 9.116 277 1HB ARG 35 HB2 ARG 35 16.316 12.400 11.574 278 2HB ARG 35 HB1 ARG 35 15.912 10.691 11.744 279 1HG ARG 35 HG2 ARG 35 17.966 10.045 10.589 280 2HG ARG 35 HG1 ARG 35 18.349 11.736 10.270 281 1HD ARG 35 HD2 ARG 35 18.418 12.131 12.734 282 2HD ARG 35 HD1 ARG 35 18.172 10.405 12.986 283 HE ARG 35 HE ARG 35 20.625 11.695 12.195 284 1HH1 ARG 35 HH21 ARG 35 18.723 8.812 11.982 285 2HH1 ARG 35 HH22 ARG 35 20.083 7.770 11.732 286 1HH2 ARG 35 HH11 ARG 35 22.413 10.335 11.878 287 2HH2 ARG 35 HH12 ARG 35 22.172 8.632 11.673 288 H SER 36 HN SER 36 14.000 9.600 9.912 289 HA SER 36 HA SER 36 15.604 7.400 9.030 290 1HB SER 36 HB2 SER 36 13.701 7.094 10.566 291 2HB SER 36 HB1 SER 36 12.598 7.607 9.293 292 HG SER 36 HG SER 36 12.989 5.789 8.197 293 H VAL 37 HN VAL 37 13.093 9.394 7.514 294 HA VAL 37 HA VAL 37 13.016 7.915 5.069 295 HB VAL 37 HB VAL 37 12.246 10.777 5.725 296 1HG1 VAL 37 HG11 VAL 37 12.672 10.763 3.345 297 2HG1 VAL 37 HG12 VAL 37 10.931 10.671 3.560 298 3HG1 VAL 37 HG13 VAL 37 11.841 9.216 3.154 299 1HG2 VAL 37 HG21 VAL 37 10.860 9.135 6.843 300 2HG2 VAL 37 HG22 VAL 37 10.664 8.216 5.348 301 3HG2 VAL 37 HG23 VAL 37 9.939 9.814 5.503 302 H VAL 38 HN VAL 38 14.424 11.142 5.707 303 HA VAL 38 HA VAL 38 15.743 11.508 3.317 304 HB VAL 38 HB VAL 38 15.661 13.207 5.106 305 1HG1 VAL 38 HG11 VAL 38 16.993 13.055 7.074 306 2HG1 VAL 38 HG12 VAL 38 17.916 11.686 6.452 307 3HG1 VAL 38 HG13 VAL 38 16.233 11.473 6.912 308 1HG2 VAL 38 HG21 VAL 38 17.431 13.229 3.263 309 2HG2 VAL 38 HG22 VAL 38 18.557 12.584 4.443 310 3HG2 VAL 38 HG23 VAL 38 17.820 14.168 4.698 311 H SER 39 HN SER 39 16.879 9.668 6.131 312 HA SER 39 HA SER 39 19.481 9.096 5.323 313 1HB SER 39 HB2 SER 39 17.489 7.428 6.869 314 2HB SER 39 HB1 SER 39 19.178 6.965 6.674 315 HG SER 39 HG SER 39 19.467 8.220 8.335 316 H THR 40 HN THR 40 16.491 7.304 4.588 317 HA THR 40 HA THR 40 17.877 5.491 2.777 318 HB THR 40 HB THR 40 14.927 5.840 3.385 319 HG1 THR 40 HG1 THR 40 16.999 4.245 4.423 320 1HG2 THR 40 HG21 THR 40 15.117 4.774 1.244 321 2HG2 THR 40 HG22 THR 40 14.850 3.481 2.412 322 3HG2 THR 40 HG23 THR 40 16.471 3.775 1.783 323 H LEU 41 HN LEU 41 15.862 8.364 2.594 324 HA LEU 41 HA LEU 41 15.103 8.254 -0.094 325 1HB LEU 41 HB2 LEU 41 14.584 9.995 1.872 326 2HB LEU 41 HB1 LEU 41 15.870 10.913 1.101 327 HG LEU 41 HG LEU 41 13.324 9.942 -0.176 328 1HD1 LEU 41 HD11 LEU 41 14.291 12.772 0.230 329 2HD1 LEU 41 HD12 LEU 41 13.191 11.950 1.336 330 3HD1 LEU 41 HD13 LEU 41 12.703 12.251 -0.331 331 1HD2 LEU 41 HD21 LEU 41 15.818 11.199 -1.348 332 2HD2 LEU 41 HD22 LEU 41 14.261 11.430 -2.130 333 3HD2 LEU 41 HD23 LEU 41 14.903 9.807 -1.931 334 H VAL 42 HN VAL 42 18.070 9.598 1.357 335 HA VAL 42 HA VAL 42 19.205 10.485 -1.103 336 HB VAL 42 HB VAL 42 20.439 9.840 1.596 337 1HG1 VAL 42 HG11 VAL 42 21.638 10.991 -0.949 338 2HG1 VAL 42 HG12 VAL 42 22.292 9.736 0.101 339 3HG1 VAL 42 HG13 VAL 42 22.305 11.415 0.632 340 1HG2 VAL 42 HG21 VAL 42 20.444 12.319 1.798 341 2HG2 VAL 42 HG22 VAL 42 18.817 11.667 1.606 342 3HG2 VAL 42 HG23 VAL 42 19.625 12.432 0.239 343 H GLN 43 HN GLN 43 18.564 7.424 -0.020 344 HA GLN 43 HA GLN 43 20.827 6.206 -1.535 345 1HB GLN 43 HB2 GLN 43 20.711 5.610 0.878 346 2HB GLN 43 HB1 GLN 43 19.093 4.958 0.614 347 1HG GLN 43 HG2 GLN 43 19.936 3.289 -0.915 348 2HG GLN 43 HG1 GLN 43 21.541 4.016 -0.908 349 1HE2 GLN 43 HE21 GLN 43 21.060 1.273 -0.170 350 2HE2 GLN 43 HE22 GLN 43 21.446 1.104 1.475 351 H ASP 44 HN ASP 44 17.335 6.091 -0.934 352 HA ASP 44 HA ASP 44 16.540 3.962 -2.463 353 1HB ASP 44 HB2 ASP 44 14.982 5.367 -1.163 354 2HB ASP 44 HB1 ASP 44 15.180 6.671 -2.332 355 H GLN 45 HN GLN 45 17.153 7.271 -3.587 356 HA GLN 45 HA GLN 45 17.096 6.325 -6.389 357 1HB GLN 45 HB2 GLN 45 15.639 8.235 -5.715 358 2HB GLN 45 HB1 GLN 45 17.083 9.150 -5.299 359 1HG GLN 45 HG2 GLN 45 16.521 9.783 -7.520 360 2HG GLN 45 HG1 GLN 45 17.894 8.709 -7.676 361 1HE2 GLN 45 HE21 GLN 45 14.296 8.561 -7.652 362 2HE2 GLN 45 HE22 GLN 45 14.191 7.336 -8.822 363 H LEU 46 HN LEU 46 18.818 9.177 -5.304 364 HA LEU 46 HA LEU 46 21.025 9.745 -5.284 365 1HB LEU 46 HB2 LEU 46 21.073 7.223 -4.228 366 2HB LEU 46 HB1 LEU 46 22.044 6.938 -5.668 367 HG LEU 46 HG LEU 46 22.576 9.098 -3.599 368 1HD1 LEU 46 HD11 LEU 46 24.478 7.688 -2.948 369 2HD1 LEU 46 HD12 LEU 46 24.004 6.483 -4.145 370 3HD1 LEU 46 HD13 LEU 46 22.963 6.804 -2.758 371 1HD2 LEU 46 HD21 LEU 46 24.146 8.157 -6.024 372 2HD2 LEU 46 HD22 LEU 46 24.753 9.291 -4.818 373 3HD2 LEU 46 HD23 LEU 46 23.376 9.734 -5.831 374 H THR 47 HN THR 47 19.457 9.628 -7.664 375 HA THR 47 HA THR 47 21.350 8.782 -9.765 376 HB THR 47 HB THR 47 18.895 8.150 -9.845 377 HG1 THR 47 HG1 THR 47 18.800 8.946 -12.124 378 1HG2 THR 47 HG21 THR 47 18.193 10.575 -9.126 379 2HG2 THR 47 HG22 THR 47 17.242 9.770 -10.377 380 3HG2 THR 47 HG23 THR 47 18.452 10.968 -10.825 381 H LYS 48 HN LYS 48 20.098 11.580 -8.184 382 HA LYS 48 HA LYS 48 21.999 13.295 -9.473 383 1HB LYS 48 HB2 LYS 48 20.467 13.285 -11.306 384 2HB LYS 48 HB1 LYS 48 19.086 13.505 -10.242 385 1HG LYS 48 HG2 LYS 48 19.536 15.767 -9.864 386 2HG LYS 48 HG1 LYS 48 21.259 15.610 -10.173 387 1HD LYS 48 HD2 LYS 48 19.291 15.162 -12.437 388 2HD LYS 48 HD1 LYS 48 19.722 16.808 -11.963 389 1HE LYS 48 HE2 LYS 48 22.082 16.353 -12.316 390 2HE LYS 48 HE1 LYS 48 21.748 14.661 -12.671 391 1HZ LYS 48 HZ1 LYS 48 21.924 15.693 -14.748 392 2HZ LYS 48 HZ2 LYS 48 21.007 17.040 -14.266 393 3HZ LYS 48 HZ3 LYS 48 20.254 15.534 -14.499 394 H ASN 49 HN ASN 49 22.499 14.905 -8.129 395 HA ASN 49 HA ASN 49 21.526 15.111 -5.563 396 1HB ASN 49 HB2 ASN 49 22.709 17.387 -7.154 397 2HB ASN 49 HB1 ASN 49 22.701 17.205 -5.399 398 1HD2 ASN 49 HD21 ASN 49 24.987 17.273 -7.468 399 2HD2 ASN 49 HD22 ASN 49 25.902 15.891 -7.102 400 H ALA 50 HN ALA 50 20.427 16.688 -8.506 401 HA ALA 50 HA ALA 50 18.671 18.545 -7.202 402 1HB ALA 50 HB1 ALA 50 18.095 17.632 -10.016 403 2HB ALA 50 HB2 ALA 50 19.612 18.473 -9.700 404 3HB ALA 50 HB3 ALA 50 18.077 19.261 -9.338 405 H VAL 51 HN VAL 51 18.116 15.421 -8.814 406 HA VAL 51 HA VAL 51 15.349 15.228 -8.542 407 HB VAL 51 HB VAL 51 17.523 13.121 -8.473 408 1HG1 VAL 51 HG11 VAL 51 15.808 12.020 -7.238 409 2HG1 VAL 51 HG12 VAL 51 15.548 11.480 -8.897 410 3HG1 VAL 51 HG13 VAL 51 14.524 12.741 -8.208 411 1HG2 VAL 51 HG21 VAL 51 16.916 14.444 -10.588 412 2HG2 VAL 51 HG22 VAL 51 15.355 13.626 -10.538 413 3HG2 VAL 51 HG23 VAL 51 16.834 12.690 -10.730 414 H VAL 52 HN VAL 52 17.840 14.418 -6.140 415 HA VAL 52 HA VAL 52 15.910 13.580 -4.161 416 HB VAL 52 HB VAL 52 17.862 13.529 -2.627 417 1HG1 VAL 52 HG11 VAL 52 17.388 11.571 -4.017 418 2HG1 VAL 52 HG12 VAL 52 19.132 11.799 -3.913 419 3HG1 VAL 52 HG13 VAL 52 18.266 12.282 -5.373 420 1HG2 VAL 52 HG21 VAL 52 19.081 15.452 -3.584 421 2HG2 VAL 52 HG22 VAL 52 19.312 14.533 -5.069 422 3HG2 VAL 52 HG23 VAL 52 20.093 14.003 -3.586 423 H LEU 53 HN LEU 53 17.551 16.550 -5.000 424 HA LEU 53 HA LEU 53 17.085 17.927 -2.576 425 1HB LEU 53 HB2 LEU 53 18.459 18.569 -4.817 426 2HB LEU 53 HB1 LEU 53 17.010 19.474 -5.177 427 HG LEU 53 HG LEU 53 18.564 20.935 -4.050 428 1HD1 LEU 53 HD11 LEU 53 16.579 20.158 -1.911 429 2HD1 LEU 53 HD12 LEU 53 16.052 20.909 -3.419 430 3HD1 LEU 53 HD13 LEU 53 17.160 21.765 -2.342 431 1HD2 LEU 53 HD21 LEU 53 19.553 18.694 -2.751 432 2HD2 LEU 53 HD22 LEU 53 18.636 19.456 -1.455 433 3HD2 LEU 53 HD23 LEU 53 19.902 20.356 -2.287 434 H LYS 54 HN LYS 54 15.168 17.795 -5.584 435 HA LYS 54 HA LYS 54 13.113 19.523 -4.708 436 1HB LYS 54 HB2 LYS 54 11.757 18.429 -6.535 437 2HB LYS 54 HB1 LYS 54 13.325 19.042 -7.060 438 1HG LYS 54 HG2 LYS 54 14.269 16.791 -6.917 439 2HG LYS 54 HG1 LYS 54 12.758 16.164 -6.306 440 1HD LYS 54 HD2 LYS 54 13.000 15.653 -8.671 441 2HD LYS 54 HD1 LYS 54 11.639 16.736 -8.396 442 1HE LYS 54 HE2 LYS 54 13.287 17.274 -10.364 443 2HE LYS 54 HE1 LYS 54 12.765 18.597 -9.324 444 1HZ LYS 54 HZ1 LYS 54 15.212 17.065 -8.708 445 2HZ LYS 54 HZ2 LYS 54 14.784 18.636 -8.221 446 3HZ LYS 54 HZ3 LYS 54 15.244 18.337 -9.828 447 H ARG 55 HN ARG 55 13.551 16.031 -4.496 448 HA ARG 55 HA ARG 55 11.007 15.439 -3.434 449 1HB ARG 55 HB2 ARG 55 12.785 13.842 -4.464 450 2HB ARG 55 HB1 ARG 55 13.515 13.838 -2.860 451 1HG ARG 55 HG2 ARG 55 12.065 12.004 -2.647 452 2HG ARG 55 HG1 ARG 55 11.006 13.286 -2.068 453 1HD ARG 55 HD2 ARG 55 9.811 11.911 -3.683 454 2HD ARG 55 HD1 ARG 55 10.086 13.499 -4.392 455 HE ARG 55 HE ARG 55 12.186 11.644 -5.040 456 1HH1 ARG 55 HH21 ARG 55 8.972 12.679 -5.797 457 2HH1 ARG 55 HH22 ARG 55 9.026 12.108 -7.432 458 1HH2 ARG 55 HH11 ARG 55 12.260 10.880 -7.177 459 2HH2 ARG 55 HH12 ARG 55 10.887 11.089 -8.212 460 H ILE 56 HN ILE 56 14.135 16.139 -1.922 461 HA ILE 56 HA ILE 56 13.329 15.703 0.746 462 HB ILE 56 HB ILE 56 15.478 17.452 -0.485 463 1HG1 ILE 56 HG12 ILE 56 15.466 14.798 -0.558 464 2HG1 ILE 56 HG11 ILE 56 16.951 15.642 -0.143 465 1HG2 ILE 56 HG21 ILE 56 14.824 16.938 2.433 466 2HG2 ILE 56 HG22 ILE 56 15.125 18.480 1.631 467 3HG2 ILE 56 HG23 ILE 56 16.458 17.364 1.921 468 1HD1 ILE 56 HD11 ILE 56 16.256 13.655 1.298 469 2HD1 ILE 56 HD12 ILE 56 15.014 14.710 1.973 470 3HD1 ILE 56 HD13 ILE 56 16.712 15.138 2.137 471 H GLN 57 HN GLN 57 13.343 18.634 -1.272 472 HA GLN 57 HA GLN 57 12.521 20.478 0.647 473 1HB GLN 57 HB2 GLN 57 12.011 20.330 -2.337 474 2HB GLN 57 HB1 GLN 57 11.491 21.703 -1.361 475 1HG GLN 57 HG2 GLN 57 13.766 22.171 -0.690 476 2HG GLN 57 HG1 GLN 57 14.344 20.708 -1.463 477 1HE2 GLN 57 HE21 GLN 57 14.878 23.709 -2.017 478 2HE2 GLN 57 HE22 GLN 57 14.595 23.860 -3.684 479 H HIS 58 HN HIS 58 10.697 18.042 -1.101 480 HA HIS 58 HA HIS 58 8.111 19.049 -0.427 481 1HB HIS 58 HB2 HIS 58 8.913 16.230 -1.175 482 2HB HIS 58 HB1 HIS 58 7.291 16.903 -1.208 483 HD1 HIS 58 HD1 HIS 58 9.174 19.629 -2.277 484 HD2 HIS 58 HD2 HIS 58 8.125 16.044 -4.128 485 HE1 HIS 58 HE1 HIS 58 9.389 20.020 -4.770 486 HE2 HIS 58 HE2 HIS 58 8.752 17.843 -5.912 487 H LEU 59 HN LEU 59 10.386 16.777 1.046 488 HA LEU 59 HA LEU 59 8.554 15.893 3.068 489 1HB LEU 59 HB2 LEU 59 10.628 14.617 2.295 490 2HB LEU 59 HB1 LEU 59 11.576 15.788 3.201 491 HG LEU 59 HG LEU 59 10.154 15.173 5.252 492 1HD1 LEU 59 HD11 LEU 59 9.173 13.073 3.298 493 2HD1 LEU 59 HD12 LEU 59 8.243 14.073 4.411 494 3HD1 LEU 59 HD13 LEU 59 9.205 12.749 5.032 495 1HD2 LEU 59 HD21 LEU 59 12.493 14.289 4.762 496 2HD2 LEU 59 HD22 LEU 59 11.720 12.847 4.109 497 3HD2 LEU 59 HD23 LEU 59 11.498 13.277 5.807 498 H ASP 60 HN ASP 60 10.798 18.545 2.721 499 HA ASP 60 HA ASP 60 11.256 19.244 5.356 500 1HB ASP 60 HB2 ASP 60 10.879 21.032 2.950 501 2HB ASP 60 HB1 ASP 60 11.440 21.613 4.515 502 H GLU 61 HN GLU 61 8.439 19.882 3.337 503 HA GLU 61 HA GLU 61 7.103 21.594 5.181 504 1HB GLU 61 HB2 GLU 61 5.301 21.546 3.677 505 2HB GLU 61 HB1 GLU 61 6.647 21.123 2.619 506 1HG GLU 61 HG2 GLU 61 6.038 18.633 3.243 507 2HG GLU 61 HG1 GLU 61 4.511 19.309 3.778 508 H ALA 62 HN ALA 62 7.637 18.211 5.117 509 HA ALA 62 HA ALA 62 5.291 17.372 6.480 510 1HB ALA 62 HB1 ALA 62 7.980 16.001 6.671 511 2HB ALA 62 HB2 ALA 62 6.980 15.913 5.225 512 3HB ALA 62 HB3 ALA 62 6.378 15.267 6.748 513 H TYR 63 HN TYR 63 8.617 17.704 7.750 514 HA TYR 63 HA TYR 63 7.940 17.412 10.419 515 1HB TYR 63 HB2 TYR 63 10.160 18.010 10.893 516 2HB TYR 63 HB1 TYR 63 10.300 17.617 9.186 517 HD1 TYR 63 HD2 TYR 63 9.829 20.430 11.587 518 HD2 TYR 63 HD1 TYR 63 10.935 19.294 7.608 519 HE1 TYR 63 HE2 TYR 63 10.581 22.750 11.140 520 HE2 TYR 63 HE1 TYR 63 11.683 21.614 7.144 521 HH TYR 63 HH TYR 63 12.450 23.748 9.284 522 H ASN 64 HN ASN 64 8.019 20.279 8.377 523 HA ASN 64 HA ASN 64 7.606 22.231 10.365 524 1HB ASN 64 HB2 ASN 64 8.366 22.744 8.072 525 2HB ASN 64 HB1 ASN 64 6.772 22.303 7.458 526 1HD2 ASN 64 HD21 ASN 64 6.145 24.431 6.766 527 2HD2 ASN 64 HD22 ASN 64 5.915 25.712 7.854 528 H LYS 65 HN LYS 65 5.370 20.321 8.406 529 HA LYS 65 HA LYS 65 2.997 21.622 9.116 530 1HB LYS 65 HB2 LYS 65 3.311 19.782 7.361 531 2HB LYS 65 HB1 LYS 65 3.261 18.629 8.692 532 1HG LYS 65 HG2 LYS 65 0.983 18.673 8.141 533 2HG LYS 65 HG1 LYS 65 1.001 19.986 9.310 534 1HD LYS 65 HD2 LYS 65 1.294 21.605 7.442 535 2HD LYS 65 HD1 LYS 65 1.216 20.267 6.296 536 1HE LYS 65 HE2 LYS 65 -1.036 19.693 7.122 537 2HE LYS 65 HE1 LYS 65 -0.963 21.052 8.246 538 1HZ LYS 65 HZ1 LYS 65 -2.136 21.661 6.235 539 2HZ LYS 65 HZ2 LYS 65 -0.795 21.226 5.288 540 3HZ LYS 65 HZ3 LYS 65 -0.691 22.541 6.360 541 H VAL 66 HN VAL 66 4.750 18.983 10.719 542 HA VAL 66 HA VAL 66 2.839 18.488 12.744 543 HB VAL 66 HB VAL 66 5.859 18.112 12.812 544 1HG1 VAL 66 HG11 VAL 66 3.632 17.033 14.558 545 2HG1 VAL 66 HG12 VAL 66 5.000 18.022 15.065 546 3HG1 VAL 66 HG13 VAL 66 5.263 16.363 14.532 547 1HG2 VAL 66 HG21 VAL 66 4.889 16.883 10.969 548 2HG2 VAL 66 HG22 VAL 66 3.563 16.308 11.981 549 3HG2 VAL 66 HG23 VAL 66 5.206 15.740 12.271 550 H LYS 67 HN LYS 67 5.859 20.396 12.868 551 HA LYS 67 HA LYS 67 5.441 21.454 15.450 552 1HB LYS 67 HB2 LYS 67 6.990 22.681 13.165 553 2HB LYS 67 HB1 LYS 67 7.173 23.032 14.881 554 1HG LYS 67 HG2 LYS 67 7.429 20.240 14.851 555 2HG LYS 67 HG1 LYS 67 8.172 20.714 13.328 556 1HD LYS 67 HD2 LYS 67 8.921 21.899 16.005 557 2HD LYS 67 HD1 LYS 67 9.769 20.550 15.246 558 1HE LYS 67 HE2 LYS 67 10.344 21.949 13.337 559 2HE LYS 67 HE1 LYS 67 9.398 23.289 13.977 560 1HZ LYS 67 HZ1 LYS 67 12.033 22.914 14.395 561 2HZ LYS 67 HZ2 LYS 67 11.369 22.236 15.804 562 3HZ LYS 67 HZ3 LYS 67 11.024 23.847 15.388 563 H ARG 68 HN ARG 68 4.696 22.709 12.230 564 HA ARG 68 HA ARG 68 3.693 25.217 13.087 565 1HB ARG 68 HB2 ARG 68 4.447 24.720 10.769 566 2HB ARG 68 HB1 ARG 68 3.048 23.667 10.563 567 1HG ARG 68 HG2 ARG 68 1.530 25.523 10.896 568 2HG ARG 68 HG1 ARG 68 2.867 26.595 11.305 569 1HD ARG 68 HD2 ARG 68 3.784 26.325 9.035 570 2HD ARG 68 HD1 ARG 68 2.459 25.235 8.628 571 HE ARG 68 HE ARG 68 1.044 27.076 8.432 572 1HH1 ARG 68 HH21 ARG 68 4.011 27.939 9.989 573 2HH1 ARG 68 HH22 ARG 68 3.700 29.643 9.943 574 1HH2 ARG 68 HH11 ARG 68 0.631 29.305 8.362 575 2HH2 ARG 68 HH12 ARG 68 1.785 30.416 9.022 576 H GLY 69 HN GLY 69 2.409 22.033 13.163 577 1HA GLY 69 HA2 GLY 69 -0.355 23.019 13.570 578 2HA GLY 69 HA1 GLY 69 0.102 21.380 13.115 579 H GLU 70 HN GLU 70 2.404 21.865 15.199 580 HA GLU 70 HA GLU 70 1.433 20.277 17.238 581 1HB GLU 70 HB2 GLU 70 3.721 22.116 16.920 582 2HB GLU 70 HB1 GLU 70 3.261 21.911 18.598 583 1HG GLU 70 HG2 GLU 70 3.772 19.599 16.693 584 2HG GLU 70 HG1 GLU 70 4.971 20.270 17.790 585 H SER 71 HN SER 71 1.412 21.143 19.651 586 HA SER 71 HA SER 71 -1.039 22.508 19.953 587 1HB SER 71 HB2 SER 71 -0.163 20.930 21.617 588 2HB SER 71 HB1 SER 71 1.152 22.041 21.983 589 HG SER 71 HG SER 71 -1.591 22.232 22.537 590 H LYS 72 HN LYS 72 -0.672 24.427 18.667 591 HA LYS 72 HA LYS 72 -0.295 26.673 18.419 592 1HB LYS 72 HB2 LYS 72 0.314 26.690 21.389 593 2HB LYS 72 HB1 LYS 72 -0.243 28.033 20.396 594 1HG LYS 72 HG2 LYS 72 -2.361 26.852 19.964 595 2HG LYS 72 HG1 LYS 72 -1.814 25.502 20.956 596 1HD LYS 72 HD2 LYS 72 -1.677 26.943 22.916 597 2HD LYS 72 HD1 LYS 72 -2.125 28.347 21.945 598 1HE LYS 72 HE2 LYS 72 -4.093 27.497 23.132 599 2HE LYS 72 HE1 LYS 72 -4.285 27.251 21.397 600 1HZ LYS 72 HZ1 LYS 72 -4.240 25.045 21.628 601 2HZ LYS 72 HZ2 LYS 72 -4.567 25.334 23.270 602 3HZ LYS 72 HZ3 LYS 72 -2.969 25.076 22.752 603 H LEU 73 HN LEU 73 2.034 25.761 20.964 604 HA LEU 73 HA LEU 73 4.309 25.868 21.066 605 1HB LEU 73 HB2 LEU 73 4.000 24.565 18.833 606 2HB LEU 73 HB1 LEU 73 4.367 26.096 18.043 607 HG LEU 73 HG LEU 73 6.460 26.084 19.737 608 1HD1 LEU 73 HD11 LEU 73 5.888 23.132 19.322 609 2HD1 LEU 73 HD12 LEU 73 5.757 23.981 20.862 610 3HD1 LEU 73 HD13 LEU 73 7.328 23.814 20.077 611 1HD2 LEU 73 HD21 LEU 73 6.301 24.429 17.198 612 2HD2 LEU 73 HD22 LEU 73 7.799 24.960 17.961 613 3HD2 LEU 73 HD23 LEU 73 6.675 26.149 17.301 614 H GLU 74 HN GLU 74 2.910 28.215 21.448 615 HA GLU 74 HA GLU 74 3.860 30.365 19.850 616 1HB GLU 74 HB2 GLU 74 2.982 30.640 22.735 617 2HB GLU 74 HB1 GLU 74 2.777 31.789 21.409 618 1HG GLU 74 HG2 GLU 74 1.264 30.064 20.293 619 2HG GLU 74 HG1 GLU 74 1.359 29.139 21.789 620 H HIS 75 HN HIS 75 4.698 29.431 23.185 621 HA HIS 75 HA HIS 75 6.588 29.791 24.440 622 1HB HIS 75 HB2 HIS 75 7.905 29.519 21.728 623 2HB HIS 75 HB1 HIS 75 8.736 29.419 23.279 624 HD1 HIS 75 HD1 HIS 75 9.045 26.926 21.780 625 HD2 HIS 75 HD2 HIS 75 5.595 27.622 24.012 626 HE1 HIS 75 HE1 HIS 75 8.009 24.658 22.223 627 HE2 HIS 75 HE2 HIS 75 5.903 25.066 23.583 628 H HIS 76 HN HIS 76 6.449 31.829 25.242 629 HA HIS 76 HA HIS 76 6.819 34.081 25.479 630 1HB HIS 76 HB2 HIS 76 9.082 33.539 23.539 631 2HB HIS 76 HB1 HIS 76 8.946 34.916 24.629 632 HD1 HIS 76 HD1 HIS 76 9.706 31.250 24.567 633 HD2 HIS 76 HD2 HIS 76 9.439 34.314 27.381 634 HE1 HIS 76 HE1 HIS 76 10.710 30.344 26.710 635 HE2 HIS 76 HE2 HIS 76 10.555 32.201 28.436 636 H HIS 77 HN HIS 77 4.728 34.193 24.199 637 HA HIS 77 HA HIS 77 4.710 34.832 21.447 638 1HB HIS 77 HB2 HIS 77 2.701 34.150 22.747 639 2HB HIS 77 HB1 HIS 77 2.740 35.706 23.575 640 HD1 HIS 77 HD1 HIS 77 2.096 37.817 22.200 641 HD2 HIS 77 HD2 HIS 77 1.843 34.265 20.032 642 HE1 HIS 77 HE1 HIS 77 0.850 38.368 20.065 643 HE2 HIS 77 HE2 HIS 77 0.688 36.213 18.732 644 H HIS 78 HN HIS 78 4.893 36.850 24.357 645 HA HIS 78 HA HIS 78 6.264 38.942 22.932 646 1HB HIS 78 HB2 HIS 78 3.886 39.366 22.277 647 2HB HIS 78 HB1 HIS 78 3.490 39.562 23.984 648 HD1 HIS 78 HD1 HIS 78 4.485 41.654 25.214 649 HD2 HIS 78 HD2 HIS 78 5.286 41.540 21.125 650 HE1 HIS 78 HE1 HIS 78 5.334 43.957 24.586 651 HE2 HIS 78 HE2 HIS 78 5.827 43.903 22.096 652 H HIS 79 HN HIS 79 7.656 38.158 24.715 653 HA HIS 79 HA HIS 79 6.959 38.644 27.441 654 1HB HIS 79 HB2 HIS 79 8.729 37.050 26.757 655 2HB HIS 79 HB1 HIS 79 9.703 38.403 26.182 656 HD1 HIS 79 HD1 HIS 79 8.208 37.015 29.382 657 HD2 HIS 79 HD2 HIS 79 11.104 39.765 28.185 658 HE1 HIS 79 HE1 HIS 79 9.427 37.732 31.483 659 HE2 HIS 79 HE2 HIS 79 11.196 39.408 30.770 660 H HIS 80 HN HIS 80 7.070 40.460 28.616 661 HA HIS 80 HA HIS 80 7.297 42.688 29.124 662 1HB HIS 80 HB2 HIS 80 9.690 41.979 29.189 663 2HB HIS 80 HB1 HIS 80 9.841 42.449 27.497 664 HD1 HIS 80 HD1 HIS 80 9.576 45.021 26.946 665 HD2 HIS 80 HD2 HIS 80 9.696 44.122 31.015 666 HE1 HIS 80 HE1 HIS 80 9.967 47.213 28.153 667 HE2 HIS 80 HE2 HIS 80 10.043 46.682 30.635 668 1H MET 1 HT1 MET 1 40.092 32.723 21.588 669 2H MET 1 HT2 MET 1 41.052 33.277 20.300 670 3H MET 1 HT3 MET 1 41.777 32.530 21.643 671 HA MET 1 HA MET 1 41.764 30.933 19.920 672 1HB MET 1 HB2 MET 1 39.520 30.499 21.917 673 2HB MET 1 HB1 MET 1 40.180 29.228 20.891 674 1HG MET 1 HG2 MET 1 42.407 29.570 21.870 675 2HG MET 1 HG1 MET 1 41.775 30.875 22.876 676 1HE MET 1 HE1 MET 1 42.291 29.880 25.299 677 2HE MET 1 HE2 MET 1 43.328 28.980 24.196 678 3HE MET 1 HE3 MET 1 42.441 28.124 25.455 679 H SER 2 HN SER 2 38.583 30.001 20.197 680 HA SER 2 HA SER 2 36.883 29.812 18.659 681 1HB SER 2 HB2 SER 2 37.561 32.686 18.001 682 2HB SER 2 HB1 SER 2 36.008 31.881 17.803 683 HG SER 2 HG SER 2 37.333 32.706 20.144 684 H GLU 3 HN GLU 3 39.891 29.650 17.802 685 HA GLU 3 HA GLU 3 39.948 30.326 15.029 686 1HB GLU 3 HB2 GLU 3 41.990 30.017 16.433 687 2HB GLU 3 HB1 GLU 3 41.634 28.293 16.517 688 1HG GLU 3 HG2 GLU 3 41.823 28.097 14.087 689 2HG GLU 3 HG1 GLU 3 42.063 29.836 13.942 690 H LEU 4 HN LEU 4 39.383 29.192 13.273 691 HA LEU 4 HA LEU 4 37.687 26.876 13.643 692 1HB LEU 4 HB2 LEU 4 37.454 28.804 11.898 693 2HB LEU 4 HB1 LEU 4 38.630 27.903 10.950 694 HG LEU 4 HG LEU 4 36.021 26.743 11.992 695 1HD1 LEU 4 HD11 LEU 4 35.290 26.895 9.616 696 2HD1 LEU 4 HD12 LEU 4 36.759 27.802 9.257 697 3HD1 LEU 4 HD13 LEU 4 35.555 28.475 10.357 698 1HD2 LEU 4 HD21 LEU 4 37.475 24.918 11.624 699 2HD2 LEU 4 HD22 LEU 4 38.249 25.670 10.232 700 3HD2 LEU 4 HD23 LEU 4 36.607 25.032 10.103 701 H PHE 5 HN PHE 5 38.618 25.008 14.103 702 HA PHE 5 HA PHE 5 41.206 24.271 12.924 703 1HB PHE 5 HB2 PHE 5 39.450 22.875 14.963 704 2HB PHE 5 HB1 PHE 5 41.021 22.297 14.414 705 HD1 PHE 5 HD1 PHE 5 43.010 23.965 14.569 706 HD2 PHE 5 HD2 PHE 5 39.371 24.374 16.818 707 HE1 PHE 5 HE1 PHE 5 44.176 25.434 16.191 708 HE2 PHE 5 HE2 PHE 5 40.537 25.843 18.437 709 HZ PHE 5 HZ PHE 5 42.940 26.373 18.125 710 H SER 6 HN SER 6 40.094 24.276 10.751 711 HA SER 6 HA SER 6 39.129 23.195 8.963 712 1HB SER 6 HB2 SER 6 39.801 20.742 8.881 713 2HB SER 6 HB1 SER 6 41.121 21.872 9.166 714 HG SER 6 HG SER 6 41.062 20.035 10.607 715 H VAL 7 HN VAL 7 38.039 20.554 8.814 716 HA VAL 7 HA VAL 7 35.368 21.011 9.526 717 HB VAL 7 HB VAL 7 36.933 18.563 8.723 718 1HG1 VAL 7 HG11 VAL 7 34.113 18.585 9.840 719 2HG1 VAL 7 HG12 VAL 7 35.446 17.523 10.283 720 3HG1 VAL 7 HG13 VAL 7 34.646 17.327 8.732 721 1HG2 VAL 7 HG21 VAL 7 36.120 20.213 7.027 722 2HG2 VAL 7 HG22 VAL 7 34.464 19.842 7.514 723 3HG2 VAL 7 HG23 VAL 7 35.472 18.589 6.791 724 HA PRO 8 HA PRO 8 36.359 17.875 13.352 725 1HB PRO 8 HB2 PRO 8 38.847 19.415 14.045 726 2HB PRO 8 HB1 PRO 8 38.484 17.696 14.286 727 1HG PRO 8 HG2 PRO 8 40.033 18.750 12.208 728 2HG PRO 8 HG1 PRO 8 39.317 17.132 12.240 729 1HD PRO 8 HD2 PRO 8 38.637 19.276 10.472 730 2HD PRO 8 HD1 PRO 8 37.856 17.692 10.587 731 H TYR 9 HN TYR 9 36.905 21.309 12.862 732 HA TYR 9 HA TYR 9 36.406 22.286 15.439 733 1HB TYR 9 HB2 TYR 9 37.281 23.696 13.632 734 2HB TYR 9 HB1 TYR 9 35.762 23.530 12.748 735 HD1 TYR 9 HD2 TYR 9 33.691 24.598 13.561 736 HD2 TYR 9 HD1 TYR 9 37.422 25.103 15.629 737 HE1 TYR 9 HE2 TYR 9 32.720 26.476 14.855 738 HE2 TYR 9 HE1 TYR 9 36.449 26.979 16.926 739 HH TYR 9 HH TYR 9 34.494 28.680 16.515 740 H PHE 10 HN PHE 10 34.195 21.332 12.840 741 HA PHE 10 HA PHE 10 31.811 22.325 13.970 742 1HB PHE 10 HB2 PHE 10 32.588 20.610 11.722 743 2HB PHE 10 HB1 PHE 10 31.136 19.970 12.484 744 HD1 PHE 10 HD1 PHE 10 32.511 23.392 11.733 745 HD2 PHE 10 HD2 PHE 10 29.158 20.722 11.434 746 HE1 PHE 10 HE1 PHE 10 31.192 25.171 10.617 747 HE2 PHE 10 HE2 PHE 10 27.845 22.501 10.319 748 HZ PHE 10 HZ PHE 10 28.853 24.721 9.910 749 H ILE 11 HN ILE 11 33.456 19.198 14.303 750 HA ILE 11 HA ILE 11 31.461 17.983 15.902 751 HB ILE 11 HB ILE 11 34.413 17.366 15.750 752 1HG1 ILE 11 HG12 ILE 11 32.077 16.166 14.240 753 2HG1 ILE 11 HG11 ILE 11 33.162 17.361 13.552 754 1HG2 ILE 11 HG21 ILE 11 33.604 15.090 16.472 755 2HG2 ILE 11 HG22 ILE 11 32.010 15.794 16.739 756 3HG2 ILE 11 HG23 ILE 11 33.389 16.333 17.701 757 1HD1 ILE 11 HD11 ILE 11 33.821 15.066 12.921 758 2HD1 ILE 11 HD12 ILE 11 34.016 14.663 14.626 759 3HD1 ILE 11 HD13 ILE 11 35.069 15.864 13.879 760 H GLU 12 HN GLU 12 34.491 19.635 16.666 761 HA GLU 12 HA GLU 12 34.607 19.295 19.393 762 1HB GLU 12 HB2 GLU 12 36.296 20.462 17.921 763 2HB GLU 12 HB1 GLU 12 35.261 21.890 17.971 764 1HG GLU 12 HG2 GLU 12 35.423 21.929 20.422 765 2HG GLU 12 HG1 GLU 12 36.432 20.487 20.378 766 H ASN 13 HN ASN 13 32.350 21.173 17.562 767 HA ASN 13 HA ASN 13 31.468 22.864 19.722 768 1HB ASN 13 HB2 ASN 13 30.040 22.140 17.155 769 2HB ASN 13 HB1 ASN 13 29.667 23.491 18.224 770 1HD2 ASN 13 HD21 ASN 13 32.290 24.428 18.795 771 2HD2 ASN 13 HD22 ASN 13 32.995 24.991 17.357 772 H LEU 14 HN LEU 14 30.523 19.759 18.384 773 HA LEU 14 HA LEU 14 28.075 19.469 19.814 774 1HB LEU 14 HB2 LEU 14 29.820 17.196 18.816 775 2HB LEU 14 HB1 LEU 14 28.063 17.250 18.954 776 HG LEU 14 HG LEU 14 29.732 18.899 17.041 777 1HD1 LEU 14 HD11 LEU 14 27.762 16.719 16.366 778 2HD1 LEU 14 HD12 LEU 14 29.491 16.411 16.559 779 3HD1 LEU 14 HD13 LEU 14 28.922 17.511 15.305 780 1HD2 LEU 14 HD21 LEU 14 27.514 19.467 16.063 781 2HD2 LEU 14 HD22 LEU 14 27.801 20.181 17.637 782 3HD2 LEU 14 HD23 LEU 14 26.750 18.768 17.488 783 H LYS 15 HN LYS 15 31.429 18.547 20.436 784 HA LYS 15 HA LYS 15 31.076 16.861 22.613 785 1HB LYS 15 HB2 LYS 15 33.283 18.851 22.049 786 2HB LYS 15 HB1 LYS 15 33.357 17.645 23.333 787 1HG LYS 15 HG2 LYS 15 33.022 15.855 21.630 788 2HG LYS 15 HG1 LYS 15 33.056 17.086 20.367 789 1HD LYS 15 HD2 LYS 15 35.331 17.736 21.047 790 2HD LYS 15 HD1 LYS 15 35.298 16.528 22.330 791 1HE LYS 15 HE2 LYS 15 35.016 14.743 20.650 792 2HE LYS 15 HE1 LYS 15 35.053 15.949 19.366 793 1HZ LYS 15 HZ1 LYS 15 37.275 16.567 20.670 794 2HZ LYS 15 HZ2 LYS 15 37.231 15.462 19.380 795 3HZ LYS 15 HZ3 LYS 15 37.221 14.901 20.985 796 H GLN 16 HN GLN 16 31.151 20.396 22.480 797 HA GLN 16 HA GLN 16 30.991 20.784 25.315 798 1HB GLN 16 HB2 GLN 16 31.827 22.494 23.662 799 2HB GLN 16 HB1 GLN 16 30.160 22.705 23.128 800 1HG GLN 16 HG2 GLN 16 29.498 23.345 25.422 801 2HG GLN 16 HG1 GLN 16 31.161 23.113 25.962 802 1HE2 GLN 16 HE21 GLN 16 32.271 25.053 26.103 803 2HE2 GLN 16 HE22 GLN 16 32.025 26.395 25.094 804 H HIS 17 HN HIS 17 28.654 20.334 22.741 805 HA HIS 17 HA HIS 17 26.368 21.229 24.175 806 1HB HIS 17 HB2 HIS 17 26.530 19.210 21.924 807 2HB HIS 17 HB1 HIS 17 25.079 20.041 22.464 808 HD1 HIS 17 HD1 HIS 17 25.695 20.575 19.630 809 HD2 HIS 17 HD2 HIS 17 27.492 22.799 22.664 810 HE1 HIS 17 HE1 HIS 17 26.467 22.743 18.571 811 HE2 HIS 17 HE2 HIS 17 27.558 24.111 20.407 812 H ILE 18 HN ILE 18 27.677 17.951 23.608 813 HA ILE 18 HA ILE 18 25.753 16.688 25.337 814 HB ILE 18 HB ILE 18 27.108 14.672 25.002 815 1HG1 ILE 18 HG12 ILE 18 29.050 16.602 23.704 816 2HG1 ILE 18 HG11 ILE 18 29.350 15.658 25.156 817 1HG2 ILE 18 HG21 ILE 18 26.774 14.491 22.631 818 2HG2 ILE 18 HG22 ILE 18 27.007 16.223 22.390 819 3HG2 ILE 18 HG23 ILE 18 25.557 15.633 23.192 820 1HD1 ILE 18 HD11 ILE 18 28.935 13.574 23.724 821 2HD1 ILE 18 HD12 ILE 18 30.428 14.460 23.413 822 3HD1 ILE 18 HD13 ILE 18 29.053 14.646 22.324 823 H GLU 19 HN GLU 19 29.032 17.899 25.695 824 HA GLU 19 HA GLU 19 29.406 16.807 28.352 825 1HB GLU 19 HB2 GLU 19 31.286 17.267 26.782 826 2HB GLU 19 HB1 GLU 19 30.959 18.993 26.942 827 1HG GLU 19 HG2 GLU 19 31.411 18.900 29.335 828 2HG GLU 19 HG1 GLU 19 31.611 17.151 29.259 829 H MET 20 HN MET 20 29.005 20.136 27.093 830 HA MET 20 HA MET 20 28.534 21.178 29.771 831 1HB MET 20 HB2 MET 20 29.629 22.340 27.624 832 2HB MET 20 HB1 MET 20 27.966 22.810 27.289 833 1HG MET 20 HG2 MET 20 28.847 24.602 28.590 834 2HG MET 20 HG1 MET 20 27.894 23.652 29.727 835 1HE MET 20 HE1 MET 20 32.387 24.186 29.380 836 2HE MET 20 HE2 MET 20 31.144 24.463 28.165 837 3HE MET 20 HE3 MET 20 31.804 22.846 28.386 838 H ASN 21 HN ASN 21 26.617 21.153 26.755 839 HA ASN 21 HA ASN 21 24.376 20.959 26.370 840 1HB ASN 21 HB2 ASN 21 23.959 20.194 29.267 841 2HB ASN 21 HB1 ASN 21 23.034 19.699 27.856 842 1HD2 ASN 21 HD21 ASN 21 23.761 17.867 26.674 843 2HD2 ASN 21 HD22 ASN 21 25.129 16.963 27.116 844 H GLN 22 HN GLN 22 25.571 23.413 27.094 845 HA GLN 22 HA GLN 22 24.122 24.830 28.992 846 1HB GLN 22 HB2 GLN 22 26.234 25.600 27.868 847 2HB GLN 22 HB1 GLN 22 25.279 25.938 26.428 848 1HG GLN 22 HG2 GLN 22 25.513 28.007 27.659 849 2HG GLN 22 HG1 GLN 22 23.841 27.477 27.827 850 1HE2 GLN 22 HE21 GLN 22 23.354 28.262 29.937 851 2HE2 GLN 22 HE22 GLN 22 24.223 27.811 31.323 852 H SER 23 HN SER 23 23.496 24.177 25.585 853 HA SER 23 HA SER 23 20.668 24.849 25.939 854 1HB SER 23 HB2 SER 23 22.329 26.215 23.809 855 2HB SER 23 HB1 SER 23 20.600 26.403 24.085 856 HG SER 23 HG SER 23 21.781 26.843 26.387 857 H GLU 24 HN GLU 24 21.300 22.365 25.653 858 HA GLU 24 HA GLU 24 20.237 21.631 23.098 859 1HB GLU 24 HB2 GLU 24 22.792 22.103 22.733 860 2HB GLU 24 HB1 GLU 24 23.039 20.573 23.566 861 1HG GLU 24 HG2 GLU 24 22.950 20.008 21.236 862 2HG GLU 24 HG1 GLU 24 21.371 19.550 21.871 863 H ASP 25 HN ASP 25 21.974 19.041 23.549 864 HA ASP 25 HA ASP 25 20.835 17.941 25.979 865 1HB ASP 25 HB2 ASP 25 19.888 17.054 23.245 866 2HB ASP 25 HB1 ASP 25 19.609 16.141 24.728 867 H LYS 26 HN LYS 26 21.068 15.303 25.488 868 HA LYS 26 HA LYS 26 23.964 15.004 25.243 869 1HB LYS 26 HB2 LYS 26 22.641 13.942 27.075 870 2HB LYS 26 HB1 LYS 26 21.888 12.888 25.878 871 1HG LYS 26 HG2 LYS 26 24.156 12.087 25.209 872 2HG LYS 26 HG1 LYS 26 24.864 13.106 26.466 873 1HD LYS 26 HD2 LYS 26 23.536 11.889 28.177 874 2HD LYS 26 HD1 LYS 26 22.875 10.856 26.910 875 1HE LYS 26 HE2 LYS 26 25.115 10.046 26.357 876 2HE LYS 26 HE1 LYS 26 25.821 11.113 27.571 877 1HZ LYS 26 HZ1 LYS 26 25.088 9.827 29.266 878 2HZ LYS 26 HZ2 LYS 26 25.211 8.611 28.086 879 3HZ LYS 26 HZ3 LYS 26 23.701 9.305 28.441 880 H ILE 27 HN ILE 27 22.138 12.254 24.272 881 HA ILE 27 HA ILE 27 23.507 12.009 21.816 882 HB ILE 27 HB ILE 27 21.010 10.666 22.876 883 1HG1 ILE 27 HG12 ILE 27 23.420 10.259 23.852 884 2HG1 ILE 27 HG11 ILE 27 22.410 8.866 23.498 885 1HG2 ILE 27 HG21 ILE 27 22.424 10.268 20.223 886 2HG2 ILE 27 HG22 ILE 27 20.700 10.491 20.526 887 3HG2 ILE 27 HG23 ILE 27 21.481 8.972 20.966 888 1HD1 ILE 27 HD11 ILE 27 24.871 8.801 22.726 889 2HD1 ILE 27 HD12 ILE 27 24.384 9.905 21.444 890 3HD1 ILE 27 HD13 ILE 27 23.648 8.308 21.557 891 H HIS 28 HN HIS 28 20.351 13.383 22.630 892 HA HIS 28 HA HIS 28 19.431 13.670 19.957 893 1HB HIS 28 HB2 HIS 28 18.736 15.144 22.508 894 2HB HIS 28 HB1 HIS 28 17.901 15.426 20.981 895 HD1 HIS 28 HD1 HIS 28 18.582 12.654 23.492 896 HD2 HIS 28 HD2 HIS 28 15.984 13.500 20.344 897 HE1 HIS 28 HE1 HIS 28 16.822 10.832 23.506 898 HE2 HIS 28 HE2 HIS 28 15.230 11.333 21.592 899 H ALA 29 HN ALA 29 22.155 14.924 21.197 900 HA ALA 29 HA ALA 29 22.030 17.662 20.335 901 1HB ALA 29 HB1 ALA 29 23.641 16.910 22.031 902 2HB ALA 29 HB2 ALA 29 24.466 17.636 20.655 903 3HB ALA 29 HB3 ALA 29 24.426 15.883 20.839 904 H MET 30 HN MET 30 23.418 14.687 18.956 905 HA MET 30 HA MET 30 24.465 15.866 16.613 906 1HB MET 30 HB2 MET 30 24.036 13.328 15.768 907 2HB MET 30 HB1 MET 30 25.321 13.705 16.911 908 1HG MET 30 HG2 MET 30 24.030 12.992 18.772 909 2HG MET 30 HG1 MET 30 22.537 13.010 17.836 910 1HE MET 30 HE1 MET 30 22.235 9.752 16.182 911 2HE MET 30 HE2 MET 30 22.160 11.445 15.707 912 3HE MET 30 HE3 MET 30 21.457 10.933 17.239 913 H ASN 31 HN ASN 31 21.373 14.147 17.176 914 HA ASN 31 HA ASN 31 20.353 14.425 14.580 915 1HB ASN 31 HB2 ASN 31 18.924 14.284 17.244 916 2HB ASN 31 HB1 ASN 31 18.113 14.159 15.685 917 1HD2 ASN 31 HD21 ASN 31 18.690 12.123 17.979 918 2HD2 ASN 31 HD22 ASN 31 19.319 10.783 17.149 919 H SER 32 HN SER 32 19.912 16.522 17.438 920 HA SER 32 HA SER 32 18.303 18.441 16.110 921 1HB SER 32 HB2 SER 32 18.261 18.506 18.485 922 2HB SER 32 HB1 SER 32 20.018 18.528 18.589 923 HG SER 32 HG SER 32 20.036 20.608 18.154 924 H TYR 33 HN TYR 33 21.775 18.507 16.953 925 HA TYR 33 HA TYR 33 22.383 20.918 15.652 926 1HB TYR 33 HB2 TYR 33 23.926 19.885 17.257 927 2HB TYR 33 HB1 TYR 33 24.136 18.495 16.192 928 HD1 TYR 33 HD1 TYR 33 25.259 18.733 14.006 929 HD2 TYR 33 HD2 TYR 33 25.065 21.981 16.804 930 HE1 TYR 33 HE1 TYR 33 27.064 19.911 12.771 931 HE2 TYR 33 HE2 TYR 33 26.874 23.156 15.573 932 HH TYR 33 HH TYR 33 27.786 23.162 13.224 933 H TYR 34 HN TYR 34 22.808 17.550 14.515 934 HA TYR 34 HA TYR 34 23.779 18.091 11.965 935 1HB TYR 34 HB2 TYR 34 23.654 15.814 12.934 936 2HB TYR 34 HB1 TYR 34 21.900 15.847 12.754 937 HD1 TYR 34 HD2 TYR 34 20.855 15.847 10.514 938 HD2 TYR 34 HD1 TYR 34 25.107 15.527 11.012 939 HE1 TYR 34 HE2 TYR 34 21.071 15.077 8.166 940 HE2 TYR 34 HE1 TYR 34 25.325 14.760 8.661 941 HH TYR 34 HH TYR 34 22.458 14.196 6.643 942 H ARG 35 HN ARG 35 20.420 17.919 13.110 943 HA ARG 35 HA ARG 35 19.227 18.311 10.568 944 1HB ARG 35 HB2 ARG 35 18.025 17.354 12.506 945 2HB ARG 35 HB1 ARG 35 18.079 18.933 13.289 946 1HG ARG 35 HG2 ARG 35 16.811 19.930 11.447 947 2HG ARG 35 HG1 ARG 35 16.826 18.391 10.582 948 1HD ARG 35 HD2 ARG 35 15.609 17.365 12.512 949 2HD ARG 35 HD1 ARG 35 15.495 18.969 13.240 950 HE ARG 35 HE ARG 35 13.917 17.958 11.065 951 1HH1 ARG 35 HH21 ARG 35 15.379 20.780 12.433 952 2HH1 ARG 35 HH22 ARG 35 14.216 21.874 11.762 953 1HH2 ARG 35 HH11 ARG 35 12.383 19.385 10.191 954 2HH2 ARG 35 HH12 ARG 35 12.530 21.084 10.486 955 H SER 36 HN SER 36 20.372 20.458 13.116 956 HA SER 36 HA SER 36 19.169 22.843 12.167 957 1HB SER 36 HB2 SER 36 20.108 22.653 14.441 958 2HB SER 36 HB1 SER 36 21.724 22.525 13.755 959 HG SER 36 HG SER 36 19.920 24.703 13.645 960 H VAL 37 HN VAL 37 22.329 21.343 11.543 961 HA VAL 37 HA VAL 37 23.305 23.490 9.916 962 HB VAL 37 HB VAL 37 24.050 20.561 9.825 963 1HG1 VAL 37 HG11 VAL 37 24.849 21.623 7.836 964 2HG1 VAL 37 HG12 VAL 37 26.223 21.464 8.924 965 3HG1 VAL 37 HG13 VAL 37 25.421 23.027 8.741 966 1HG2 VAL 37 HG21 VAL 37 25.122 22.898 11.438 967 2HG2 VAL 37 HG22 VAL 37 25.983 21.371 11.259 968 3HG2 VAL 37 HG23 VAL 37 24.418 21.407 12.059 969 H VAL 38 HN VAL 38 22.291 20.222 8.843 970 HA VAL 38 HA VAL 38 22.143 20.735 6.140 971 HB VAL 38 HB VAL 38 20.519 18.930 5.964 972 1HG1 VAL 38 HG11 VAL 38 22.555 18.401 8.151 973 2HG1 VAL 38 HG12 VAL 38 22.923 18.455 6.426 974 3HG1 VAL 38 HG13 VAL 38 21.848 17.211 7.058 975 1HG2 VAL 38 HG21 VAL 38 18.942 19.291 7.700 976 2HG2 VAL 38 HG22 VAL 38 20.203 19.494 8.912 977 3HG2 VAL 38 HG23 VAL 38 19.839 17.890 8.284 978 H SER 39 HN SER 39 19.503 21.196 8.505 979 HA SER 39 HA SER 39 17.497 22.069 6.824 980 1HB SER 39 HB2 SER 39 16.719 23.486 8.760 981 2HB SER 39 HB1 SER 39 17.076 21.810 9.173 982 HG SER 39 HG SER 39 18.653 24.119 9.614 983 H THR 40 HN THR 40 19.748 24.303 8.491 984 HA THR 40 HA THR 40 19.033 26.541 6.832 985 HB THR 40 HB THR 40 21.337 26.184 8.755 986 HG1 THR 40 HG1 THR 40 18.995 27.689 9.165 987 1HG2 THR 40 HG21 THR 40 20.225 28.593 7.285 988 2HG2 THR 40 HG22 THR 40 21.891 28.012 7.317 989 3HG2 THR 40 HG23 THR 40 21.183 28.741 8.758 990 H LEU 41 HN LEU 41 21.821 24.388 7.060 991 HA LEU 41 HA LEU 41 23.489 25.602 5.169 992 1HB LEU 41 HB2 LEU 41 24.253 23.814 6.697 993 2HB LEU 41 HB1 LEU 41 23.249 22.667 5.838 994 HG LEU 41 HG LEU 41 24.527 22.940 3.828 995 1HD1 LEU 41 HD11 LEU 41 25.939 25.095 5.395 996 2HD1 LEU 41 HD12 LEU 41 25.311 25.162 3.750 997 3HD1 LEU 41 HD13 LEU 41 26.787 24.263 4.088 998 1HD2 LEU 41 HD21 LEU 41 26.308 22.461 6.205 999 2HD2 LEU 41 HD22 LEU 41 26.634 21.948 4.557 1000 3HD2 LEU 41 HD23 LEU 41 25.267 21.262 5.433 1001 H VAL 42 HN VAL 42 20.798 23.381 4.752 1002 HA VAL 42 HA VAL 42 21.267 22.928 1.933 1003 HB VAL 42 HB VAL 42 18.874 22.401 3.731 1004 1HG1 VAL 42 HG11 VAL 42 19.221 21.946 0.764 1005 2HG1 VAL 42 HG12 VAL 42 17.828 22.596 1.626 1006 3HG1 VAL 42 HG13 VAL 42 18.191 20.874 1.715 1007 1HG2 VAL 42 HG21 VAL 42 21.202 21.070 3.807 1008 2HG2 VAL 42 HG22 VAL 42 20.571 20.312 2.352 1009 3HG2 VAL 42 HG23 VAL 42 19.677 20.180 3.862 1010 H GLN 43 HN GLN 43 20.353 25.617 3.605 1011 HA GLN 43 HA GLN 43 19.265 26.888 1.231 1012 1HB GLN 43 HB2 GLN 43 17.212 27.623 2.340 1013 2HB GLN 43 HB1 GLN 43 17.291 25.866 2.293 1014 1HG GLN 43 HG2 GLN 43 16.793 26.009 4.529 1015 2HG GLN 43 HG1 GLN 43 18.511 26.323 4.682 1016 1HE2 GLN 43 HE21 GLN 43 18.952 28.149 5.936 1017 2HE2 GLN 43 HE22 GLN 43 17.913 29.481 6.103 1018 H ASP 44 HN ASP 44 21.691 27.230 2.628 1019 HA ASP 44 HA ASP 44 21.361 29.747 4.164 1020 1HB ASP 44 HB2 ASP 44 22.823 27.931 5.089 1021 2HB ASP 44 HB1 ASP 44 23.877 28.121 3.688 1022 H GLN 45 HN GLN 45 23.523 28.476 1.619 1023 HA GLN 45 HA GLN 45 23.694 31.213 0.459 1024 1HB GLN 45 HB2 GLN 45 25.851 30.405 -0.507 1025 2HB GLN 45 HB1 GLN 45 25.849 30.467 1.255 1026 1HG GLN 45 HG2 GLN 45 25.370 28.051 1.347 1027 2HG GLN 45 HG1 GLN 45 25.359 27.978 -0.414 1028 1HE2 GLN 45 HE21 GLN 45 27.267 26.687 1.587 1029 2HE2 GLN 45 HE22 GLN 45 28.807 27.203 1.093 1030 H LEU 46 HN LEU 46 23.127 27.800 -0.183 1031 HA LEU 46 HA LEU 46 22.468 26.667 -2.059 1032 1HB LEU 46 HB2 LEU 46 20.552 28.414 -1.392 1033 2HB LEU 46 HB1 LEU 46 20.931 29.119 -2.959 1034 HG LEU 46 HG LEU 46 20.110 26.239 -2.435 1035 1HD1 LEU 46 HD11 LEU 46 18.687 28.537 -3.812 1036 2HD1 LEU 46 HD12 LEU 46 18.269 27.856 -2.240 1037 3HD1 LEU 46 HD13 LEU 46 18.082 26.884 -3.699 1038 1HD2 LEU 46 HD21 LEU 46 20.000 26.157 -4.974 1039 2HD2 LEU 46 HD22 LEU 46 21.631 26.256 -4.312 1040 3HD2 LEU 46 HD23 LEU 46 20.868 27.694 -4.992 1041 H THR 47 HN THR 47 24.812 27.003 -2.691 1042 HA THR 47 HA THR 47 25.176 28.765 -5.026 1043 HB THR 47 HB THR 47 26.968 28.890 -3.429 1044 HG1 THR 47 HG1 THR 47 27.395 27.537 -5.820 1045 1HG2 THR 47 HG21 THR 47 26.575 26.786 -2.235 1046 2HG2 THR 47 HG22 THR 47 28.248 26.856 -2.783 1047 3HG2 THR 47 HG23 THR 47 27.077 25.867 -3.654 1048 H LYS 48 HN LYS 48 24.753 25.444 -4.148 1049 HA LYS 48 HA LYS 48 24.179 24.587 -6.747 1050 1HB LYS 48 HB2 LYS 48 26.568 24.910 -7.225 1051 2HB LYS 48 HB1 LYS 48 26.992 23.930 -5.840 1052 1HG LYS 48 HG2 LYS 48 27.209 22.663 -7.909 1053 2HG LYS 48 HG1 LYS 48 25.945 21.974 -6.911 1054 1HD LYS 48 HD2 LYS 48 24.202 22.872 -8.280 1055 2HD LYS 48 HD1 LYS 48 25.306 24.001 -9.075 1056 1HE LYS 48 HE2 LYS 48 25.455 20.981 -9.311 1057 2HE LYS 48 HE1 LYS 48 24.714 22.046 -10.507 1058 1HZ LYS 48 HZ1 LYS 48 27.316 21.328 -10.470 1059 2HZ LYS 48 HZ2 LYS 48 27.360 22.850 -9.718 1060 3HZ LYS 48 HZ3 LYS 48 26.694 22.687 -11.271 1061 H ASN 49 HN ASN 49 23.257 22.558 -6.713 1062 HA ASN 49 HA ASN 49 22.568 21.404 -4.235 1063 1HB ASN 49 HB2 ASN 49 22.473 20.254 -7.032 1064 2HB ASN 49 HB1 ASN 49 21.742 19.487 -5.622 1065 1HD2 ASN 49 HD21 ASN 49 20.905 22.076 -4.397 1066 2HD2 ASN 49 HD22 ASN 49 19.610 22.635 -5.339 1067 H ALA 50 HN ALA 50 24.968 20.453 -6.675 1068 HA ALA 50 HA ALA 50 25.850 18.090 -5.431 1069 1HB ALA 50 HB1 ALA 50 27.855 18.306 -6.782 1070 2HB ALA 50 HB2 ALA 50 27.520 20.013 -7.062 1071 3HB ALA 50 HB3 ALA 50 26.458 18.784 -7.749 1072 H VAL 51 HN VAL 51 26.879 21.459 -4.992 1073 HA VAL 51 HA VAL 51 29.106 20.971 -3.332 1074 HB VAL 51 HB VAL 51 27.175 23.284 -3.586 1075 1HG1 VAL 51 HG11 VAL 51 29.390 22.993 -1.546 1076 2HG1 VAL 51 HG12 VAL 51 27.728 23.519 -1.282 1077 3HG1 VAL 51 HG13 VAL 51 28.864 24.582 -2.112 1078 1HG2 VAL 51 HG21 VAL 51 29.032 24.399 -4.620 1079 2HG2 VAL 51 HG22 VAL 51 29.002 22.772 -5.303 1080 3HG2 VAL 51 HG23 VAL 51 30.169 23.178 -4.045 1081 H VAL 52 HN VAL 52 25.838 21.938 -2.219 1082 HA VAL 52 HA VAL 52 26.272 21.455 0.474 1083 HB VAL 52 HB VAL 52 23.772 21.168 0.627 1084 1HG1 VAL 52 HG11 VAL 52 23.261 23.431 -0.214 1085 2HG1 VAL 52 HG12 VAL 52 24.772 23.444 -1.122 1086 3HG1 VAL 52 HG13 VAL 52 24.801 23.412 0.643 1087 1HG2 VAL 52 HG21 VAL 52 23.459 20.004 -1.525 1088 2HG2 VAL 52 HG22 VAL 52 24.003 21.452 -2.370 1089 3HG2 VAL 52 HG23 VAL 52 22.495 21.481 -1.467 1090 H LEU 53 HN LEU 53 25.476 19.215 -2.106 1091 HA LEU 53 HA LEU 53 24.674 17.023 -0.588 1092 1HB LEU 53 HB2 LEU 53 24.904 17.419 -3.230 1093 2HB LEU 53 HB1 LEU 53 26.414 16.555 -3.008 1094 HG LEU 53 HG LEU 53 24.711 14.947 -3.588 1095 1HD1 LEU 53 HD11 LEU 53 25.080 14.701 -0.603 1096 2HD1 LEU 53 HD12 LEU 53 26.399 14.428 -1.740 1097 3HD1 LEU 53 HD13 LEU 53 24.959 13.407 -1.789 1098 1HD2 LEU 53 HD21 LEU 53 22.551 14.955 -2.834 1099 2HD2 LEU 53 HD22 LEU 53 22.870 16.625 -2.377 1100 3HD2 LEU 53 HD23 LEU 53 23.001 15.345 -1.176 1101 H LYS 54 HN LYS 54 27.962 17.523 -1.913 1102 HA LYS 54 HA LYS 54 29.212 15.454 -0.503 1103 1HB LYS 54 HB2 LYS 54 31.339 16.849 -0.820 1104 2HB LYS 54 HB1 LYS 54 30.427 16.492 -2.288 1105 1HG LYS 54 HG2 LYS 54 29.391 18.658 -2.233 1106 2HG LYS 54 HG1 LYS 54 30.117 19.025 -0.680 1107 1HD LYS 54 HD2 LYS 54 31.274 20.183 -2.465 1108 2HD LYS 54 HD1 LYS 54 32.335 18.995 -1.713 1109 1HE LYS 54 HE2 LYS 54 30.741 18.226 -4.161 1110 2HE LYS 54 HE1 LYS 54 32.253 19.118 -4.328 1111 1HZ LYS 54 HZ1 LYS 54 31.850 16.381 -3.692 1112 2HZ LYS 54 HZ2 LYS 54 32.792 17.146 -2.502 1113 3HZ LYS 54 HZ3 LYS 54 33.276 17.187 -4.131 1114 H ARG 55 HN ARG 55 28.440 18.739 0.498 1115 HA ARG 55 HA ARG 55 29.959 18.769 2.885 1116 1HB ARG 55 HB2 ARG 55 27.500 20.280 2.030 1117 2HB ARG 55 HB1 ARG 55 28.289 20.588 3.560 1118 1HG ARG 55 HG2 ARG 55 29.955 20.651 1.034 1119 2HG ARG 55 HG1 ARG 55 28.930 22.034 1.408 1120 1HD ARG 55 HD2 ARG 55 30.016 22.352 3.540 1121 2HD ARG 55 HD1 ARG 55 30.938 20.864 3.360 1122 HE ARG 55 HE ARG 55 31.572 22.458 1.163 1123 1HH1 ARG 55 HH21 ARG 55 31.738 22.571 4.618 1124 2HH1 ARG 55 HH22 ARG 55 33.153 23.568 4.658 1125 1HH2 ARG 55 HH11 ARG 55 33.434 23.766 1.208 1126 2HH2 ARG 55 HH12 ARG 55 34.115 24.245 2.727 1127 H ILE 56 HN ILE 56 26.661 17.724 2.144 1128 HA ILE 56 HA ILE 56 25.871 17.238 4.837 1129 HB ILE 56 HB ILE 56 24.874 16.177 2.181 1130 1HG1 ILE 56 HG12 ILE 56 23.558 18.141 4.090 1131 2HG1 ILE 56 HG11 ILE 56 24.622 18.660 2.797 1132 1HG2 ILE 56 HG21 ILE 56 23.799 15.746 4.984 1133 2HG2 ILE 56 HG22 ILE 56 24.179 14.524 3.773 1134 3HG2 ILE 56 HG23 ILE 56 22.782 15.569 3.554 1135 1HD1 ILE 56 HD11 ILE 56 22.292 18.723 2.056 1136 2HD1 ILE 56 HD12 ILE 56 22.117 17.016 2.451 1137 3HD1 ILE 56 HD13 ILE 56 23.194 17.517 1.159 1138 H GLN 57 HN GLN 57 27.042 15.074 2.249 1139 HA GLN 57 HA GLN 57 26.993 12.692 3.691 1140 1HB GLN 57 HB2 GLN 57 28.878 13.595 1.496 1141 2HB GLN 57 HB1 GLN 57 28.775 11.938 2.091 1142 1HG GLN 57 HG2 GLN 57 26.360 11.909 1.503 1143 2HG GLN 57 HG1 GLN 57 26.531 13.531 0.839 1144 1HE2 GLN 57 HE21 GLN 57 25.688 11.838 -1.046 1145 2HE2 GLN 57 HE22 GLN 57 26.942 11.314 -2.062 1146 H HIS 58 HN HIS 58 29.424 15.252 3.537 1147 HA HIS 58 HA HIS 58 31.397 13.862 5.045 1148 1HB HIS 58 HB2 HIS 58 31.766 15.880 3.511 1149 2HB HIS 58 HB1 HIS 58 31.124 16.876 4.816 1150 HD1 HIS 58 HD1 HIS 58 34.023 14.604 3.980 1151 HD2 HIS 58 HD2 HIS 58 32.880 17.232 7.006 1152 HE1 HIS 58 HE1 HIS 58 36.047 14.902 5.472 1153 HE2 HIS 58 HE2 HIS 58 35.370 16.506 7.315 1154 H LEU 59 HN LEU 59 28.872 16.219 5.868 1155 HA LEU 59 HA LEU 59 29.531 16.627 8.543 1156 1HB LEU 59 HB2 LEU 59 27.754 17.870 7.271 1157 2HB LEU 59 HB1 LEU 59 26.725 16.449 7.413 1158 HG LEU 59 HG LEU 59 26.907 16.619 9.912 1159 1HD1 LEU 59 HD11 LEU 59 27.646 19.067 10.635 1160 2HD1 LEU 59 HD12 LEU 59 28.636 18.976 9.181 1161 3HD1 LEU 59 HD13 LEU 59 28.836 17.785 10.466 1162 1HD2 LEU 59 HD21 LEU 59 25.382 18.519 10.114 1163 2HD2 LEU 59 HD22 LEU 59 25.003 17.574 8.674 1164 3HD2 LEU 59 HD23 LEU 59 25.878 19.099 8.523 1165 H ASP 60 HN ASP 60 28.060 13.886 6.989 1166 HA ASP 60 HA ASP 60 26.772 12.642 9.113 1167 1HB ASP 60 HB2 ASP 60 26.839 11.875 6.690 1168 2HB ASP 60 HB1 ASP 60 28.424 11.183 7.029 1169 H GLU 61 HN GLU 61 30.211 12.767 8.330 1170 HA GLU 61 HA GLU 61 31.142 10.811 10.105 1171 1HB GLU 61 HB2 GLU 61 33.301 11.693 9.722 1172 2HB GLU 61 HB1 GLU 61 32.416 12.196 8.284 1173 1HG GLU 61 HG2 GLU 61 31.938 14.401 9.560 1174 2HG GLU 61 HG1 GLU 61 33.176 13.880 10.695 1175 H ALA 62 HN ALA 62 30.091 14.101 10.648 1176 HA ALA 62 HA ALA 62 31.198 14.362 13.258 1177 1HB ALA 62 HB1 ALA 62 30.505 16.287 11.814 1178 2HB ALA 62 HB2 ALA 62 29.844 16.351 13.449 1179 3HB ALA 62 HB3 ALA 62 28.827 15.833 12.104 1180 H TYR 63 HN TYR 63 27.822 13.868 12.193 1181 HA TYR 63 HA TYR 63 26.678 13.463 14.675 1182 1HB TYR 63 HB2 TYR 63 24.852 13.236 13.294 1183 2HB TYR 63 HB1 TYR 63 25.921 13.052 11.904 1184 HD1 TYR 63 HD2 TYR 63 24.303 11.196 14.700 1185 HD2 TYR 63 HD1 TYR 63 26.188 10.911 10.859 1186 HE1 TYR 63 HE2 TYR 63 23.709 8.789 14.591 1187 HE2 TYR 63 HE1 TYR 63 25.600 8.504 10.748 1188 HH TYR 63 HH TYR 63 24.289 6.809 13.496 1189 H ASN 64 HN ASN 64 28.415 11.154 12.630 1190 HA ASN 64 HA ASN 64 27.921 8.859 14.248 1191 1HB ASN 64 HB2 ASN 64 28.554 8.681 11.885 1192 2HB ASN 64 HB1 ASN 64 30.125 9.397 12.248 1193 1HD2 ASN 64 HD21 ASN 64 28.691 6.442 11.742 1194 2HD2 ASN 64 HD22 ASN 64 29.738 5.467 12.656 1195 H LYS 65 HN LYS 65 30.441 11.319 14.164 1196 HA LYS 65 HA LYS 65 32.250 10.032 15.926 1197 1HB LYS 65 HB2 LYS 65 31.857 12.871 15.009 1198 2HB LYS 65 HB1 LYS 65 33.032 12.526 16.271 1199 1HG LYS 65 HG2 LYS 65 33.117 10.864 13.737 1200 2HG LYS 65 HG1 LYS 65 33.762 12.501 13.686 1201 1HD LYS 65 HD2 LYS 65 35.264 11.977 15.573 1202 2HD LYS 65 HD1 LYS 65 34.611 10.339 15.643 1203 1HE LYS 65 HE2 LYS 65 35.934 11.529 13.189 1204 2HE LYS 65 HE1 LYS 65 36.766 10.507 14.362 1205 1HZ LYS 65 HZ1 LYS 65 34.846 8.892 13.940 1206 2HZ LYS 65 HZ2 LYS 65 36.055 9.022 12.754 1207 3HZ LYS 65 HZ3 LYS 65 34.560 9.801 12.537 1208 H VAL 66 HN VAL 66 29.473 12.129 16.450 1209 HA VAL 66 HA VAL 66 29.887 12.768 19.153 1210 HB VAL 66 HB VAL 66 27.293 12.316 17.612 1211 1HG1 VAL 66 HG11 VAL 66 26.295 13.747 19.473 1212 2HG1 VAL 66 HG12 VAL 66 27.767 13.425 20.391 1213 3HG1 VAL 66 HG13 VAL 66 26.707 12.095 19.929 1214 1HG2 VAL 66 HG21 VAL 66 28.904 14.782 18.336 1215 2HG2 VAL 66 HG22 VAL 66 27.278 14.827 17.658 1216 3HG2 VAL 66 HG23 VAL 66 28.602 14.142 16.722 1217 H LYS 67 HN LYS 67 28.030 10.041 17.764 1218 HA LYS 67 HA LYS 67 27.537 8.803 20.280 1219 1HB LYS 67 HB2 LYS 67 27.502 7.599 17.515 1220 2HB LYS 67 HB1 LYS 67 26.782 6.915 18.967 1221 1HG LYS 67 HG2 LYS 67 25.516 9.259 19.106 1222 2HG LYS 67 HG1 LYS 67 25.933 9.340 17.394 1223 1HD LYS 67 HD2 LYS 67 24.373 7.134 18.748 1224 2HD LYS 67 HD1 LYS 67 23.702 8.378 17.698 1225 1HE LYS 67 HE2 LYS 67 25.316 7.517 15.885 1226 2HE LYS 67 HE1 LYS 67 25.585 6.128 16.938 1227 1HZ LYS 67 HZ1 LYS 67 22.947 7.020 15.907 1228 2HZ LYS 67 HZ2 LYS 67 23.224 5.661 16.889 1229 3HZ LYS 67 HZ3 LYS 67 23.844 5.711 15.308 1230 H ARG 68 HN ARG 68 29.955 8.387 17.781 1231 HA ARG 68 HA ARG 68 31.190 6.049 18.347 1232 1HB ARG 68 HB2 ARG 68 31.891 7.825 16.668 1233 2HB ARG 68 HB1 ARG 68 32.737 8.631 17.985 1234 1HG ARG 68 HG2 ARG 68 34.480 7.307 17.181 1235 2HG ARG 68 HG1 ARG 68 33.785 6.164 18.325 1236 1HD ARG 68 HD2 ARG 68 32.389 5.246 16.426 1237 2HD ARG 68 HD1 ARG 68 33.290 6.296 15.337 1238 HE ARG 68 HE ARG 68 35.059 4.681 16.899 1239 1HH1 ARG 68 HH21 ARG 68 32.866 4.669 14.222 1240 2HH1 ARG 68 HH22 ARG 68 33.653 3.361 13.405 1241 1HH2 ARG 68 HH11 ARG 68 36.095 2.960 15.833 1242 2HH2 ARG 68 HH12 ARG 68 35.480 2.393 14.317 1243 H GLY 69 HN GLY 69 31.256 8.965 20.273 1244 1HA GLY 69 HA2 GLY 69 33.214 7.941 22.152 1245 2HA GLY 69 HA1 GLY 69 32.362 9.480 22.219 1246 H GLU 70 HN GLU 70 29.736 8.682 22.076 1247 HA GLU 70 HA GLU 70 29.204 7.953 24.753 1248 1HB GLU 70 HB2 GLU 70 27.277 7.853 22.421 1249 2HB GLU 70 HB1 GLU 70 26.880 8.032 24.126 1250 1HG GLU 70 HG2 GLU 70 28.531 10.023 22.555 1251 2HG GLU 70 HG1 GLU 70 26.817 10.201 22.867 1252 H SER 71 HN SER 71 28.185 6.067 25.559 1253 HA SER 71 HA SER 71 27.832 3.716 23.944 1254 1HB SER 71 HB2 SER 71 30.331 3.814 24.134 1255 2HB SER 71 HB1 SER 71 30.160 3.695 25.883 1256 HG SER 71 HG SER 71 30.470 1.652 24.857 1257 H LYS 72 HN LYS 72 26.306 5.253 25.821 1258 HA LYS 72 HA LYS 72 24.849 4.951 27.579 1259 1HB LYS 72 HB2 LYS 72 25.623 2.030 27.330 1260 2HB LYS 72 HB1 LYS 72 24.217 2.679 28.164 1261 1HG LYS 72 HG2 LYS 72 23.265 3.503 26.111 1262 2HG LYS 72 HG1 LYS 72 24.744 3.151 25.220 1263 1HD LYS 72 HD2 LYS 72 23.086 1.417 24.764 1264 2HD LYS 72 HD1 LYS 72 24.428 0.727 25.674 1265 1HE LYS 72 HE2 LYS 72 23.153 0.621 27.679 1266 2HE LYS 72 HE1 LYS 72 21.935 1.742 27.065 1267 1HZ LYS 72 HZ1 LYS 72 21.293 -0.659 27.053 1268 2HZ LYS 72 HZ2 LYS 72 22.460 -0.910 25.844 1269 3HZ LYS 72 HZ3 LYS 72 21.145 0.128 25.558 1270 H LEU 73 HN LEU 73 27.867 3.141 27.964 1271 HA LEU 73 HA LEU 73 27.861 3.093 30.797 1272 1HB LEU 73 HB2 LEU 73 30.156 2.866 28.838 1273 2HB LEU 73 HB1 LEU 73 30.227 2.437 30.546 1274 HG LEU 73 HG LEU 73 28.344 1.174 28.530 1275 1HD1 LEU 73 HD11 LEU 73 30.702 0.631 28.071 1276 2HD1 LEU 73 HD12 LEU 73 29.837 -0.782 28.678 1277 3HD1 LEU 73 HD13 LEU 73 30.913 0.119 29.745 1278 1HD2 LEU 73 HD21 LEU 73 27.308 0.841 30.613 1279 2HD2 LEU 73 HD22 LEU 73 28.835 0.750 31.491 1280 3HD2 LEU 73 HD23 LEU 73 28.303 -0.602 30.489 1281 H GLU 74 HN GLU 74 29.028 5.350 28.407 1282 HA GLU 74 HA GLU 74 29.961 7.438 28.577 1283 1HB GLU 74 HB2 GLU 74 28.445 7.436 31.197 1284 2HB GLU 74 HB1 GLU 74 29.028 8.861 30.337 1285 1HG GLU 74 HG2 GLU 74 27.065 6.856 29.190 1286 2HG GLU 74 HG1 GLU 74 26.603 8.388 29.925 1287 H HIS 75 HN HIS 75 31.960 5.947 28.952 1288 HA HIS 75 HA HIS 75 33.121 5.738 31.515 1289 1HB HIS 75 HB2 HIS 75 34.450 5.853 28.794 1290 2HB HIS 75 HB1 HIS 75 35.232 5.334 30.288 1291 HD1 HIS 75 HD1 HIS 75 33.897 3.255 31.540 1292 HD2 HIS 75 HD2 HIS 75 33.209 3.774 27.461 1293 HE1 HIS 75 HE1 HIS 75 32.922 1.076 30.696 1294 HE2 HIS 75 HE2 HIS 75 32.497 1.376 28.210 1295 H HIS 76 HN HIS 76 32.697 7.841 32.424 1296 HA HIS 76 HA HIS 76 33.755 10.243 31.370 1297 1HB HIS 76 HB2 HIS 76 33.093 9.453 34.221 1298 2HB HIS 76 HB1 HIS 76 33.475 11.096 33.706 1299 HD1 HIS 76 HD1 HIS 76 30.744 8.603 33.778 1300 HD2 HIS 76 HD2 HIS 76 31.509 12.222 31.858 1301 HE1 HIS 76 HE1 HIS 76 28.532 9.391 32.828 1302 HE2 HIS 76 HE2 HIS 76 28.982 11.598 31.655 1303 H HIS 77 HN HIS 77 35.032 7.909 33.726 1304 HA HIS 77 HA HIS 77 37.123 7.679 34.669 1305 1HB HIS 77 HB2 HIS 77 37.825 8.513 31.839 1306 2HB HIS 77 HB1 HIS 77 38.996 7.878 32.994 1307 HD1 HIS 77 HD1 HIS 77 38.949 6.032 30.823 1308 HD2 HIS 77 HD2 HIS 77 35.860 5.917 33.620 1309 HE1 HIS 77 HE1 HIS 77 37.883 3.743 30.619 1310 HE2 HIS 77 HE2 HIS 77 35.999 3.657 32.319 1311 H HIS 78 HN HIS 78 38.382 10.142 32.546 1312 HA HIS 78 HA HIS 78 39.511 12.096 33.027 1313 1HB HIS 78 HB2 HIS 78 37.158 12.856 33.119 1314 2HB HIS 78 HB1 HIS 78 37.117 12.486 34.842 1315 HD1 HIS 78 HD1 HIS 78 39.004 14.709 32.395 1316 HD2 HIS 78 HD2 HIS 78 38.114 14.514 36.463 1317 HE1 HIS 78 HE1 HIS 78 39.865 16.859 33.421 1318 HE2 HIS 78 HE2 HIS 78 39.329 16.755 35.901 1319 H HIS 79 HN HIS 79 41.119 10.637 34.145 1320 HA HIS 79 HA HIS 79 42.524 10.167 35.903 1321 1HB HIS 79 HB2 HIS 79 41.488 12.870 36.795 1322 2HB HIS 79 HB1 HIS 79 42.882 12.048 37.495 1323 HD1 HIS 79 HD1 HIS 79 44.859 11.467 35.714 1324 HD2 HIS 79 HD2 HIS 79 42.095 14.349 34.519 1325 HE1 HIS 79 HE1 HIS 79 45.920 12.721 33.786 1326 HE2 HIS 79 HE2 HIS 79 44.247 14.481 33.046 1327 H HIS 80 HN HIS 80 41.114 8.386 36.525 1328 HA HIS 80 HA HIS 80 39.098 8.697 38.525 1329 1HB HIS 80 HB2 HIS 80 39.256 6.217 38.697 1330 2HB HIS 80 HB1 HIS 80 39.058 6.779 37.039 1331 HD1 HIS 80 HD1 HIS 80 42.403 7.599 37.920 1332 HD2 HIS 80 HD2 HIS 80 40.507 4.056 36.810 1333 HE1 HIS 80 HE1 HIS 80 44.228 6.022 37.147 1334 HE2 HIS 80 HE2 HIS 80 43.089 3.857 36.467 Start of MODEL 9 1 1H MET 1 HT1 MET 1 0.309 -0.519 -5.111 2 2H MET 1 HT2 MET 1 0.376 -2.217 -5.095 3 3H MET 1 HT3 MET 1 1.790 -1.312 -5.355 4 HA MET 1 HA MET 1 0.518 -2.059 -2.892 5 1HB MET 1 HB2 MET 1 3.232 -0.935 -3.649 6 2HB MET 1 HB1 MET 1 2.816 -1.585 -2.066 7 1HG MET 1 HG2 MET 1 2.590 -3.165 -4.645 8 2HG MET 1 HG1 MET 1 3.991 -3.234 -3.581 9 1HE MET 1 HE1 MET 1 4.271 -4.772 -1.737 10 2HE MET 1 HE2 MET 1 3.017 -5.172 -0.565 11 3HE MET 1 HE3 MET 1 3.476 -3.492 -0.811 12 H SER 2 HN SER 2 -1.116 -0.440 -2.625 13 HA SER 2 HA SER 2 -1.974 1.564 -1.895 14 1HB SER 2 HB2 SER 2 -0.557 0.938 0.054 15 2HB SER 2 HB1 SER 2 0.771 1.853 -0.654 16 HG SER 2 HG SER 2 -1.302 2.730 0.792 17 H GLU 3 HN GLU 3 -0.426 3.985 -1.343 18 HA GLU 3 HA GLU 3 0.877 4.759 -3.812 19 1HB GLU 3 HB2 GLU 3 -1.565 4.883 -4.376 20 2HB GLU 3 HB1 GLU 3 -1.750 6.082 -3.096 21 1HG GLU 3 HG2 GLU 3 -0.131 7.556 -4.209 22 2HG GLU 3 HG1 GLU 3 0.124 6.348 -5.467 23 H LEU 4 HN LEU 4 2.565 5.294 -2.468 24 HA LEU 4 HA LEU 4 2.191 7.271 -0.349 25 1HB LEU 4 HB2 LEU 4 4.551 6.956 0.059 26 2HB LEU 4 HB1 LEU 4 3.741 5.400 -0.064 27 HG LEU 4 HG LEU 4 4.517 5.913 -2.728 28 1HD1 LEU 4 HD11 LEU 4 6.892 6.484 -2.655 29 2HD1 LEU 4 HD12 LEU 4 6.816 6.679 -0.903 30 3HD1 LEU 4 HD13 LEU 4 5.942 7.792 -1.955 31 1HD2 LEU 4 HD21 LEU 4 4.665 3.732 -1.622 32 2HD2 LEU 4 HD22 LEU 4 5.978 4.310 -0.598 33 3HD2 LEU 4 HD23 LEU 4 6.225 4.141 -2.336 34 H PHE 5 HN PHE 5 2.182 7.524 -3.564 35 HA PHE 5 HA PHE 5 4.139 9.379 -4.268 36 1HB PHE 5 HB2 PHE 5 2.612 8.279 -5.881 37 2HB PHE 5 HB1 PHE 5 1.277 9.248 -5.262 38 HD1 PHE 5 HD1 PHE 5 4.508 9.356 -7.076 39 HD2 PHE 5 HD2 PHE 5 1.063 11.602 -5.832 40 HE1 PHE 5 HE1 PHE 5 5.169 11.208 -8.587 41 HE2 PHE 5 HE2 PHE 5 1.725 13.453 -7.345 42 HZ PHE 5 HZ PHE 5 3.778 13.256 -8.722 43 H SER 6 HN SER 6 0.920 9.877 -2.856 44 HA SER 6 HA SER 6 0.990 12.698 -2.890 45 1HB SER 6 HB2 SER 6 -1.059 12.550 -1.827 46 2HB SER 6 HB1 SER 6 -0.931 10.881 -2.350 47 HG SER 6 HG SER 6 -1.329 10.786 -0.194 48 H VAL 7 HN VAL 7 1.978 14.136 -1.592 49 HA VAL 7 HA VAL 7 3.934 13.315 0.283 50 HB VAL 7 HB VAL 7 2.815 16.109 0.324 51 1HG1 VAL 7 HG11 VAL 7 5.659 15.076 0.341 52 2HG1 VAL 7 HG12 VAL 7 4.712 15.458 1.778 53 3HG1 VAL 7 HG13 VAL 7 5.123 16.735 0.637 54 1HG2 VAL 7 HG21 VAL 7 2.827 15.688 -2.041 55 2HG2 VAL 7 HG22 VAL 7 4.381 14.860 -1.954 56 3HG2 VAL 7 HG23 VAL 7 4.288 16.604 -1.689 57 HA PRO 8 HA PRO 8 0.533 14.920 3.465 58 1HB PRO 8 HB2 PRO 8 -1.798 13.627 2.073 59 2HB PRO 8 HB1 PRO 8 -1.742 15.144 2.994 60 1HG PRO 8 HG2 PRO 8 -1.890 15.177 0.341 61 2HG PRO 8 HG1 PRO 8 -0.863 16.344 1.204 62 1HD PRO 8 HD2 PRO 8 -0.036 13.863 -0.264 63 2HD PRO 8 HD1 PRO 8 0.776 15.421 -0.214 64 H TYR 9 HN TYR 9 0.626 11.922 1.658 65 HA TYR 9 HA TYR 9 -0.435 10.179 3.596 66 1HB TYR 9 HB2 TYR 9 -0.105 9.442 1.307 67 2HB TYR 9 HB1 TYR 9 1.630 9.691 1.432 68 HD1 TYR 9 HD1 TYR 9 -1.134 7.910 3.247 69 HD2 TYR 9 HD2 TYR 9 2.954 7.787 1.925 70 HE1 TYR 9 HE1 TYR 9 -0.902 5.619 4.168 71 HE2 TYR 9 HE2 TYR 9 3.183 5.499 2.843 72 HH TYR 9 HH TYR 9 2.179 4.044 4.422 73 H PHE 10 HN PHE 10 2.850 11.386 3.049 74 HA PHE 10 HA PHE 10 4.167 9.786 4.954 75 1HB PHE 10 HB2 PHE 10 4.748 12.247 3.418 76 2HB PHE 10 HB1 PHE 10 5.603 12.168 4.951 77 HD1 PHE 10 HD1 PHE 10 4.594 9.488 2.519 78 HD2 PHE 10 HD2 PHE 10 7.828 11.513 4.480 79 HE1 PHE 10 HE1 PHE 10 6.204 7.890 1.520 80 HE2 PHE 10 HE2 PHE 10 9.434 9.915 3.483 81 HZ PHE 10 HZ PHE 10 8.631 8.108 2.006 82 H ILE 11 HN ILE 11 2.474 12.872 5.262 83 HA ILE 11 HA ILE 11 3.228 13.362 7.958 84 HB ILE 11 HB ILE 11 0.750 14.309 6.505 85 1HG1 ILE 11 HG12 ILE 11 3.516 15.560 6.651 86 2HG1 ILE 11 HG11 ILE 11 2.849 14.773 5.230 87 1HG2 ILE 11 HG21 ILE 11 0.848 14.648 9.008 88 2HG2 ILE 11 HG22 ILE 11 0.803 16.135 8.088 89 3HG2 ILE 11 HG23 ILE 11 2.328 15.574 8.766 90 1HD1 ILE 11 HD11 ILE 11 2.501 17.144 4.975 91 2HD1 ILE 11 HD12 ILE 11 1.804 17.266 6.589 92 3HD1 ILE 11 HD13 ILE 11 0.935 16.409 5.316 93 H GLU 12 HN GLU 12 0.370 11.861 6.476 94 HA GLU 12 HA GLU 12 -1.232 11.438 8.689 95 1HB GLU 12 HB2 GLU 12 -0.730 9.665 6.285 96 2HB GLU 12 HB1 GLU 12 -1.980 9.316 7.478 97 1HG GLU 12 HG2 GLU 12 -3.081 11.438 7.014 98 2HG GLU 12 HG1 GLU 12 -1.783 11.914 5.930 99 H ASN 13 HN ASN 13 1.814 9.947 7.936 100 HA ASN 13 HA ASN 13 1.536 7.694 9.703 101 1HB ASN 13 HB2 ASN 13 4.041 8.967 8.588 102 2HB ASN 13 HB1 ASN 13 3.918 7.369 9.318 103 1HD2 ASN 13 HD21 ASN 13 4.616 8.161 6.458 104 2HD2 ASN 13 HD22 ASN 13 3.513 7.298 5.499 105 H LEU 14 HN LEU 14 2.717 10.979 9.972 106 HA LEU 14 HA LEU 14 3.991 10.678 12.521 107 1HB LEU 14 HB2 LEU 14 2.946 13.255 11.326 108 2HB LEU 14 HB1 LEU 14 4.286 13.045 12.456 109 HG LEU 14 HG LEU 14 4.233 11.966 9.620 110 1HD1 LEU 14 HD11 LEU 14 4.305 14.476 9.789 111 2HD1 LEU 14 HD12 LEU 14 5.695 13.738 8.999 112 3HD1 LEU 14 HD13 LEU 14 5.835 14.306 10.654 113 1HD2 LEU 14 HD21 LEU 14 6.732 11.765 10.092 114 2HD2 LEU 14 HD22 LEU 14 5.700 10.607 10.913 115 3HD2 LEU 14 HD23 LEU 14 6.341 11.998 11.789 116 H LYS 15 HN LYS 15 0.796 11.657 11.414 117 HA LYS 15 HA LYS 15 -0.229 12.694 13.789 118 1HB LYS 15 HB2 LYS 15 -1.661 11.098 11.671 119 2HB LYS 15 HB1 LYS 15 -2.432 12.129 12.874 120 1HG LYS 15 HG2 LYS 15 -0.403 13.101 10.838 121 2HG LYS 15 HG1 LYS 15 -2.145 13.230 10.632 122 1HD LYS 15 HD2 LYS 15 -2.138 14.507 12.886 123 2HD LYS 15 HD1 LYS 15 -0.394 14.634 12.674 124 1HE LYS 15 HE2 LYS 15 -0.720 15.735 10.502 125 2HE LYS 15 HE1 LYS 15 -2.471 15.624 10.706 126 1HZ LYS 15 HZ1 LYS 15 -1.036 16.783 12.934 127 2HZ LYS 15 HZ2 LYS 15 -2.490 17.274 12.206 128 3HZ LYS 15 HZ3 LYS 15 -0.999 17.706 11.513 129 H GLN 16 HN GLN 16 -0.041 9.358 12.634 130 HA GLN 16 HA GLN 16 -1.479 8.218 14.814 131 1HB GLN 16 HB2 GLN 16 -1.159 7.057 12.665 132 2HB GLN 16 HB1 GLN 16 0.571 6.940 12.991 133 1HG GLN 16 HG2 GLN 16 0.188 5.552 14.930 134 2HG GLN 16 HG1 GLN 16 -1.549 5.817 14.839 135 1HE2 GLN 16 HE21 GLN 16 -0.410 3.181 14.769 136 2HE2 GLN 16 HE22 GLN 16 -0.697 2.525 13.230 137 H HIS 17 HN HIS 17 1.874 9.108 14.301 138 HA HIS 17 HA HIS 17 2.979 7.617 16.457 139 1HB HIS 17 HB2 HIS 17 3.967 10.180 15.174 140 2HB HIS 17 HB1 HIS 17 4.905 9.157 16.252 141 HD1 HIS 17 HD1 HIS 17 3.239 6.632 14.701 142 HD2 HIS 17 HD2 HIS 17 6.029 9.343 13.200 143 HE1 HIS 17 HE1 HIS 17 4.245 5.559 12.638 144 HE2 HIS 17 HE2 HIS 17 5.947 7.199 11.711 145 H ILE 18 HN ILE 18 1.984 11.030 16.213 146 HA ILE 18 HA ILE 18 2.459 11.592 18.979 147 HB ILE 18 HB ILE 18 1.244 13.703 18.517 148 1HG1 ILE 18 HG12 ILE 18 0.777 12.403 15.819 149 2HG1 ILE 18 HG11 ILE 18 -0.469 12.830 16.983 150 1HG2 ILE 18 HG21 ILE 18 3.126 12.987 16.243 151 2HG2 ILE 18 HG22 ILE 18 3.668 13.334 17.880 152 3HG2 ILE 18 HG23 ILE 18 2.863 14.583 16.950 153 1HD1 ILE 18 HD11 ILE 18 -0.491 14.596 15.400 154 2HD1 ILE 18 HD12 ILE 18 1.269 14.697 15.377 155 3HD1 ILE 18 HD13 ILE 18 0.373 15.241 16.797 156 H GLU 19 HN GLU 19 -0.389 10.712 17.087 157 HA GLU 19 HA GLU 19 -2.357 11.135 19.033 158 1HB GLU 19 HB2 GLU 19 -2.819 10.578 16.652 159 2HB GLU 19 HB1 GLU 19 -2.286 8.929 16.955 160 1HG GLU 19 HG2 GLU 19 -4.706 8.985 17.064 161 2HG GLU 19 HG1 GLU 19 -4.104 8.738 18.698 162 H MET 20 HN MET 20 -0.624 8.114 18.259 163 HA MET 20 HA MET 20 -1.271 7.098 20.986 164 1HB MET 20 HB2 MET 20 -0.707 5.560 18.435 165 2HB MET 20 HB1 MET 20 -1.039 4.846 20.013 166 1HG MET 20 HG2 MET 20 -3.241 6.067 20.017 167 2HG MET 20 HG1 MET 20 -2.914 6.551 18.353 168 1HE MET 20 HE1 MET 20 -3.275 5.256 16.370 169 2HE MET 20 HE2 MET 20 -3.256 3.502 16.227 170 3HE MET 20 HE3 MET 20 -1.793 4.349 16.710 171 H ASN 21 HN ASN 21 0.838 5.062 19.495 172 HA ASN 21 HA ASN 21 3.330 6.384 19.863 173 1HB ASN 21 HB2 ASN 21 2.625 6.236 22.241 174 2HB ASN 21 HB1 ASN 21 2.503 4.487 22.073 175 1HD2 ASN 21 HD21 ASN 21 4.251 4.085 23.593 176 2HD2 ASN 21 HD22 ASN 21 5.863 4.441 23.199 177 H GLN 22 HN GLN 22 2.796 5.080 17.719 178 HA GLN 22 HA GLN 22 3.189 2.240 17.817 179 1HB GLN 22 HB2 GLN 22 2.045 3.619 16.004 180 2HB GLN 22 HB1 GLN 22 3.654 3.987 15.407 181 1HG GLN 22 HG2 GLN 22 2.934 2.056 14.172 182 2HG GLN 22 HG1 GLN 22 4.074 1.453 15.369 183 1HE2 GLN 22 HE21 GLN 22 0.550 2.257 15.448 184 2HE2 GLN 22 HE22 GLN 22 0.088 0.786 16.160 185 H SER 23 HN SER 23 5.150 3.193 19.322 186 HA SER 23 HA SER 23 7.376 2.786 19.698 187 1HB SER 23 HB2 SER 23 7.880 2.165 16.791 188 2HB SER 23 HB1 SER 23 8.614 1.461 18.224 189 HG SER 23 HG SER 23 7.178 -0.044 17.909 190 H GLU 24 HN GLU 24 6.696 5.313 19.602 191 HA GLU 24 HA GLU 24 8.999 6.609 18.426 192 1HB GLU 24 HB2 GLU 24 7.038 6.456 16.689 193 2HB GLU 24 HB1 GLU 24 6.316 7.741 17.632 194 1HG GLU 24 HG2 GLU 24 7.584 8.878 15.951 195 2HG GLU 24 HG1 GLU 24 8.571 8.983 17.408 196 H ASP 25 HN ASP 25 7.123 9.108 18.606 197 HA ASP 25 HA ASP 25 6.696 9.390 21.465 198 1HB ASP 25 HB2 ASP 25 8.929 10.861 20.039 199 2HB ASP 25 HB1 ASP 25 8.300 11.326 21.625 200 H LYS 26 HN LYS 26 6.603 12.074 21.699 201 HA LYS 26 HA LYS 26 4.268 12.734 20.093 202 1HB LYS 26 HB2 LYS 26 4.451 13.250 22.527 203 2HB LYS 26 HB1 LYS 26 5.700 14.426 22.153 204 1HG LYS 26 HG2 LYS 26 4.111 15.668 20.720 205 2HG LYS 26 HG1 LYS 26 2.872 14.457 21.036 206 1HD LYS 26 HD2 LYS 26 3.017 14.993 23.465 207 2HD LYS 26 HD1 LYS 26 4.195 16.254 23.095 208 1HE LYS 26 HE2 LYS 26 1.367 16.130 22.013 209 2HE LYS 26 HE1 LYS 26 1.917 17.192 23.309 210 1HZ LYS 26 HZ1 LYS 26 3.636 17.982 21.630 211 2HZ LYS 26 HZ2 LYS 26 2.033 18.488 21.398 212 3HZ LYS 26 HZ3 LYS 26 2.674 17.230 20.452 213 H ILE 27 HN ILE 27 6.222 15.432 20.855 214 HA ILE 27 HA ILE 27 6.315 16.331 18.168 215 HB ILE 27 HB ILE 27 6.281 17.827 20.099 216 1HG1 ILE 27 HG12 ILE 27 8.921 18.394 18.742 217 2HG1 ILE 27 HG11 ILE 27 7.476 18.322 17.745 218 1HG2 ILE 27 HG21 ILE 27 7.793 16.373 21.511 219 2HG2 ILE 27 HG22 ILE 27 8.196 18.089 21.545 220 3HG2 ILE 27 HG23 ILE 27 9.154 16.981 20.566 221 1HD1 ILE 27 HD11 ILE 27 8.226 20.607 18.789 222 2HD1 ILE 27 HD12 ILE 27 7.447 19.996 20.241 223 3HD1 ILE 27 HD13 ILE 27 6.511 20.180 18.751 224 H HIS 28 HN HIS 28 8.545 14.539 20.193 225 HA HIS 28 HA HIS 28 10.838 14.892 18.525 226 1HB HIS 28 HB2 HIS 28 10.128 12.809 20.604 227 2HB HIS 28 HB1 HIS 28 11.698 12.906 19.811 228 HD1 HIS 28 HD1 HIS 28 9.435 14.844 22.143 229 HD2 HIS 28 HD2 HIS 28 13.372 14.947 20.775 230 HE1 HIS 28 HE1 HIS 28 10.641 16.561 23.561 231 HE2 HIS 28 HE2 HIS 28 13.043 16.636 22.739 232 H ALA 29 HN ALA 29 8.051 13.692 17.583 233 HA ALA 29 HA ALA 29 8.826 11.158 16.414 234 1HB ALA 29 HB1 ALA 29 6.490 11.671 17.074 235 2HB ALA 29 HB2 ALA 29 6.630 11.198 15.383 236 3HB ALA 29 HB3 ALA 29 6.423 12.896 15.812 237 H MET 30 HN MET 30 8.281 14.461 15.246 238 HA MET 30 HA MET 30 8.759 13.959 12.518 239 1HB MET 30 HB2 MET 30 9.476 16.544 12.678 240 2HB MET 30 HB1 MET 30 7.790 16.055 12.831 241 1HG MET 30 HG2 MET 30 7.816 16.261 15.186 242 2HG MET 30 HG1 MET 30 9.573 16.203 15.263 243 1HE MET 30 HE1 MET 30 11.009 18.020 13.801 244 2HE MET 30 HE2 MET 30 11.000 18.151 15.559 245 3HE MET 30 HE3 MET 30 10.849 19.604 14.572 246 H ASN 31 HN ASN 31 10.952 15.153 15.094 247 HA ASN 31 HA ASN 31 13.242 15.445 13.544 248 1HB ASN 31 HB2 ASN 31 13.060 16.112 15.921 249 2HB ASN 31 HB1 ASN 31 13.081 14.413 16.390 250 1HD2 ASN 31 HD21 ASN 31 15.126 13.706 16.989 251 2HD2 ASN 31 HD22 ASN 31 16.588 14.324 16.390 252 H SER 32 HN SER 32 12.093 12.524 15.256 253 HA SER 32 HA SER 32 14.237 10.860 14.393 254 1HB SER 32 HB2 SER 32 13.022 10.064 16.258 255 2HB SER 32 HB1 SER 32 11.471 10.346 15.472 256 HG SER 32 HG SER 32 11.974 8.667 14.029 257 H TYR 33 HN TYR 33 10.856 11.103 13.256 258 HA TYR 33 HA TYR 33 11.130 9.329 11.080 259 1HB TYR 33 HB2 TYR 33 8.947 9.997 11.996 260 2HB TYR 33 HB1 TYR 33 9.215 11.651 11.442 261 HD1 TYR 33 HD1 TYR 33 9.330 12.172 9.029 262 HD2 TYR 33 HD2 TYR 33 8.333 8.240 10.436 263 HE1 TYR 33 HE1 TYR 33 8.470 11.576 6.780 264 HE2 TYR 33 HE2 TYR 33 7.468 7.650 8.185 265 HH TYR 33 HH TYR 33 7.508 8.299 5.972 266 H TYR 34 HN TYR 34 11.246 12.885 11.202 267 HA TYR 34 HA TYR 34 11.672 13.418 8.502 268 1HB TYR 34 HB2 TYR 34 11.235 15.153 10.235 269 2HB TYR 34 HB1 TYR 34 12.869 14.909 10.858 270 HD1 TYR 34 HD2 TYR 34 10.888 15.994 7.928 271 HD2 TYR 34 HD1 TYR 34 14.780 15.876 9.735 272 HE1 TYR 34 HE2 TYR 34 11.740 17.550 6.192 273 HE2 TYR 34 HE1 TYR 34 15.633 17.433 8.004 274 HH TYR 34 HH TYR 34 14.130 19.352 6.353 275 H ARG 35 HN ARG 35 14.077 12.820 11.072 276 HA ARG 35 HA ARG 35 16.345 13.029 9.389 277 1HB ARG 35 HB2 ARG 35 16.429 13.169 11.874 278 2HB ARG 35 HB1 ARG 35 16.061 11.446 11.956 279 1HG ARG 35 HG2 ARG 35 18.105 10.903 10.739 280 2HG ARG 35 HG1 ARG 35 18.451 12.615 10.501 281 1HD ARG 35 HD2 ARG 35 18.623 12.920 12.941 282 2HD ARG 35 HD1 ARG 35 18.275 11.209 13.176 283 HE ARG 35 HE ARG 35 20.463 10.718 12.555 284 1HH1 ARG 35 HH21 ARG 35 19.620 13.960 11.687 285 2HH1 ARG 35 HH22 ARG 35 21.230 14.403 11.232 286 1HH2 ARG 35 HH11 ARG 35 22.577 11.292 11.962 287 2HH2 ARG 35 HH12 ARG 35 22.905 12.893 11.387 288 H SER 36 HN SER 36 14.259 10.329 10.311 289 HA SER 36 HA SER 36 15.823 8.232 9.288 290 1HB SER 36 HB2 SER 36 13.871 6.888 9.437 291 2HB SER 36 HB1 SER 36 13.686 8.091 10.712 292 HG SER 36 HG SER 36 12.215 7.672 8.448 293 H VAL 37 HN VAL 37 13.353 10.261 7.739 294 HA VAL 37 HA VAL 37 13.501 8.920 5.211 295 HB VAL 37 HB VAL 37 12.470 11.674 5.939 296 1HG1 VAL 37 HG11 VAL 37 12.284 10.064 3.373 297 2HG1 VAL 37 HG12 VAL 37 12.946 11.686 3.581 298 3HG1 VAL 37 HG13 VAL 37 11.218 11.421 3.740 299 1HG2 VAL 37 HG21 VAL 37 11.204 9.938 7.042 300 2HG2 VAL 37 HG22 VAL 37 11.144 8.969 5.568 301 3HG2 VAL 37 HG23 VAL 37 10.255 10.483 5.660 302 H VAL 38 HN VAL 38 14.835 11.994 6.428 303 HA VAL 38 HA VAL 38 16.127 12.881 4.141 304 HB VAL 38 HB VAL 38 16.921 13.070 7.051 305 1HG1 VAL 38 HG11 VAL 38 18.329 14.236 4.632 306 2HG1 VAL 38 HG12 VAL 38 19.034 13.336 5.976 307 3HG1 VAL 38 HG13 VAL 38 18.456 14.979 6.227 308 1HG2 VAL 38 HG21 VAL 38 16.110 15.324 6.874 309 2HG2 VAL 38 HG22 VAL 38 14.874 14.269 6.198 310 3HG2 VAL 38 HG23 VAL 38 15.926 15.189 5.128 311 H SER 39 HN SER 39 17.444 10.651 6.606 312 HA SER 39 HA SER 39 19.927 10.235 5.391 313 1HB SER 39 HB2 SER 39 19.169 9.533 7.721 314 2HB SER 39 HB1 SER 39 18.417 8.137 6.956 315 HG SER 39 HG SER 39 20.337 7.323 6.561 316 H THR 40 HN THR 40 16.789 8.744 4.846 317 HA THR 40 HA THR 40 17.756 6.655 3.138 318 HB THR 40 HB THR 40 14.983 7.859 3.361 319 HG1 THR 40 HG1 THR 40 16.215 5.622 4.584 320 1HG2 THR 40 HG21 THR 40 16.021 5.316 2.097 321 2HG2 THR 40 HG22 THR 40 15.141 6.627 1.306 322 3HG2 THR 40 HG23 THR 40 14.320 5.591 2.473 323 H LEU 41 HN LEU 41 16.147 9.782 2.521 324 HA LEU 41 HA LEU 41 16.024 9.707 -0.243 325 1HB LEU 41 HB2 LEU 41 16.584 12.041 1.596 326 2HB LEU 41 HB1 LEU 41 16.228 12.226 -0.120 327 HG LEU 41 HG LEU 41 14.410 10.849 1.884 328 1HD1 LEU 41 HD11 LEU 41 14.374 13.669 0.775 329 2HD1 LEU 41 HD12 LEU 41 14.489 13.182 2.461 330 3HD1 LEU 41 HD13 LEU 41 12.989 12.935 1.572 331 1HD2 LEU 41 HD21 LEU 41 12.726 11.418 -0.104 332 2HD2 LEU 41 HD22 LEU 41 13.714 9.971 -0.177 333 3HD2 LEU 41 HD23 LEU 41 14.194 11.412 -1.076 334 H VAL 42 HN VAL 42 18.795 10.357 1.788 335 HA VAL 42 HA VAL 42 20.503 11.028 -0.493 336 HB VAL 42 HB VAL 42 21.170 10.615 2.418 337 1HG1 VAL 42 HG11 VAL 42 23.154 10.303 1.073 338 2HG1 VAL 42 HG12 VAL 42 23.235 11.933 1.738 339 3HG1 VAL 42 HG13 VAL 42 22.751 11.689 0.058 340 1HG2 VAL 42 HG21 VAL 42 21.279 13.137 2.382 341 2HG2 VAL 42 HG22 VAL 42 19.657 12.501 2.121 342 3HG2 VAL 42 HG23 VAL 42 20.594 13.096 0.752 343 H GLN 43 HN GLN 43 19.849 8.315 1.640 344 HA GLN 43 HA GLN 43 21.842 6.659 0.175 345 1HB GLN 43 HB2 GLN 43 20.627 6.316 2.929 346 2HB GLN 43 HB1 GLN 43 21.669 5.134 2.141 347 1HG GLN 43 HG2 GLN 43 23.479 6.769 2.011 348 2HG GLN 43 HG1 GLN 43 22.442 8.008 2.719 349 1HE2 GLN 43 HE21 GLN 43 24.788 5.719 3.507 350 2HE2 GLN 43 HE22 GLN 43 24.443 5.561 5.161 351 H ASP 44 HN ASP 44 20.336 6.465 -1.542 352 HA ASP 44 HA ASP 44 19.140 4.084 -1.882 353 1HB ASP 44 HB2 ASP 44 17.550 4.155 -0.124 354 2HB ASP 44 HB1 ASP 44 17.176 5.851 -0.414 355 H GLN 45 HN GLN 45 18.476 3.883 -3.924 356 HA GLN 45 HA GLN 45 17.805 4.418 -6.056 357 1HB GLN 45 HB2 GLN 45 15.851 5.482 -5.049 358 2HB GLN 45 HB1 GLN 45 16.759 6.956 -4.770 359 1HG GLN 45 HG2 GLN 45 17.016 7.381 -7.103 360 2HG GLN 45 HG1 GLN 45 16.368 5.789 -7.518 361 1HE2 GLN 45 HE21 GLN 45 15.112 8.031 -8.624 362 2HE2 GLN 45 HE22 GLN 45 13.606 8.275 -7.884 363 H LEU 46 HN LEU 46 18.886 7.487 -4.595 364 HA LEU 46 HA LEU 46 20.373 9.066 -5.413 365 1HB LEU 46 HB2 LEU 46 21.757 6.418 -5.783 366 2HB LEU 46 HB1 LEU 46 22.584 7.932 -6.136 367 HG LEU 46 HG LEU 46 21.204 7.612 -3.459 368 1HD1 LEU 46 HD11 LEU 46 22.540 5.582 -3.623 369 2HD1 LEU 46 HD12 LEU 46 23.345 6.710 -2.532 370 3HD1 LEU 46 HD13 LEU 46 23.936 6.505 -4.181 371 1HD2 LEU 46 HD21 LEU 46 22.202 9.804 -4.174 372 2HD2 LEU 46 HD22 LEU 46 23.769 9.014 -4.305 373 3HD2 LEU 46 HD23 LEU 46 22.978 9.151 -2.739 374 H THR 47 HN THR 47 18.699 9.419 -7.151 375 HA THR 47 HA THR 47 19.640 8.603 -9.840 376 HB THR 47 HB THR 47 17.310 8.157 -9.461 377 HG1 THR 47 HG1 THR 47 16.457 9.840 -10.977 378 1HG2 THR 47 HG21 THR 47 15.750 9.993 -8.870 379 2HG2 THR 47 HG22 THR 47 17.126 11.071 -8.643 380 3HG2 THR 47 HG23 THR 47 16.914 9.683 -7.584 381 H LYS 48 HN LYS 48 19.223 11.340 -7.729 382 HA LYS 48 HA LYS 48 21.011 12.973 -9.157 383 1HB LYS 48 HB2 LYS 48 19.165 13.057 -10.819 384 2HB LYS 48 HB1 LYS 48 18.102 13.685 -9.570 385 1HG LYS 48 HG2 LYS 48 19.363 15.690 -9.372 386 2HG LYS 48 HG1 LYS 48 20.706 15.039 -10.304 387 1HD LYS 48 HD2 LYS 48 19.372 16.585 -11.677 388 2HD LYS 48 HD1 LYS 48 19.265 14.944 -12.311 389 1HE LYS 48 HE2 LYS 48 17.064 14.646 -11.469 390 2HE LYS 48 HE1 LYS 48 17.207 16.022 -10.373 391 1HZ LYS 48 HZ1 LYS 48 16.008 16.142 -12.740 392 2HZ LYS 48 HZ2 LYS 48 17.581 16.598 -13.192 393 3HZ LYS 48 HZ3 LYS 48 16.749 17.478 -12.001 394 H ASN 49 HN ASN 49 21.521 14.843 -8.029 395 HA ASN 49 HA ASN 49 20.886 14.944 -5.286 396 1HB ASN 49 HB2 ASN 49 22.023 17.075 -7.106 397 2HB ASN 49 HB1 ASN 49 21.963 17.202 -5.348 398 1HD2 ASN 49 HD21 ASN 49 22.566 14.386 -4.808 399 2HD2 ASN 49 HD22 ASN 49 24.185 14.137 -5.243 400 H ALA 50 HN ALA 50 19.632 16.799 -8.044 401 HA ALA 50 HA ALA 50 18.017 18.586 -6.609 402 1HB ALA 50 HB1 ALA 50 18.407 17.878 -9.374 403 2HB ALA 50 HB2 ALA 50 17.674 19.344 -8.732 404 3HB ALA 50 HB3 ALA 50 16.673 17.936 -9.072 405 H VAL 51 HN VAL 51 17.272 15.346 -7.904 406 HA VAL 51 HA VAL 51 14.552 15.268 -7.213 407 HB VAL 51 HB VAL 51 16.656 13.119 -7.434 408 1HG1 VAL 51 HG11 VAL 51 15.172 12.079 -5.895 409 2HG1 VAL 51 HG12 VAL 51 14.608 11.518 -7.463 410 3HG1 VAL 51 HG13 VAL 51 13.747 12.812 -6.637 411 1HG2 VAL 51 HG21 VAL 51 14.203 13.690 -9.118 412 2HG2 VAL 51 HG22 VAL 51 15.536 12.606 -9.510 413 3HG2 VAL 51 HG23 VAL 51 15.799 14.346 -9.465 414 H VAL 52 HN VAL 52 17.163 13.703 -5.354 415 HA VAL 52 HA VAL 52 15.658 13.202 -3.094 416 HB VAL 52 HB VAL 52 17.856 13.125 -1.864 417 1HG1 VAL 52 HG11 VAL 52 17.868 11.918 -4.651 418 2HG1 VAL 52 HG12 VAL 52 17.128 11.192 -3.224 419 3HG1 VAL 52 HG13 VAL 52 18.881 11.389 -3.311 420 1HG2 VAL 52 HG21 VAL 52 18.994 15.008 -2.899 421 2HG2 VAL 52 HG22 VAL 52 18.827 14.281 -4.489 422 3HG2 VAL 52 HG23 VAL 52 19.905 13.557 -3.309 423 H LEU 53 HN LEU 53 17.458 16.122 -3.971 424 HA LEU 53 HA LEU 53 17.203 17.466 -1.531 425 1HB LEU 53 HB2 LEU 53 18.682 18.238 -3.323 426 2HB LEU 53 HB1 LEU 53 17.283 18.614 -4.323 427 HG LEU 53 HG LEU 53 16.534 20.287 -2.666 428 1HD1 LEU 53 HD11 LEU 53 17.269 19.598 -0.554 429 2HD1 LEU 53 HD12 LEU 53 18.390 20.907 -0.899 430 3HD1 LEU 53 HD13 LEU 53 18.902 19.236 -1.123 431 1HD2 LEU 53 HD21 LEU 53 19.440 20.663 -3.463 432 2HD2 LEU 53 HD22 LEU 53 18.282 21.943 -3.094 433 3HD2 LEU 53 HD23 LEU 53 18.053 20.931 -4.519 434 H LYS 54 HN LYS 54 15.165 17.670 -4.440 435 HA LYS 54 HA LYS 54 13.260 19.477 -3.534 436 1HB LYS 54 HB2 LYS 54 12.985 17.059 -5.326 437 2HB LYS 54 HB1 LYS 54 11.692 18.239 -5.101 438 1HG LYS 54 HG2 LYS 54 12.872 19.959 -6.189 439 2HG LYS 54 HG1 LYS 54 14.441 19.225 -5.881 440 1HD LYS 54 HD2 LYS 54 13.896 18.995 -8.240 441 2HD LYS 54 HD1 LYS 54 13.871 17.409 -7.476 442 1HE LYS 54 HE2 LYS 54 11.457 17.439 -7.350 443 2HE LYS 54 HE1 LYS 54 11.403 19.111 -7.903 444 1HZ LYS 54 HZ1 LYS 54 11.136 17.026 -9.523 445 2HZ LYS 54 HZ2 LYS 54 12.817 17.248 -9.622 446 3HZ LYS 54 HZ3 LYS 54 11.764 18.517 -10.028 447 H ARG 55 HN ARG 55 13.516 16.004 -2.927 448 HA ARG 55 HA ARG 55 11.017 15.701 -1.629 449 1HB ARG 55 HB2 ARG 55 13.582 14.115 -1.438 450 2HB ARG 55 HB1 ARG 55 12.067 13.613 -0.718 451 1HG ARG 55 HG2 ARG 55 12.157 14.292 -3.663 452 2HG ARG 55 HG1 ARG 55 12.732 12.721 -3.118 453 1HD ARG 55 HD2 ARG 55 10.573 12.256 -2.066 454 2HD ARG 55 HD1 ARG 55 9.979 13.846 -2.524 455 HE ARG 55 HE ARG 55 9.644 13.059 -4.679 456 1HH1 ARG 55 HH21 ARG 55 11.729 10.949 -2.899 457 2HH1 ARG 55 HH22 ARG 55 11.733 9.707 -4.108 458 1HH2 ARG 55 HH11 ARG 55 9.635 11.434 -6.263 459 2HH2 ARG 55 HH12 ARG 55 10.547 9.983 -6.013 460 H ILE 56 HN ILE 56 14.213 16.677 -0.548 461 HA ILE 56 HA ILE 56 13.618 16.510 2.257 462 HB ILE 56 HB ILE 56 15.764 18.022 0.749 463 1HG1 ILE 56 HG12 ILE 56 15.901 15.481 2.402 464 2HG1 ILE 56 HG11 ILE 56 15.798 15.518 0.650 465 1HG2 ILE 56 HG21 ILE 56 15.486 19.156 2.848 466 2HG2 ILE 56 HG22 ILE 56 16.882 18.112 3.026 467 3HG2 ILE 56 HG23 ILE 56 15.336 17.629 3.720 468 1HD1 ILE 56 HD11 ILE 56 17.876 16.943 0.642 469 2HD1 ILE 56 HD12 ILE 56 18.112 15.292 1.198 470 3HD1 ILE 56 HD13 ILE 56 18.016 16.613 2.364 471 H GLN 57 HN GLN 57 13.875 19.256 -0.013 472 HA GLN 57 HA GLN 57 13.110 21.262 1.778 473 1HB GLN 57 HB2 GLN 57 12.628 21.125 -1.209 474 2HB GLN 57 HB1 GLN 57 12.583 22.583 -0.217 475 1HG GLN 57 HG2 GLN 57 14.943 22.243 0.407 476 2HG GLN 57 HG1 GLN 57 14.993 20.782 -0.578 477 1HE2 GLN 57 HE21 GLN 57 13.048 22.431 -2.477 478 2HE2 GLN 57 HE22 GLN 57 14.144 23.345 -3.396 479 H HIS 58 HN HIS 58 11.234 18.998 -0.134 480 HA HIS 58 HA HIS 58 8.704 20.296 0.375 481 1HB HIS 58 HB2 HIS 58 9.402 17.540 -0.678 482 2HB HIS 58 HB1 HIS 58 7.757 18.166 -0.559 483 HD1 HIS 58 HD1 HIS 58 8.955 21.159 -1.316 484 HD2 HIS 58 HD2 HIS 58 9.116 17.661 -3.579 485 HE1 HIS 58 HE1 HIS 58 9.266 21.878 -3.724 486 HE2 HIS 58 HE2 HIS 58 9.366 19.756 -5.116 487 H LEU 59 HN LEU 59 10.382 17.403 1.616 488 HA LEU 59 HA LEU 59 8.426 16.463 3.336 489 1HB LEU 59 HB2 LEU 59 10.597 15.324 2.878 490 2HB LEU 59 HB1 LEU 59 11.399 16.510 3.902 491 HG LEU 59 HG LEU 59 9.927 15.795 5.796 492 1HD1 LEU 59 HD11 LEU 59 8.924 13.399 5.392 493 2HD1 LEU 59 HD12 LEU 59 8.854 13.919 3.713 494 3HD1 LEU 59 HD13 LEU 59 7.995 14.822 4.962 495 1HD2 LEU 59 HD21 LEU 59 11.616 13.643 4.496 496 2HD2 LEU 59 HD22 LEU 59 11.096 13.635 6.182 497 3HD2 LEU 59 HD23 LEU 59 12.177 14.896 5.598 498 H ASP 60 HN ASP 60 10.466 19.266 3.636 499 HA ASP 60 HA ASP 60 10.446 19.751 6.367 500 1HB ASP 60 HB2 ASP 60 10.191 21.713 4.076 501 2HB ASP 60 HB1 ASP 60 10.516 22.180 5.744 502 H GLU 61 HN GLU 61 7.886 20.323 3.985 503 HA GLU 61 HA GLU 61 6.113 21.818 5.531 504 1HB GLU 61 HB2 GLU 61 4.451 21.212 3.962 505 2HB GLU 61 HB1 GLU 61 5.958 21.137 3.053 506 1HG GLU 61 HG2 GLU 61 5.980 18.604 3.713 507 2HG GLU 61 HG1 GLU 61 4.286 18.840 4.122 508 H ALA 62 HN ALA 62 6.812 18.375 5.563 509 HA ALA 62 HA ALA 62 4.567 17.583 7.123 510 1HB ALA 62 HB1 ALA 62 5.759 15.487 7.413 511 2HB ALA 62 HB2 ALA 62 7.273 16.236 6.929 512 3HB ALA 62 HB3 ALA 62 5.980 16.030 5.751 513 H TYR 63 HN TYR 63 7.993 18.089 7.989 514 HA TYR 63 HA TYR 63 7.769 17.683 10.723 515 1HB TYR 63 HB2 TYR 63 9.997 18.114 10.567 516 2HB TYR 63 HB1 TYR 63 9.757 18.683 8.923 517 HD1 TYR 63 HD1 TYR 63 9.568 19.780 12.488 518 HD2 TYR 63 HD2 TYR 63 10.058 21.012 8.415 519 HE1 TYR 63 HE1 TYR 63 10.013 22.095 13.249 520 HE2 TYR 63 HE2 TYR 63 10.499 23.329 9.166 521 HH TYR 63 HH TYR 63 10.040 24.747 11.081 522 H ASN 64 HN ASN 64 7.294 20.662 8.855 523 HA ASN 64 HA ASN 64 6.820 22.355 11.067 524 1HB ASN 64 HB2 ASN 64 7.425 23.187 8.821 525 2HB ASN 64 HB1 ASN 64 5.870 22.638 8.201 526 1HD2 ASN 64 HD21 ASN 64 5.240 24.882 7.699 527 2HD2 ASN 64 HD22 ASN 64 4.807 25.957 8.940 528 H LYS 65 HN LYS 65 4.761 20.300 9.094 529 HA LYS 65 HA LYS 65 2.288 21.297 9.977 530 1HB LYS 65 HB2 LYS 65 2.790 19.638 8.056 531 2HB LYS 65 HB1 LYS 65 2.780 18.393 9.290 532 1HG LYS 65 HG2 LYS 65 0.534 18.363 8.640 533 2HG LYS 65 HG1 LYS 65 0.449 19.525 9.951 534 1HD LYS 65 HD2 LYS 65 0.716 21.360 8.248 535 2HD LYS 65 HD1 LYS 65 0.655 20.136 6.987 536 1HE LYS 65 HE2 LYS 65 -1.527 20.543 9.049 537 2HE LYS 65 HE1 LYS 65 -1.557 21.232 7.423 538 1HZ LYS 65 HZ1 LYS 65 -0.917 18.534 7.186 539 2HZ LYS 65 HZ2 LYS 65 -2.336 19.320 6.678 540 3HZ LYS 65 HZ3 LYS 65 -2.251 18.633 8.230 541 H VAL 66 HN VAL 66 4.438 18.813 11.279 542 HA VAL 66 HA VAL 66 2.686 17.852 13.265 543 HB VAL 66 HB VAL 66 5.723 17.918 13.225 544 1HG1 VAL 66 HG11 VAL 66 5.058 17.583 15.506 545 2HG1 VAL 66 HG12 VAL 66 5.460 15.996 14.858 546 3HG1 VAL 66 HG13 VAL 66 3.771 16.472 15.032 547 1HG2 VAL 66 HG21 VAL 66 3.668 15.849 12.402 548 2HG2 VAL 66 HG22 VAL 66 5.385 15.503 12.590 549 3HG2 VAL 66 HG23 VAL 66 4.845 16.654 11.367 550 H LYS 67 HN LYS 67 5.221 20.322 13.397 551 HA LYS 67 HA LYS 67 4.871 20.989 16.118 552 1HB LYS 67 HB2 LYS 67 5.836 22.750 13.872 553 2HB LYS 67 HB1 LYS 67 6.146 22.967 15.585 554 1HG LYS 67 HG2 LYS 67 6.905 20.268 14.929 555 2HG LYS 67 HG1 LYS 67 7.587 21.296 13.695 556 1HD LYS 67 HD2 LYS 67 7.930 21.579 16.687 557 2HD LYS 67 HD1 LYS 67 9.144 20.983 15.565 558 1HE LYS 67 HE2 LYS 67 8.463 23.471 14.467 559 2HE LYS 67 HE1 LYS 67 8.410 23.779 16.199 560 1HZ LYS 67 HZ1 LYS 67 10.609 23.540 16.383 561 2HZ LYS 67 HZ2 LYS 67 10.633 23.800 14.704 562 3HZ LYS 67 HZ3 LYS 67 10.676 22.218 15.323 563 H ARG 68 HN ARG 68 3.573 22.372 13.155 564 HA ARG 68 HA ARG 68 2.193 24.554 14.199 565 1HB ARG 68 HB2 ARG 68 1.791 22.819 11.774 566 2HB ARG 68 HB1 ARG 68 0.627 24.084 12.141 567 1HG ARG 68 HG2 ARG 68 2.393 25.774 12.072 568 2HG ARG 68 HG1 ARG 68 3.612 24.529 11.830 569 1HD ARG 68 HD2 ARG 68 3.038 25.574 9.687 570 2HD ARG 68 HD1 ARG 68 2.516 23.893 9.692 571 HE ARG 68 HE ARG 68 0.388 25.523 10.589 572 1HH1 ARG 68 HH21 ARG 68 2.262 24.803 7.771 573 2HH1 ARG 68 HH22 ARG 68 0.986 25.170 6.659 574 1HH2 ARG 68 HH11 ARG 68 -1.291 26.006 9.136 575 2HH2 ARG 68 HH12 ARG 68 -1.026 25.851 7.433 576 H GLY 69 HN GLY 69 1.458 21.163 14.260 577 1HA GLY 69 HA2 GLY 69 -1.317 21.526 15.042 578 2HA GLY 69 HA1 GLY 69 -0.424 20.012 14.946 579 H GLU 70 HN GLU 70 1.659 21.757 16.573 580 HA GLU 70 HA GLU 70 0.476 21.189 19.256 581 1HB GLU 70 HB2 GLU 70 3.391 20.952 18.474 582 2HB GLU 70 HB1 GLU 70 2.649 20.462 19.994 583 1HG GLU 70 HG2 GLU 70 1.887 19.270 17.314 584 2HG GLU 70 HG1 GLU 70 3.097 18.574 18.359 585 H SER 71 HN SER 71 3.276 22.253 20.109 586 HA SER 71 HA SER 71 4.185 24.240 20.795 587 1HB SER 71 HB2 SER 71 4.162 26.066 19.341 588 2HB SER 71 HB1 SER 71 3.741 24.753 18.247 589 HG SER 71 HG SER 71 2.264 26.385 17.954 590 H LYS 72 HN LYS 72 0.874 25.009 19.883 591 HA LYS 72 HA LYS 72 -0.930 25.722 21.100 592 1HB LYS 72 HB2 LYS 72 0.671 25.162 23.613 593 2HB LYS 72 HB1 LYS 72 -1.057 25.349 23.471 594 1HG LYS 72 HG2 LYS 72 0.492 23.150 22.076 595 2HG LYS 72 HG1 LYS 72 -0.281 22.951 23.643 596 1HD LYS 72 HD2 LYS 72 -2.457 23.677 22.537 597 2HD LYS 72 HD1 LYS 72 -1.619 23.557 20.990 598 1HE LYS 72 HE2 LYS 72 -1.129 21.203 21.397 599 2HE LYS 72 HE1 LYS 72 -1.903 21.297 22.983 600 1HZ LYS 72 HZ1 LYS 72 -3.966 21.932 21.890 601 2HZ LYS 72 HZ2 LYS 72 -3.425 20.419 21.338 602 3HZ LYS 72 HZ3 LYS 72 -3.220 21.803 20.373 603 H LEU 73 HN LEU 73 -1.318 27.785 20.867 604 HA LEU 73 HA LEU 73 -1.226 30.044 21.087 605 1HB LEU 73 HB2 LEU 73 0.325 29.478 23.611 606 2HB LEU 73 HB1 LEU 73 -0.587 30.929 23.236 607 HG LEU 73 HG LEU 73 -1.772 28.149 23.534 608 1HD1 LEU 73 HD11 LEU 73 -1.757 30.536 25.407 609 2HD1 LEU 73 HD12 LEU 73 -0.966 28.982 25.671 610 3HD1 LEU 73 HD13 LEU 73 -2.726 29.079 25.647 611 1HD2 LEU 73 HD21 LEU 73 -2.967 30.870 22.931 612 2HD2 LEU 73 HD22 LEU 73 -3.935 29.605 23.687 613 3HD2 LEU 73 HD23 LEU 73 -3.238 29.339 22.094 614 H GLU 74 HN GLU 74 1.202 31.168 22.658 615 HA GLU 74 HA GLU 74 3.192 32.155 22.055 616 1HB GLU 74 HB2 GLU 74 3.561 29.479 20.685 617 2HB GLU 74 HB1 GLU 74 4.841 30.638 21.023 618 1HG GLU 74 HG2 GLU 74 3.065 29.427 23.162 619 2HG GLU 74 HG1 GLU 74 4.644 28.782 22.723 620 H HIS 75 HN HIS 75 1.782 33.585 20.713 621 HA HIS 75 HA HIS 75 2.100 33.184 17.788 622 1HB HIS 75 HB2 HIS 75 0.431 35.021 17.616 623 2HB HIS 75 HB1 HIS 75 -0.174 33.628 18.514 624 HD1 HIS 75 HD1 HIS 75 0.059 33.861 21.230 625 HD2 HIS 75 HD2 HIS 75 0.274 37.396 19.030 626 HE1 HIS 75 HE1 HIS 75 -0.368 35.749 22.864 627 HE2 HIS 75 HE2 HIS 75 -0.240 37.911 21.538 628 H HIS 76 HN HIS 76 4.197 34.097 19.775 629 HA HIS 76 HA HIS 76 5.031 36.500 18.263 630 1HB HIS 76 HB2 HIS 76 3.993 37.160 20.486 631 2HB HIS 76 HB1 HIS 76 5.306 36.289 21.277 632 HD1 HIS 76 HD1 HIS 76 5.944 38.148 18.094 633 HD2 HIS 76 HD2 HIS 76 6.517 38.734 22.181 634 HE1 HIS 76 HE1 HIS 76 7.471 40.155 18.323 635 HE2 HIS 76 HE2 HIS 76 7.830 40.525 20.809 636 H HIS 77 HN HIS 77 7.098 36.482 17.678 637 HA HIS 77 HA HIS 77 8.665 34.146 17.942 638 1HB HIS 77 HB2 HIS 77 9.441 36.960 17.133 639 2HB HIS 77 HB1 HIS 77 10.482 35.548 16.953 640 HD1 HIS 77 HD1 HIS 77 8.484 33.473 15.942 641 HD2 HIS 77 HD2 HIS 77 8.597 37.390 14.520 642 HE1 HIS 77 HE1 HIS 77 7.404 33.435 13.652 643 HE2 HIS 77 HE2 HIS 77 7.464 35.816 12.772 644 H HIS 78 HN HIS 78 10.113 37.217 18.820 645 HA HIS 78 HA HIS 78 11.548 36.035 21.005 646 1HB HIS 78 HB2 HIS 78 12.455 37.885 19.611 647 2HB HIS 78 HB1 HIS 78 11.234 38.962 20.290 648 HD1 HIS 78 HD1 HIS 78 11.727 39.989 22.541 649 HD2 HIS 78 HD2 HIS 78 14.322 36.851 21.645 650 HE1 HIS 78 HE1 HIS 78 13.487 39.973 24.363 651 HE2 HIS 78 HE2 HIS 78 15.077 38.065 23.830 652 H HIS 79 HN HIS 79 11.368 36.517 23.217 653 HA HIS 79 HA HIS 79 8.685 36.769 24.179 654 1HB HIS 79 HB2 HIS 79 10.417 35.419 25.328 655 2HB HIS 79 HB1 HIS 79 11.288 36.902 25.719 656 HD1 HIS 79 HD1 HIS 79 7.833 35.378 26.261 657 HD2 HIS 79 HD2 HIS 79 10.428 38.096 28.066 658 HE1 HIS 79 HE1 HIS 79 6.755 36.050 28.453 659 HE2 HIS 79 HE2 HIS 79 8.324 37.707 29.565 660 H HIS 80 HN HIS 80 7.969 38.389 25.743 661 HA HIS 80 HA HIS 80 8.211 41.013 24.784 662 1HB HIS 80 HB2 HIS 80 6.306 40.175 26.146 663 2HB HIS 80 HB1 HIS 80 7.363 40.144 27.558 664 HD1 HIS 80 HD1 HIS 80 8.081 42.422 28.573 665 HD2 HIS 80 HD2 HIS 80 5.543 42.785 25.286 666 HE1 HIS 80 HE1 HIS 80 7.321 44.839 28.518 667 HE2 HIS 80 HE2 HIS 80 5.772 45.075 26.519 668 1H MET 1 HT1 MET 1 45.153 28.537 16.339 669 2H MET 1 HT2 MET 1 46.239 29.312 15.288 670 3H MET 1 HT3 MET 1 44.814 28.615 14.679 671 HA MET 1 HA MET 1 45.005 30.970 16.476 672 1HB MET 1 HB2 MET 1 44.200 30.609 13.573 673 2HB MET 1 HB1 MET 1 43.916 32.090 14.488 674 1HG MET 1 HG2 MET 1 46.337 32.293 14.921 675 2HG MET 1 HG1 MET 1 46.625 30.813 14.006 676 1HE MET 1 HE1 MET 1 48.079 33.430 11.627 677 2HE MET 1 HE2 MET 1 48.215 31.755 12.153 678 3HE MET 1 HE3 MET 1 48.252 33.051 13.345 679 H SER 2 HN SER 2 42.838 32.021 16.695 680 HA SER 2 HA SER 2 40.936 30.160 17.697 681 1HB SER 2 HB2 SER 2 39.514 32.150 18.047 682 2HB SER 2 HB1 SER 2 41.154 32.409 18.635 683 HG SER 2 HG SER 2 41.257 33.140 16.170 684 H GLU 3 HN GLU 3 41.543 31.405 14.578 685 HA GLU 3 HA GLU 3 39.025 31.514 13.409 686 1HB GLU 3 HB2 GLU 3 41.618 30.537 12.190 687 2HB GLU 3 HB1 GLU 3 40.174 30.984 11.287 688 1HG GLU 3 HG2 GLU 3 41.632 32.861 13.166 689 2HG GLU 3 HG1 GLU 3 41.895 32.815 11.423 690 H LEU 4 HN LEU 4 37.832 30.013 12.164 691 HA LEU 4 HA LEU 4 37.213 27.630 13.357 692 1HB LEU 4 HB2 LEU 4 36.931 28.634 10.540 693 2HB LEU 4 HB1 LEU 4 36.447 26.986 10.915 694 HG LEU 4 HG LEU 4 34.571 28.629 11.054 695 1HD1 LEU 4 HD11 LEU 4 34.894 26.486 12.598 696 2HD1 LEU 4 HD12 LEU 4 33.545 27.587 12.844 697 3HD1 LEU 4 HD13 LEU 4 34.963 27.701 13.877 698 1HD2 LEU 4 HD21 LEU 4 35.993 29.718 13.496 699 2HD2 LEU 4 HD22 LEU 4 34.522 30.334 12.753 700 3HD2 LEU 4 HD23 LEU 4 36.062 30.500 11.912 701 H PHE 5 HN PHE 5 38.434 25.966 13.822 702 HA PHE 5 HA PHE 5 40.879 25.369 12.437 703 1HB PHE 5 HB2 PHE 5 40.330 24.964 14.915 704 2HB PHE 5 HB1 PHE 5 39.402 23.565 14.382 705 HD1 PHE 5 HD1 PHE 5 42.760 25.161 14.224 706 HD2 PHE 5 HD2 PHE 5 40.535 21.517 13.835 707 HE1 PHE 5 HE1 PHE 5 44.879 23.887 14.035 708 HE2 PHE 5 HE2 PHE 5 42.649 20.237 13.643 709 HZ PHE 5 HZ PHE 5 44.824 21.425 13.744 710 H SER 6 HN SER 6 39.455 25.321 10.351 711 HA SER 6 HA SER 6 38.656 24.121 8.579 712 1HB SER 6 HB2 SER 6 40.776 22.942 8.831 713 2HB SER 6 HB1 SER 6 40.082 21.904 10.060 714 HG SER 6 HG SER 6 40.105 20.964 7.947 715 H VAL 7 HN VAL 7 37.705 21.505 8.378 716 HA VAL 7 HA VAL 7 35.055 21.734 9.274 717 HB VAL 7 HB VAL 7 36.700 19.487 8.180 718 1HG1 VAL 7 HG11 VAL 7 33.977 19.166 9.457 719 2HG1 VAL 7 HG12 VAL 7 35.425 18.208 9.754 720 3HG1 VAL 7 HG13 VAL 7 34.571 18.042 8.227 721 1HG2 VAL 7 HG21 VAL 7 35.647 21.181 6.693 722 2HG2 VAL 7 HG22 VAL 7 34.065 20.643 7.263 723 3HG2 VAL 7 HG23 VAL 7 35.108 19.535 6.372 724 HA PRO 8 HA PRO 8 36.476 18.342 12.686 725 1HB PRO 8 HB2 PRO 8 38.948 19.911 13.330 726 2HB PRO 8 HB1 PRO 8 38.670 18.168 13.451 727 1HG PRO 8 HG2 PRO 8 40.036 19.416 11.395 728 2HG PRO 8 HG1 PRO 8 39.302 17.809 11.294 729 1HD PRO 8 HD2 PRO 8 38.484 20.196 9.868 730 2HD PRO 8 HD1 PRO 8 37.788 18.579 9.779 731 H TYR 9 HN TYR 9 36.898 21.818 12.537 732 HA TYR 9 HA TYR 9 36.587 22.517 15.216 733 1HB TYR 9 HB2 TYR 9 37.153 24.099 13.380 734 2HB TYR 9 HB1 TYR 9 35.490 23.978 12.804 735 HD1 TYR 9 HD1 TYR 9 33.592 24.736 14.262 736 HD2 TYR 9 HD2 TYR 9 37.697 25.449 15.300 737 HE1 TYR 9 HE1 TYR 9 32.880 26.450 15.903 738 HE2 TYR 9 HE2 TYR 9 36.988 27.160 16.941 739 HH TYR 9 HH TYR 9 34.500 27.463 18.319 740 H PHE 10 HN PHE 10 34.140 21.827 12.725 741 HA PHE 10 HA PHE 10 31.859 22.482 14.260 742 1HB PHE 10 HB2 PHE 10 32.389 20.842 11.800 743 2HB PHE 10 HB1 PHE 10 30.828 20.642 12.589 744 HD1 PHE 10 HD2 PHE 10 33.016 23.666 12.128 745 HD2 PHE 10 HD1 PHE 10 29.226 21.824 11.302 746 HE1 PHE 10 HE2 PHE 10 32.225 25.765 11.082 747 HE2 PHE 10 HE1 PHE 10 28.438 23.928 10.260 748 HZ PHE 10 HZ PHE 10 29.927 25.890 10.141 749 H ILE 11 HN ILE 11 33.697 19.471 13.916 750 HA ILE 11 HA ILE 11 31.912 17.853 15.396 751 HB ILE 11 HB ILE 11 34.913 17.549 15.154 752 1HG1 ILE 11 HG12 ILE 11 32.673 16.620 13.325 753 2HG1 ILE 11 HG11 ILE 11 33.864 17.847 12.939 754 1HG2 ILE 11 HG21 ILE 11 33.730 16.090 16.837 755 2HG2 ILE 11 HG22 ILE 11 34.469 15.194 15.524 756 3HG2 ILE 11 HG23 ILE 11 32.729 15.473 15.523 757 1HD1 ILE 11 HD11 ILE 11 35.638 16.054 13.332 758 2HD1 ILE 11 HD12 ILE 11 34.624 15.837 11.906 759 3HD1 ILE 11 HD13 ILE 11 34.309 14.891 13.361 760 H GLU 12 HN GLU 12 34.856 19.609 16.340 761 HA GLU 12 HA GLU 12 34.933 18.883 19.038 762 1HB GLU 12 HB2 GLU 12 36.087 21.034 17.363 763 2HB GLU 12 HB1 GLU 12 35.917 21.482 19.055 764 1HG GLU 12 HG2 GLU 12 38.117 20.476 18.637 765 2HG GLU 12 HG1 GLU 12 37.167 19.455 19.715 766 H ASN 13 HN ASN 13 32.829 21.099 17.381 767 HA ASN 13 HA ASN 13 31.950 22.543 19.676 768 1HB ASN 13 HB2 ASN 13 30.445 22.072 17.101 769 2HB ASN 13 HB1 ASN 13 30.185 23.366 18.262 770 1HD2 ASN 13 HD21 ASN 13 33.357 23.312 18.517 771 2HD2 ASN 13 HD22 ASN 13 33.832 24.281 17.206 772 H LEU 14 HN LEU 14 30.956 19.561 18.104 773 HA LEU 14 HA LEU 14 28.520 19.207 19.531 774 1HB LEU 14 HB2 LEU 14 30.286 17.079 18.310 775 2HB LEU 14 HB1 LEU 14 28.566 16.956 18.671 776 HG LEU 14 HG LEU 14 29.762 18.963 16.741 777 1HD1 LEU 14 HD11 LEU 14 28.268 16.431 16.061 778 2HD1 LEU 14 HD12 LEU 14 30.023 16.594 15.992 779 3HD1 LEU 14 HD13 LEU 14 28.998 17.578 14.950 780 1HD2 LEU 14 HD21 LEU 14 26.941 18.280 17.579 781 2HD2 LEU 14 HD22 LEU 14 27.257 18.935 15.986 782 3HD2 LEU 14 HD23 LEU 14 27.699 19.865 17.410 783 H LYS 15 HN LYS 15 31.860 18.258 20.111 784 HA LYS 15 HA LYS 15 31.481 16.437 22.179 785 1HB LYS 15 HB2 LYS 15 33.659 16.923 21.075 786 2HB LYS 15 HB1 LYS 15 33.731 18.444 21.965 787 1HG LYS 15 HG2 LYS 15 33.701 17.247 24.094 788 2HG LYS 15 HG1 LYS 15 33.502 15.707 23.255 789 1HD LYS 15 HD2 LYS 15 35.680 16.041 22.139 790 2HD LYS 15 HD1 LYS 15 35.883 17.565 23.004 791 1HE LYS 15 HE2 LYS 15 35.795 16.369 25.154 792 2HE LYS 15 HE1 LYS 15 35.572 14.842 24.301 793 1HZ LYS 15 HZ1 LYS 15 37.960 15.988 24.977 794 2HZ LYS 15 HZ2 LYS 15 37.813 16.300 23.314 795 3HZ LYS 15 HZ3 LYS 15 37.733 14.704 23.892 796 H GLN 16 HN GLN 16 31.370 19.943 22.155 797 HA GLN 16 HA GLN 16 31.447 20.332 24.988 798 1HB GLN 16 HB2 GLN 16 31.338 22.560 24.475 799 2HB GLN 16 HB1 GLN 16 31.601 22.010 22.828 800 1HG GLN 16 HG2 GLN 16 29.069 21.895 22.568 801 2HG GLN 16 HG1 GLN 16 28.937 22.678 24.139 802 1HE2 GLN 16 HE21 GLN 16 28.043 23.776 21.568 803 2HE2 GLN 16 HE22 GLN 16 28.900 25.224 21.346 804 H HIS 17 HN HIS 17 28.874 19.679 22.690 805 HA HIS 17 HA HIS 17 26.716 20.343 24.394 806 1HB HIS 17 HB2 HIS 17 26.857 18.412 22.066 807 2HB HIS 17 HB1 HIS 17 25.372 18.982 22.826 808 HD1 HIS 17 HD1 HIS 17 26.588 19.583 19.817 809 HD2 HIS 17 HD2 HIS 17 26.287 22.222 23.029 810 HE1 HIS 17 HE1 HIS 17 26.585 21.917 18.831 811 HE2 HIS 17 HE2 HIS 17 26.405 23.535 20.779 812 H ILE 18 HN ILE 18 28.221 17.213 23.623 813 HA ILE 18 HA ILE 18 26.664 15.783 25.555 814 HB ILE 18 HB ILE 18 28.056 13.891 24.974 815 1HG1 ILE 18 HG12 ILE 18 29.820 16.000 23.696 816 2HG1 ILE 18 HG11 ILE 18 30.271 14.890 24.984 817 1HG2 ILE 18 HG21 ILE 18 27.515 13.763 22.659 818 2HG2 ILE 18 HG22 ILE 18 27.707 15.501 22.424 819 3HG2 ILE 18 HG23 ILE 18 26.328 14.876 23.317 820 1HD1 ILE 18 HD11 ILE 18 31.239 13.934 23.057 821 2HD1 ILE 18 HD12 ILE 18 29.823 14.289 22.065 822 3HD1 ILE 18 HD13 ILE 18 29.753 13.010 23.279 823 H GLU 19 HN GLU 19 29.943 17.116 25.462 824 HA GLU 19 HA GLU 19 30.718 16.079 28.027 825 1HB GLU 19 HB2 GLU 19 32.335 16.749 26.229 826 2HB GLU 19 HB1 GLU 19 31.888 18.433 26.518 827 1HG GLU 19 HG2 GLU 19 32.675 18.301 28.811 828 2HG GLU 19 HG1 GLU 19 32.999 16.578 28.635 829 H MET 20 HN MET 20 29.864 19.376 26.922 830 HA MET 20 HA MET 20 29.613 20.282 29.689 831 1HB MET 20 HB2 MET 20 30.509 21.580 27.532 832 2HB MET 20 HB1 MET 20 28.812 22.009 27.357 833 1HG MET 20 HG2 MET 20 28.816 22.801 29.728 834 2HG MET 20 HG1 MET 20 30.550 22.491 29.789 835 1HE MET 20 HE1 MET 20 32.212 24.889 27.524 836 2HE MET 20 HE2 MET 20 31.447 23.587 26.619 837 3HE MET 20 HE3 MET 20 32.156 23.255 28.196 838 H ASN 21 HN ASN 21 27.455 20.650 26.875 839 HA ASN 21 HA ASN 21 25.208 20.301 26.637 840 1HB ASN 21 HB2 ASN 21 25.749 18.229 28.168 841 2HB ASN 21 HB1 ASN 21 24.995 19.184 29.440 842 1HD2 ASN 21 HD21 ASN 21 23.013 18.118 29.679 843 2HD2 ASN 21 HD22 ASN 21 21.896 17.904 28.422 844 H GLN 22 HN GLN 22 26.178 22.746 27.372 845 HA GLN 22 HA GLN 22 25.354 24.061 29.577 846 1HB GLN 22 HB2 GLN 22 25.173 24.899 26.683 847 2HB GLN 22 HB1 GLN 22 24.823 26.024 28.001 848 1HG GLN 22 HG2 GLN 22 27.084 25.598 28.925 849 2HG GLN 22 HG1 GLN 22 27.415 24.520 27.570 850 1HE2 GLN 22 HE21 GLN 22 29.217 26.381 27.465 851 2HE2 GLN 22 HE22 GLN 22 28.838 27.673 26.430 852 H SER 23 HN SER 23 23.288 22.869 27.007 853 HA SER 23 HA SER 23 20.964 22.870 28.691 854 1HB SER 23 HB2 SER 23 19.623 24.489 27.524 855 2HB SER 23 HB1 SER 23 21.121 25.289 27.990 856 HG SER 23 HG SER 23 21.889 24.886 25.873 857 H GLU 24 HN GLU 24 22.606 22.272 25.710 858 HA GLU 24 HA GLU 24 20.510 21.169 24.191 859 1HB GLU 24 HB2 GLU 24 22.958 21.771 23.501 860 2HB GLU 24 HB1 GLU 24 23.355 20.153 24.038 861 1HG GLU 24 HG2 GLU 24 22.898 19.948 21.697 862 2HG GLU 24 HG1 GLU 24 21.461 19.327 22.511 863 H ASP 25 HN ASP 25 22.347 18.597 23.967 864 HA ASP 25 HA ASP 25 21.523 17.083 26.320 865 1HB ASP 25 HB2 ASP 25 20.381 16.519 23.564 866 2HB ASP 25 HB1 ASP 25 20.243 15.437 24.953 867 H LYS 26 HN LYS 26 21.794 14.561 25.317 868 HA LYS 26 HA LYS 26 24.672 14.451 24.898 869 1HB LYS 26 HB2 LYS 26 23.469 12.973 26.490 870 2HB LYS 26 HB1 LYS 26 22.687 12.184 25.133 871 1HG LYS 26 HG2 LYS 26 24.974 11.654 24.216 872 2HG LYS 26 HG1 LYS 26 25.671 12.327 25.677 873 1HD LYS 26 HD2 LYS 26 23.678 10.037 25.634 874 2HD LYS 26 HD1 LYS 26 25.424 9.819 25.710 875 1HE LYS 26 HE2 LYS 26 25.351 11.333 27.805 876 2HE LYS 26 HE1 LYS 26 23.609 11.062 27.788 877 1HZ LYS 26 HZ1 LYS 26 24.184 9.292 29.012 878 2HZ LYS 26 HZ2 LYS 26 25.767 9.219 28.397 879 3HZ LYS 26 HZ3 LYS 26 24.472 8.582 27.499 880 H ILE 27 HN ILE 27 22.852 11.926 23.449 881 HA ILE 27 HA ILE 27 24.124 12.220 20.938 882 HB ILE 27 HB ILE 27 21.663 10.608 21.621 883 1HG1 ILE 27 HG12 ILE 27 23.521 10.076 23.131 884 2HG1 ILE 27 HG11 ILE 27 23.257 8.754 22.006 885 1HG2 ILE 27 HG21 ILE 27 21.967 10.799 19.232 886 2HG2 ILE 27 HG22 ILE 27 22.483 9.189 19.733 887 3HG2 ILE 27 HG23 ILE 27 23.685 10.433 19.390 888 1HD1 ILE 27 HD11 ILE 27 25.138 9.947 20.584 889 2HD1 ILE 27 HD12 ILE 27 25.588 8.968 21.971 890 3HD1 ILE 27 HD13 ILE 27 25.526 10.722 22.113 891 H HIS 28 HN HIS 28 20.919 13.095 22.142 892 HA HIS 28 HA HIS 28 19.848 13.866 19.631 893 1HB HIS 28 HB2 HIS 28 18.475 13.409 21.638 894 2HB HIS 28 HB1 HIS 28 19.112 14.874 22.387 895 HD1 HIS 28 HD1 HIS 28 17.016 13.749 19.436 896 HD2 HIS 28 HD2 HIS 28 17.920 17.252 21.508 897 HE1 HIS 28 HE1 HIS 28 15.456 15.532 18.542 898 HE2 HIS 28 HE2 HIS 28 15.997 17.676 19.791 899 H ALA 29 HN ALA 29 22.553 15.013 20.811 900 HA ALA 29 HA ALA 29 22.138 17.864 20.781 901 1HB ALA 29 HB1 ALA 29 24.628 17.951 20.796 902 2HB ALA 29 HB2 ALA 29 24.663 16.197 20.638 903 3HB ALA 29 HB3 ALA 29 23.969 16.933 22.076 904 H MET 30 HN MET 30 23.617 15.519 18.555 905 HA MET 30 HA MET 30 24.273 17.347 16.543 906 1HB MET 30 HB2 MET 30 24.883 15.509 15.298 907 2HB MET 30 HB1 MET 30 24.716 14.715 16.854 908 1HG MET 30 HG2 MET 30 22.482 14.807 14.762 909 2HG MET 30 HG1 MET 30 23.576 13.491 14.988 910 1HE MET 30 HE1 MET 30 22.209 11.397 16.016 911 2HE MET 30 HE2 MET 30 21.256 12.421 14.943 912 3HE MET 30 HE3 MET 30 20.558 11.851 16.455 913 H ASN 31 HN ASN 31 21.272 15.609 17.210 914 HA ASN 31 HA ASN 31 19.896 16.017 14.858 915 1HB ASN 31 HB2 ASN 31 18.921 16.073 17.728 916 2HB ASN 31 HB1 ASN 31 17.824 16.111 16.347 917 1HD2 ASN 31 HD21 ASN 31 18.161 13.958 18.400 918 2HD2 ASN 31 HD22 ASN 31 18.550 12.557 17.527 919 H SER 32 HN SER 32 20.341 18.303 17.544 920 HA SER 32 HA SER 32 18.771 20.354 16.230 921 1HB SER 32 HB2 SER 32 19.021 20.125 18.706 922 2HB SER 32 HB1 SER 32 20.711 20.592 18.530 923 HG SER 32 HG SER 32 20.022 22.548 17.649 924 H TYR 33 HN TYR 33 22.240 20.032 17.079 925 HA TYR 33 HA TYR 33 23.152 22.289 15.696 926 1HB TYR 33 HB2 TYR 33 24.512 21.049 17.344 927 2HB TYR 33 HB1 TYR 33 24.625 19.692 16.225 928 HD1 TYR 33 HD2 TYR 33 25.954 19.853 14.170 929 HD2 TYR 33 HD1 TYR 33 25.693 23.152 16.907 930 HE1 TYR 33 HE2 TYR 33 27.869 20.950 13.035 931 HE2 TYR 33 HE1 TYR 33 27.612 24.247 15.775 932 HH TYR 33 HH TYR 33 29.233 24.003 14.256 933 H TYR 34 HN TYR 34 22.942 18.897 14.639 934 HA TYR 34 HA TYR 34 24.058 19.165 12.087 935 1HB TYR 34 HB2 TYR 34 23.463 16.981 13.184 936 2HB TYR 34 HB1 TYR 34 21.765 17.338 12.861 937 HD1 TYR 34 HD2 TYR 34 20.992 17.669 10.474 938 HD2 TYR 34 HD1 TYR 34 24.845 16.059 11.461 939 HE1 TYR 34 HE2 TYR 34 21.212 16.791 8.170 940 HE2 TYR 34 HE1 TYR 34 25.070 15.182 9.151 941 HH TYR 34 HH TYR 34 24.197 15.546 6.958 942 H ARG 35 HN ARG 35 20.632 19.329 13.076 943 HA ARG 35 HA ARG 35 19.666 20.006 10.514 944 1HB ARG 35 HB2 ARG 35 18.243 19.047 12.301 945 2HB ARG 35 HB1 ARG 35 18.369 20.572 13.181 946 1HG ARG 35 HG2 ARG 35 17.315 21.778 11.327 947 2HG ARG 35 HG1 ARG 35 17.281 20.303 10.357 948 1HD ARG 35 HD2 ARG 35 15.856 19.248 12.122 949 2HD ARG 35 HD1 ARG 35 15.807 20.801 12.953 950 HE ARG 35 HE ARG 35 14.974 21.009 10.207 951 1HH1 ARG 35 HH21 ARG 35 14.035 20.095 13.410 952 2HH1 ARG 35 HH22 ARG 35 12.349 20.394 13.150 953 1HH2 ARG 35 HH11 ARG 35 12.763 21.405 9.860 954 2HH2 ARG 35 HH12 ARG 35 11.637 21.132 11.137 955 H SER 36 HN SER 36 21.084 21.821 13.100 956 HA SER 36 HA SER 36 20.061 24.386 12.327 957 1HB SER 36 HB2 SER 36 22.545 23.723 13.919 958 2HB SER 36 HB1 SER 36 21.813 25.307 13.775 959 HG SER 36 HG SER 36 20.086 24.628 14.913 960 H VAL 37 HN VAL 37 23.145 22.696 11.745 961 HA VAL 37 HA VAL 37 24.308 24.798 10.233 962 HB VAL 37 HB VAL 37 24.794 21.810 10.214 963 1HG1 VAL 37 HG11 VAL 37 26.318 24.059 8.868 964 2HG1 VAL 37 HG12 VAL 37 25.638 22.614 8.110 965 3HG1 VAL 37 HG13 VAL 37 27.010 22.477 9.172 966 1HG2 VAL 37 HG21 VAL 37 26.195 24.144 11.550 967 2HG2 VAL 37 HG22 VAL 37 26.829 22.501 11.510 968 3HG2 VAL 37 HG23 VAL 37 25.312 22.841 12.345 969 H VAL 38 HN VAL 38 23.121 21.669 8.987 970 HA VAL 38 HA VAL 38 23.108 22.223 6.298 971 HB VAL 38 HB VAL 38 21.327 20.563 6.056 972 1HG1 VAL 38 HG11 VAL 38 22.383 18.720 7.254 973 2HG1 VAL 38 HG12 VAL 38 23.146 19.846 8.378 974 3HG1 VAL 38 HG13 VAL 38 23.635 19.824 6.683 975 1HG2 VAL 38 HG21 VAL 38 20.894 21.200 8.981 976 2HG2 VAL 38 HG22 VAL 38 20.387 19.638 8.319 977 3HG2 VAL 38 HG23 VAL 38 19.699 21.129 7.687 978 H SER 39 HN SER 39 20.478 22.976 8.604 979 HA SER 39 HA SER 39 18.705 24.126 6.751 980 1HB SER 39 HB2 SER 39 18.003 23.577 9.014 981 2HB SER 39 HB1 SER 39 19.115 24.775 9.680 982 HG SER 39 HG SER 39 17.926 26.332 8.389 983 H THR 40 HN THR 40 21.605 25.345 8.228 984 HA THR 40 HA THR 40 21.075 28.117 7.478 985 HB THR 40 HB THR 40 23.638 26.889 8.526 986 HG1 THR 40 HG1 THR 40 22.474 28.235 10.395 987 1HG2 THR 40 HG21 THR 40 24.031 29.256 9.256 988 2HG2 THR 40 HG22 THR 40 22.598 29.724 8.339 989 3HG2 THR 40 HG23 THR 40 23.995 29.045 7.505 990 H LEU 41 HN LEU 41 23.417 25.582 6.577 991 HA LEU 41 HA LEU 41 24.638 27.060 4.492 992 1HB LEU 41 HB2 LEU 41 24.401 24.053 4.700 993 2HB LEU 41 HB1 LEU 41 25.628 24.964 3.820 994 HG LEU 41 HG LEU 41 25.231 24.892 6.829 995 1HD1 LEU 41 HD11 LEU 41 26.337 22.917 5.837 996 2HD1 LEU 41 HD12 LEU 41 27.466 23.856 6.813 997 3HD1 LEU 41 HD13 LEU 41 27.510 23.977 5.060 998 1HD2 LEU 41 HD21 LEU 41 25.959 27.118 6.437 999 2HD2 LEU 41 HD22 LEU 41 26.988 26.640 5.083 1000 3HD2 LEU 41 HD23 LEU 41 27.460 26.253 6.736 1001 H VAL 42 HN VAL 42 22.016 24.670 4.461 1002 HA VAL 42 HA VAL 42 21.614 24.583 1.685 1003 HB VAL 42 HB VAL 42 19.663 24.232 3.966 1004 1HG1 VAL 42 HG11 VAL 42 19.311 23.786 0.991 1005 2HG1 VAL 42 HG12 VAL 42 18.292 24.732 2.078 1006 3HG1 VAL 42 HG13 VAL 42 18.306 22.977 2.195 1007 1HG2 VAL 42 HG21 VAL 42 20.908 22.118 2.179 1008 2HG2 VAL 42 HG22 VAL 42 20.094 21.891 3.729 1009 3HG2 VAL 42 HG23 VAL 42 21.684 22.650 3.666 1010 H GLN 43 HN GLN 43 20.914 27.051 3.994 1011 HA GLN 43 HA GLN 43 19.172 28.502 2.087 1012 1HB GLN 43 HB2 GLN 43 18.316 28.175 4.391 1013 2HB GLN 43 HB1 GLN 43 19.700 29.078 5.008 1014 1HG GLN 43 HG2 GLN 43 19.018 31.064 3.769 1015 2HG GLN 43 HG1 GLN 43 17.714 30.169 2.991 1016 1HE2 GLN 43 HE21 GLN 43 16.022 31.494 3.910 1017 2HE2 GLN 43 HE22 GLN 43 15.662 31.463 5.569 1018 H ASP 44 HN ASP 44 22.273 28.553 3.659 1019 HA ASP 44 HA ASP 44 22.951 31.252 3.400 1020 1HB ASP 44 HB2 ASP 44 24.294 29.461 4.567 1021 2HB ASP 44 HB1 ASP 44 24.829 28.913 2.976 1022 H GLN 45 HN GLN 45 23.393 28.578 1.101 1023 HA GLN 45 HA GLN 45 23.564 30.556 -1.120 1024 1HB GLN 45 HB2 GLN 45 25.292 29.135 -2.176 1025 2HB GLN 45 HB1 GLN 45 25.834 29.798 -0.633 1026 1HG GLN 45 HG2 GLN 45 25.189 27.656 0.473 1027 2HG GLN 45 HG1 GLN 45 24.773 26.996 -1.108 1028 1HE2 GLN 45 HE21 GLN 45 27.075 28.521 -2.386 1029 2HE2 GLN 45 HE22 GLN 45 28.460 27.639 -1.957 1030 H LEU 46 HN LEU 46 23.786 28.820 -3.185 1031 HA LEU 46 HA LEU 46 22.145 26.573 -3.189 1032 1HB LEU 46 HB2 LEU 46 20.512 28.783 -2.785 1033 2HB LEU 46 HB1 LEU 46 20.452 28.643 -4.512 1034 HG LEU 46 HG LEU 46 19.896 26.347 -2.600 1035 1HD1 LEU 46 HD11 LEU 46 17.544 26.708 -3.118 1036 2HD1 LEU 46 HD12 LEU 46 17.953 28.029 -4.213 1037 3HD1 LEU 46 HD13 LEU 46 18.219 28.207 -2.478 1038 1HD2 LEU 46 HD21 LEU 46 19.551 26.698 -5.601 1039 2HD2 LEU 46 HD22 LEU 46 18.962 25.311 -4.683 1040 3HD2 LEU 46 HD23 LEU 46 20.689 25.620 -4.799 1041 H THR 47 HN THR 47 24.535 27.662 -4.412 1042 HA THR 47 HA THR 47 24.130 28.311 -7.117 1043 HB THR 47 HB THR 47 26.301 28.809 -6.443 1044 HG1 THR 47 HG1 THR 47 27.189 27.788 -8.022 1045 1HG2 THR 47 HG21 THR 47 27.692 27.101 -5.168 1046 2HG2 THR 47 HG22 THR 47 26.206 26.179 -4.953 1047 3HG2 THR 47 HG23 THR 47 26.343 27.806 -4.284 1048 H LYS 48 HN LYS 48 24.732 25.224 -5.506 1049 HA LYS 48 HA LYS 48 23.343 23.801 -7.621 1050 1HB LYS 48 HB2 LYS 48 25.737 24.086 -8.418 1051 2HB LYS 48 HB1 LYS 48 26.221 23.093 -7.053 1052 1HG LYS 48 HG2 LYS 48 26.003 21.452 -8.693 1053 2HG LYS 48 HG1 LYS 48 24.388 21.412 -8.005 1054 1HD LYS 48 HD2 LYS 48 23.638 22.998 -9.798 1055 2HD LYS 48 HD1 LYS 48 25.250 22.913 -10.498 1056 1HE LYS 48 HE2 LYS 48 25.001 20.491 -10.817 1057 2HE LYS 48 HE1 LYS 48 23.396 20.555 -10.083 1058 1HZ LYS 48 HZ1 LYS 48 22.605 21.025 -12.083 1059 2HZ LYS 48 HZ2 LYS 48 24.166 21.154 -12.744 1060 3HZ LYS 48 HZ3 LYS 48 23.427 22.507 -12.029 1061 H ASN 49 HN ASN 49 22.329 22.065 -6.821 1062 HA ASN 49 HA ASN 49 22.114 21.508 -4.124 1063 1HB ASN 49 HB2 ASN 49 21.814 19.495 -6.356 1064 2HB ASN 49 HB1 ASN 49 21.069 19.422 -4.760 1065 1HD2 ASN 49 HD21 ASN 49 20.636 22.467 -4.890 1066 2HD2 ASN 49 HD22 ASN 49 19.280 22.641 -5.895 1067 H ALA 50 HN ALA 50 24.580 20.508 -6.368 1068 HA ALA 50 HA ALA 50 25.608 18.368 -4.712 1069 1HB ALA 50 HB1 ALA 50 27.420 18.272 -6.310 1070 2HB ALA 50 HB2 ALA 50 26.981 19.845 -6.972 1071 3HB ALA 50 HB3 ALA 50 25.908 18.462 -7.193 1072 H VAL 51 HN VAL 51 26.787 21.625 -5.586 1073 HA VAL 51 HA VAL 51 29.089 21.769 -4.077 1074 HB VAL 51 HB VAL 51 26.990 23.870 -4.642 1075 1HG1 VAL 51 HG11 VAL 51 28.889 25.524 -3.944 1076 2HG1 VAL 51 HG12 VAL 51 29.543 24.168 -3.037 1077 3HG1 VAL 51 HG13 VAL 51 27.930 24.786 -2.670 1078 1HG2 VAL 51 HG21 VAL 51 28.498 22.888 -6.472 1079 2HG2 VAL 51 HG22 VAL 51 29.839 23.694 -5.662 1080 3HG2 VAL 51 HG23 VAL 51 28.503 24.646 -6.316 1081 H VAL 52 HN VAL 52 25.755 22.183 -2.935 1082 HA VAL 52 HA VAL 52 26.550 22.764 -0.224 1083 HB VAL 52 HB VAL 52 24.106 22.545 0.271 1084 1HG1 VAL 52 HG11 VAL 52 25.133 24.672 -0.585 1085 2HG1 VAL 52 HG12 VAL 52 23.436 24.495 -1.034 1086 3HG1 VAL 52 HG13 VAL 52 24.702 24.176 -2.221 1087 1HG2 VAL 52 HG21 VAL 52 23.967 21.913 -2.685 1088 2HG2 VAL 52 HG22 VAL 52 22.580 22.186 -1.643 1089 3HG2 VAL 52 HG23 VAL 52 23.608 20.779 -1.386 1090 H LEU 53 HN LEU 53 25.684 19.941 -2.066 1091 HA LEU 53 HA LEU 53 25.134 18.183 0.031 1092 1HB LEU 53 HB2 LEU 53 24.724 17.716 -2.396 1093 2HB LEU 53 HB1 LEU 53 26.458 17.487 -2.591 1094 HG LEU 53 HG LEU 53 26.405 15.673 -0.920 1095 1HD1 LEU 53 HD11 LEU 53 24.621 15.960 0.542 1096 2HD1 LEU 53 HD12 LEU 53 23.928 14.755 -0.532 1097 3HD1 LEU 53 HD13 LEU 53 23.509 16.455 -0.739 1098 1HD2 LEU 53 HD21 LEU 53 24.495 15.377 -3.255 1099 2HD2 LEU 53 HD22 LEU 53 25.185 14.027 -2.353 1100 3HD2 LEU 53 HD23 LEU 53 26.236 15.101 -3.274 1101 H LYS 54 HN LYS 54 28.134 19.396 -1.243 1102 HA LYS 54 HA LYS 54 29.872 17.444 -0.196 1103 1HB LYS 54 HB2 LYS 54 30.594 20.369 -0.420 1104 2HB LYS 54 HB1 LYS 54 31.634 18.961 -0.647 1105 1HG LYS 54 HG2 LYS 54 29.413 19.928 -2.458 1106 2HG LYS 54 HG1 LYS 54 31.122 19.820 -2.835 1107 1HD LYS 54 HD2 LYS 54 30.850 17.265 -2.377 1108 2HD LYS 54 HD1 LYS 54 29.120 17.573 -2.520 1109 1HE LYS 54 HE2 LYS 54 31.243 18.050 -4.634 1110 2HE LYS 54 HE1 LYS 54 29.909 16.898 -4.697 1111 1HZ LYS 54 HZ1 LYS 54 29.500 18.972 -5.948 1112 2HZ LYS 54 HZ2 LYS 54 29.559 19.831 -4.483 1113 3HZ LYS 54 HZ3 LYS 54 28.348 18.669 -4.741 1114 H ARG 55 HN ARG 55 28.711 20.506 1.154 1115 HA ARG 55 HA ARG 55 30.149 20.342 3.590 1116 1HB ARG 55 HB2 ARG 55 27.514 21.740 3.102 1117 2HB ARG 55 HB1 ARG 55 28.709 22.112 4.344 1118 1HG ARG 55 HG2 ARG 55 29.182 22.343 1.351 1119 2HG ARG 55 HG1 ARG 55 28.829 23.693 2.423 1120 1HD ARG 55 HD2 ARG 55 30.883 22.981 3.771 1121 2HD ARG 55 HD1 ARG 55 31.281 21.924 2.417 1122 HE ARG 55 HE ARG 55 30.796 24.630 1.573 1123 1HH1 ARG 55 HH21 ARG 55 33.072 22.430 2.973 1124 2HH1 ARG 55 HH22 ARG 55 34.465 23.309 2.436 1125 1HH2 ARG 55 HH11 ARG 55 32.619 25.792 0.869 1126 2HH2 ARG 55 HH12 ARG 55 34.208 25.213 1.245 1127 H ILE 56 HN ILE 56 26.881 19.329 2.669 1128 HA ILE 56 HA ILE 56 26.063 18.507 5.245 1129 HB ILE 56 HB ILE 56 25.211 17.438 2.546 1130 1HG1 ILE 56 HG12 ILE 56 23.986 19.614 4.274 1131 2HG1 ILE 56 HG11 ILE 56 24.977 19.918 2.852 1132 1HG2 ILE 56 HG21 ILE 56 23.955 17.284 5.301 1133 2HG2 ILE 56 HG22 ILE 56 24.510 15.933 4.313 1134 3HG2 ILE 56 HG23 ILE 56 23.111 16.862 3.812 1135 1HD1 ILE 56 HD11 ILE 56 23.359 18.564 1.509 1136 2HD1 ILE 56 HD12 ILE 56 22.651 20.022 2.194 1137 3HD1 ILE 56 HD13 ILE 56 22.338 18.452 2.935 1138 H GLN 57 HN GLN 57 27.461 16.650 2.537 1139 HA GLN 57 HA GLN 57 27.523 14.133 3.733 1140 1HB GLN 57 HB2 GLN 57 29.320 15.450 1.692 1141 2HB GLN 57 HB1 GLN 57 29.550 13.773 2.184 1142 1HG GLN 57 HG2 GLN 57 26.879 14.816 1.205 1143 2HG GLN 57 HG1 GLN 57 28.090 14.156 0.107 1144 1HE2 GLN 57 HE21 GLN 57 25.316 13.172 1.379 1145 2HE2 GLN 57 HE22 GLN 57 25.669 11.556 1.759 1146 H HIS 58 HN HIS 58 29.726 16.858 4.061 1147 HA HIS 58 HA HIS 58 31.716 15.411 5.522 1148 1HB HIS 58 HB2 HIS 58 31.157 18.393 5.408 1149 2HB HIS 58 HB1 HIS 58 32.617 17.641 6.057 1150 HD1 HIS 58 HD1 HIS 58 32.555 15.379 3.711 1151 HD2 HIS 58 HD2 HIS 58 32.659 19.517 3.221 1152 HE1 HIS 58 HE1 HIS 58 33.515 15.803 1.406 1153 HE2 HIS 58 HE2 HIS 58 33.584 18.322 1.092 1154 H LEU 59 HN LEU 59 28.665 16.861 6.292 1155 HA LEU 59 HA LEU 59 29.214 17.159 9.113 1156 1HB LEU 59 HB2 LEU 59 27.269 18.121 7.364 1157 2HB LEU 59 HB1 LEU 59 26.366 17.018 8.379 1158 HG LEU 59 HG LEU 59 26.354 19.285 9.321 1159 1HD1 LEU 59 HD11 LEU 59 26.781 17.022 10.752 1160 2HD1 LEU 59 HD12 LEU 59 26.544 18.594 11.488 1161 3HD1 LEU 59 HD13 LEU 59 28.170 17.964 11.265 1162 1HD2 LEU 59 HD21 LEU 59 28.197 20.613 9.520 1163 2HD2 LEU 59 HD22 LEU 59 28.922 19.538 8.345 1164 3HD2 LEU 59 HD23 LEU 59 29.229 19.311 10.069 1165 H ASP 60 HN ASP 60 28.177 14.597 7.080 1166 HA ASP 60 HA ASP 60 26.786 13.024 8.965 1167 1HB ASP 60 HB2 ASP 60 26.765 12.600 6.550 1168 2HB ASP 60 HB1 ASP 60 28.459 12.120 6.619 1169 H GLU 61 HN GLU 61 30.234 13.236 8.143 1170 HA GLU 61 HA GLU 61 31.142 11.106 9.758 1171 1HB GLU 61 HB2 GLU 61 33.308 11.903 9.318 1172 2HB GLU 61 HB1 GLU 61 32.378 12.468 7.933 1173 1HG GLU 61 HG2 GLU 61 32.041 14.648 9.349 1174 2HG GLU 61 HG1 GLU 61 33.382 14.070 10.305 1175 H ALA 62 HN ALA 62 30.342 14.438 10.492 1176 HA ALA 62 HA ALA 62 31.604 14.552 13.047 1177 1HB ALA 62 HB1 ALA 62 29.213 16.113 12.071 1178 2HB ALA 62 HB2 ALA 62 30.877 16.527 11.671 1179 3HB ALA 62 HB3 ALA 62 30.331 16.577 13.343 1180 H TYR 63 HN TYR 63 28.162 14.267 12.135 1181 HA TYR 63 HA TYR 63 27.116 13.874 14.624 1182 1HB TYR 63 HB2 TYR 63 25.234 13.762 13.352 1183 2HB TYR 63 HB1 TYR 63 26.215 13.549 11.918 1184 HD1 TYR 63 HD2 TYR 63 24.738 11.632 14.789 1185 HD2 TYR 63 HD1 TYR 63 26.216 11.452 10.766 1186 HE1 TYR 63 HE2 TYR 63 23.995 9.285 14.633 1187 HE2 TYR 63 HE1 TYR 63 25.486 9.090 10.610 1188 HH TYR 63 HH TYR 63 23.633 7.642 11.832 1189 H ASN 64 HN ASN 64 28.527 11.489 12.416 1190 HA ASN 64 HA ASN 64 27.945 9.174 13.910 1191 1HB ASN 64 HB2 ASN 64 28.661 9.174 11.524 1192 2HB ASN 64 HB1 ASN 64 30.282 9.641 12.034 1193 1HD2 ASN 64 HD21 ASN 64 31.356 7.662 11.460 1194 2HD2 ASN 64 HD22 ASN 64 31.000 6.179 12.204 1195 H LYS 65 HN LYS 65 30.540 11.523 14.044 1196 HA LYS 65 HA LYS 65 32.287 10.050 15.695 1197 1HB LYS 65 HB2 LYS 65 32.753 12.218 14.387 1198 2HB LYS 65 HB1 LYS 65 32.008 13.060 15.741 1199 1HG LYS 65 HG2 LYS 65 34.230 13.068 16.459 1200 2HG LYS 65 HG1 LYS 65 33.705 11.559 17.177 1201 1HD LYS 65 HD2 LYS 65 34.582 10.336 15.201 1202 2HD LYS 65 HD1 LYS 65 35.132 11.865 14.519 1203 1HE LYS 65 HE2 LYS 65 36.581 12.226 16.480 1204 2HE LYS 65 HE1 LYS 65 36.024 10.701 17.173 1205 1HZ LYS 65 HZ1 LYS 65 37.254 10.865 14.489 1206 2HZ LYS 65 HZ2 LYS 65 37.003 9.484 15.447 1207 3HZ LYS 65 HZ3 LYS 65 38.177 10.629 15.892 1208 H VAL 66 HN VAL 66 29.562 12.187 16.383 1209 HA VAL 66 HA VAL 66 29.962 12.438 19.148 1210 HB VAL 66 HB VAL 66 27.344 12.477 17.592 1211 1HG1 VAL 66 HG11 VAL 66 26.835 12.164 19.916 1212 2HG1 VAL 66 HG12 VAL 66 26.598 13.873 19.565 1213 3HG1 VAL 66 HG13 VAL 66 28.056 13.340 20.400 1214 1HG2 VAL 66 HG21 VAL 66 29.292 14.647 18.423 1215 2HG2 VAL 66 HG22 VAL 66 27.675 14.951 17.778 1216 3HG2 VAL 66 HG23 VAL 66 28.895 14.154 16.778 1217 H LYS 67 HN LYS 67 28.025 10.128 17.294 1218 HA LYS 67 HA LYS 67 27.169 8.659 19.594 1219 1HB LYS 67 HB2 LYS 67 27.320 7.786 16.715 1220 2HB LYS 67 HB1 LYS 67 26.345 7.066 17.986 1221 1HG LYS 67 HG2 LYS 67 25.727 9.866 18.013 1222 2HG LYS 67 HG1 LYS 67 25.740 9.398 16.328 1223 1HD LYS 67 HD2 LYS 67 24.192 8.012 18.538 1224 2HD LYS 67 HD1 LYS 67 23.503 9.176 17.408 1225 1HE LYS 67 HE2 LYS 67 23.108 7.472 15.925 1226 2HE LYS 67 HE1 LYS 67 24.836 7.138 15.849 1227 1HZ LYS 67 HZ1 LYS 67 22.751 5.818 17.380 1228 2HZ LYS 67 HZ2 LYS 67 24.233 6.030 18.181 1229 3HZ LYS 67 HZ3 LYS 67 24.176 5.184 16.709 1230 H ARG 68 HN ARG 68 29.588 8.072 17.080 1231 HA ARG 68 HA ARG 68 30.538 5.610 18.001 1232 1HB ARG 68 HB2 ARG 68 31.857 7.818 16.431 1233 2HB ARG 68 HB1 ARG 68 32.644 6.280 16.724 1234 1HG ARG 68 HG2 ARG 68 29.886 6.412 15.478 1235 2HG ARG 68 HG1 ARG 68 31.334 6.580 14.494 1236 1HD ARG 68 HD2 ARG 68 32.137 4.386 15.312 1237 2HD ARG 68 HD1 ARG 68 30.666 4.191 16.251 1238 HE ARG 68 HE ARG 68 30.938 3.913 13.374 1239 1HH1 ARG 68 HH21 ARG 68 28.826 4.488 16.054 1240 2HH1 ARG 68 HH22 ARG 68 27.409 3.918 15.237 1241 1HH2 ARG 68 HH11 ARG 68 29.090 3.157 12.299 1242 2HH2 ARG 68 HH12 ARG 68 27.559 3.164 13.110 1243 H GLY 69 HN GLY 69 31.343 8.900 18.902 1244 1HA GLY 69 HA2 GLY 69 33.618 8.235 20.485 1245 2HA GLY 69 HA1 GLY 69 32.721 9.749 20.529 1246 H GLU 70 HN GLU 70 30.248 7.920 20.938 1247 HA GLU 70 HA GLU 70 30.448 7.892 23.888 1248 1HB GLU 70 HB2 GLU 70 28.107 7.779 21.976 1249 2HB GLU 70 HB1 GLU 70 27.948 7.619 23.725 1250 1HG GLU 70 HG2 GLU 70 29.390 9.983 22.500 1251 2HG GLU 70 HG1 GLU 70 27.652 9.991 22.699 1252 H SER 71 HN SER 71 28.635 6.090 24.623 1253 HA SER 71 HA SER 71 28.900 3.550 23.312 1254 1HB SER 71 HB2 SER 71 31.158 3.733 24.303 1255 2HB SER 71 HB1 SER 71 30.435 3.979 25.889 1256 HG SER 71 HG SER 71 30.810 1.686 24.461 1257 H LYS 72 HN LYS 72 27.964 1.794 24.666 1258 HA LYS 72 HA LYS 72 25.503 2.730 25.841 1259 1HB LYS 72 HB2 LYS 72 26.735 -0.028 25.628 1260 2HB LYS 72 HB1 LYS 72 25.117 0.289 26.247 1261 1HG LYS 72 HG2 LYS 72 24.485 1.326 24.099 1262 2HG LYS 72 HG1 LYS 72 26.115 1.066 23.488 1263 1HD LYS 72 HD2 LYS 72 24.957 -0.769 22.575 1264 2HD LYS 72 HD1 LYS 72 25.656 -1.468 24.031 1265 1HE LYS 72 HE2 LYS 72 23.291 -2.113 23.818 1266 2HE LYS 72 HE1 LYS 72 23.498 -1.067 25.219 1267 1HZ LYS 72 HZ1 LYS 72 21.772 -0.672 23.133 1268 2HZ LYS 72 HZ2 LYS 72 23.037 0.425 22.841 1269 3HZ LYS 72 HZ3 LYS 72 22.197 0.468 24.316 1270 H LEU 73 HN LEU 73 28.240 0.822 27.117 1271 HA LEU 73 HA LEU 73 28.058 2.153 29.695 1272 1HB LEU 73 HB2 LEU 73 27.675 0.126 30.966 1273 2HB LEU 73 HB1 LEU 73 26.346 0.412 29.851 1274 HG LEU 73 HG LEU 73 28.059 -1.145 28.292 1275 1HD1 LEU 73 HD11 LEU 73 28.085 -2.360 31.072 1276 2HD1 LEU 73 HD12 LEU 73 29.477 -1.589 30.314 1277 3HD1 LEU 73 HD13 LEU 73 28.787 -3.049 29.606 1278 1HD2 LEU 73 HD21 LEU 73 25.793 -2.090 30.086 1279 2HD2 LEU 73 HD22 LEU 73 26.457 -3.010 28.736 1280 3HD2 LEU 73 HD23 LEU 73 25.638 -1.478 28.438 1281 H GLU 74 HN GLU 74 29.580 -0.060 27.499 1282 HA GLU 74 HA GLU 74 31.761 -0.968 28.915 1283 1HB GLU 74 HB2 GLU 74 31.668 -0.039 26.034 1284 2HB GLU 74 HB1 GLU 74 32.956 -1.010 26.739 1285 1HG GLU 74 HG2 GLU 74 30.043 -1.845 26.679 1286 2HG GLU 74 HG1 GLU 74 31.244 -2.360 25.497 1287 H HIS 75 HN HIS 75 32.416 0.559 30.403 1288 HA HIS 75 HA HIS 75 33.712 2.248 31.231 1289 1HB HIS 75 HB2 HIS 75 35.412 1.178 29.732 1290 2HB HIS 75 HB1 HIS 75 34.943 2.301 28.459 1291 HD1 HIS 75 HD1 HIS 75 36.075 4.522 28.455 1292 HD2 HIS 75 HD2 HIS 75 36.411 2.620 32.150 1293 HE1 HIS 75 HE1 HIS 75 37.608 5.963 29.866 1294 HE2 HIS 75 HE2 HIS 75 37.821 4.816 32.121 1295 H HIS 76 HN HIS 76 31.588 3.405 31.183 1296 HA HIS 76 HA HIS 76 31.942 6.007 29.934 1297 1HB HIS 76 HB2 HIS 76 30.837 4.729 28.137 1298 2HB HIS 76 HB1 HIS 76 29.532 4.305 29.247 1299 HD1 HIS 76 HD1 HIS 76 31.186 7.430 27.816 1300 HD2 HIS 76 HD2 HIS 76 27.515 6.201 29.364 1301 HE1 HIS 76 HE1 HIS 76 29.598 9.382 27.528 1302 HE2 HIS 76 HE2 HIS 76 27.356 8.648 28.467 1303 H HIS 77 HN HIS 77 32.111 6.329 32.297 1304 HA HIS 77 HA HIS 77 29.463 7.005 33.408 1305 1HB HIS 77 HB2 HIS 77 31.513 5.437 34.992 1306 2HB HIS 77 HB1 HIS 77 29.911 5.944 35.529 1307 HD1 HIS 77 HD1 HIS 77 31.659 3.215 33.843 1308 HD2 HIS 77 HD2 HIS 77 27.745 4.649 33.944 1309 HE1 HIS 77 HE1 HIS 77 30.194 1.367 32.919 1310 HE2 HIS 77 HE2 HIS 77 27.805 2.225 32.975 1311 H HIS 78 HN HIS 78 29.570 8.539 35.132 1312 HA HIS 78 HA HIS 78 31.569 10.536 34.722 1313 1HB HIS 78 HB2 HIS 78 30.440 11.675 36.641 1314 2HB HIS 78 HB1 HIS 78 29.325 11.185 35.366 1315 HD1 HIS 78 HD1 HIS 78 30.450 10.216 38.841 1316 HD2 HIS 78 HD2 HIS 78 27.449 9.223 36.122 1317 HE1 HIS 78 HE1 HIS 78 28.804 8.754 40.092 1318 HE2 HIS 78 HE2 HIS 78 26.969 8.140 38.448 1319 H HIS 79 HN HIS 79 33.476 10.802 35.687 1320 HA HIS 79 HA HIS 79 34.425 8.862 37.606 1321 1HB HIS 79 HB2 HIS 79 35.724 11.376 36.528 1322 2HB HIS 79 HB1 HIS 79 36.533 10.132 37.481 1323 HD1 HIS 79 HD1 HIS 79 36.450 7.635 36.363 1324 HD2 HIS 79 HD2 HIS 79 35.688 10.840 33.809 1325 HE1 HIS 79 HE1 HIS 79 36.743 6.758 34.005 1326 HE2 HIS 79 HE2 HIS 79 36.282 8.700 32.436 1327 H HIS 80 HN HIS 80 34.802 9.132 39.757 1328 HA HIS 80 HA HIS 80 34.468 9.955 41.876 1329 1HB HIS 80 HB2 HIS 80 36.292 11.458 41.097 1330 2HB HIS 80 HB1 HIS 80 35.074 12.606 40.543 1331 HD1 HIS 80 HD1 HIS 80 34.263 14.257 42.243 1332 HD2 HIS 80 HD2 HIS 80 36.052 10.945 44.036 1333 HE1 HIS 80 HE1 HIS 80 34.336 14.739 44.728 1334 HE2 HIS 80 HE2 HIS 80 35.424 12.729 45.835 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -4.906 1.582 -5.332 2 2H MET 1 HT2 MET 1 -4.851 2.497 -3.901 3 3H MET 1 HT3 MET 1 -6.062 1.323 -4.119 4 HA MET 1 HA MET 1 -4.519 0.337 -2.679 5 1HB MET 1 HB2 MET 1 -4.007 -0.527 -5.541 6 2HB MET 1 HB1 MET 1 -3.514 -1.454 -4.123 7 1HG MET 1 HG2 MET 1 -5.874 -1.559 -3.383 8 2HG MET 1 HG1 MET 1 -6.357 -0.664 -4.823 9 1HE MET 1 HE1 MET 1 -7.713 -4.167 -5.566 10 2HE MET 1 HE2 MET 1 -7.966 -2.470 -5.966 11 3HE MET 1 HE3 MET 1 -7.827 -2.960 -4.279 12 H SER 2 HN SER 2 -2.192 -0.462 -2.486 13 HA SER 2 HA SER 2 0.064 -0.027 -2.330 14 1HB SER 2 HB2 SER 2 -0.325 0.298 -4.920 15 2HB SER 2 HB1 SER 2 -0.072 2.000 -4.556 16 HG SER 2 HG SER 2 1.675 0.013 -3.576 17 H GLU 3 HN GLU 3 -1.623 2.996 -3.212 18 HA GLU 3 HA GLU 3 -1.573 5.092 -2.283 19 1HB GLU 3 HB2 GLU 3 -1.281 3.382 0.204 20 2HB GLU 3 HB1 GLU 3 -1.591 5.116 0.228 21 1HG GLU 3 HG2 GLU 3 -3.654 4.809 -1.017 22 2HG GLU 3 HG1 GLU 3 -3.337 3.082 -1.165 23 H LEU 4 HN LEU 4 0.350 5.833 -3.226 24 HA LEU 4 HA LEU 4 2.380 6.571 -1.403 25 1HB LEU 4 HB2 LEU 4 2.764 3.987 -2.316 26 2HB LEU 4 HB1 LEU 4 3.709 4.891 -3.483 27 HG LEU 4 HG LEU 4 3.989 5.088 -0.464 28 1HD1 LEU 4 HD11 LEU 4 6.067 3.862 -0.775 29 2HD1 LEU 4 HD12 LEU 4 5.822 3.824 -2.522 30 3HD1 LEU 4 HD13 LEU 4 4.736 2.928 -1.458 31 1HD2 LEU 4 HD21 LEU 4 5.417 6.442 -2.778 32 2HD2 LEU 4 HD22 LEU 4 6.156 6.305 -1.185 33 3HD2 LEU 4 HD23 LEU 4 4.652 7.195 -1.379 34 H PHE 5 HN PHE 5 1.019 6.420 -4.545 35 HA PHE 5 HA PHE 5 2.890 7.956 -5.986 36 1HB PHE 5 HB2 PHE 5 -0.111 7.680 -6.301 37 2HB PHE 5 HB1 PHE 5 0.940 8.475 -7.476 38 HD1 PHE 5 HD2 PHE 5 2.606 7.193 -8.762 39 HD2 PHE 5 HD1 PHE 5 -0.048 5.253 -5.997 40 HE1 PHE 5 HE2 PHE 5 3.179 4.994 -9.754 41 HE2 PHE 5 HE1 PHE 5 0.526 3.054 -6.990 42 HZ PHE 5 HZ PHE 5 2.139 2.924 -8.868 43 H SER 6 HN SER 6 0.032 8.873 -4.110 44 HA SER 6 HA SER 6 0.410 11.691 -4.592 45 1HB SER 6 HB2 SER 6 -1.259 10.558 -2.341 46 2HB SER 6 HB1 SER 6 -1.539 11.995 -3.322 47 HG SER 6 HG SER 6 -2.084 9.328 -3.841 48 H VAL 7 HN VAL 7 1.600 13.095 -3.460 49 HA VAL 7 HA VAL 7 3.463 12.244 -1.505 50 HB VAL 7 HB VAL 7 2.543 15.055 -2.139 51 1HG1 VAL 7 HG11 VAL 7 4.825 15.654 -1.274 52 2HG1 VAL 7 HG12 VAL 7 4.978 13.992 -0.699 53 3HG1 VAL 7 HG13 VAL 7 3.723 15.040 -0.042 54 1HG2 VAL 7 HG21 VAL 7 4.770 13.373 -3.299 55 2HG2 VAL 7 HG22 VAL 7 4.571 15.103 -3.585 56 3HG2 VAL 7 HG23 VAL 7 3.343 13.969 -4.145 57 HA PRO 8 HA PRO 8 0.383 14.701 1.514 58 1HB PRO 8 HB2 PRO 8 -2.266 13.881 0.796 59 2HB PRO 8 HB1 PRO 8 -1.577 15.501 0.584 60 1HG PRO 8 HG2 PRO 8 -1.754 13.253 -1.378 61 2HG PRO 8 HG1 PRO 8 -1.994 14.991 -1.643 62 1HD PRO 8 HD2 PRO 8 0.262 13.919 -2.432 63 2HD PRO 8 HD1 PRO 8 0.328 15.444 -1.552 64 H TYR 9 HN TYR 9 0.121 11.543 0.056 65 HA TYR 9 HA TYR 9 -1.177 10.194 2.162 66 1HB TYR 9 HB2 TYR 9 -0.901 9.191 -0.043 67 2HB TYR 9 HB1 TYR 9 0.848 9.181 0.155 68 HD1 TYR 9 HD1 TYR 9 -2.243 8.068 1.971 69 HD2 TYR 9 HD2 TYR 9 1.832 7.167 0.942 70 HE1 TYR 9 HE1 TYR 9 -2.430 5.885 3.131 71 HE2 TYR 9 HE2 TYR 9 1.641 4.986 2.098 72 HH TYR 9 HH TYR 9 -0.374 4.236 4.279 73 H PHE 10 HN PHE 10 2.253 10.821 1.517 74 HA PHE 10 HA PHE 10 3.276 9.341 3.690 75 1HB PHE 10 HB2 PHE 10 4.298 11.254 1.708 76 2HB PHE 10 HB1 PHE 10 5.069 11.513 3.265 77 HD1 PHE 10 HD1 PHE 10 3.861 8.455 1.431 78 HD2 PHE 10 HD2 PHE 10 7.179 10.437 3.310 79 HE1 PHE 10 HE1 PHE 10 5.283 6.467 1.022 80 HE2 PHE 10 HE2 PHE 10 8.596 8.446 2.894 81 HZ PHE 10 HZ PHE 10 7.659 6.469 1.755 82 H ILE 11 HN ILE 11 2.219 12.712 3.429 83 HA ILE 11 HA ILE 11 3.076 13.553 5.952 84 HB ILE 11 HB ILE 11 0.604 14.488 4.494 85 1HG1 ILE 11 HG12 ILE 11 3.518 15.316 4.199 86 2HG1 ILE 11 HG11 ILE 11 2.552 14.485 2.987 87 1HG2 ILE 11 HG21 ILE 11 0.974 15.258 6.888 88 2HG2 ILE 11 HG22 ILE 11 0.947 16.546 5.704 89 3HG2 ILE 11 HG23 ILE 11 2.486 15.984 6.350 90 1HD1 ILE 11 HD11 ILE 11 0.946 16.471 3.091 91 2HD1 ILE 11 HD12 ILE 11 2.523 16.786 2.367 92 3HD1 ILE 11 HD13 ILE 11 2.197 17.297 4.023 93 H GLU 12 HN GLU 12 0.019 12.090 4.908 94 HA GLU 12 HA GLU 12 -1.419 12.250 7.284 95 1HB GLU 12 HB2 GLU 12 -1.377 10.098 5.161 96 2HB GLU 12 HB1 GLU 12 -2.542 10.109 6.484 97 1HG GLU 12 HG2 GLU 12 -3.371 12.293 5.779 98 2HG GLU 12 HG1 GLU 12 -2.154 12.379 4.514 99 H ASN 13 HN ASN 13 1.347 10.295 6.533 100 HA ASN 13 HA ASN 13 0.995 8.281 8.506 101 1HB ASN 13 HB2 ASN 13 2.617 8.226 6.549 102 2HB ASN 13 HB1 ASN 13 3.647 9.314 7.476 103 1HD2 ASN 13 HD21 ASN 13 2.409 6.013 7.302 104 2HD2 ASN 13 HD22 ASN 13 3.425 5.382 8.509 105 H LEU 14 HN LEU 14 2.491 11.470 8.536 106 HA LEU 14 HA LEU 14 3.577 11.230 11.188 107 1HB LEU 14 HB2 LEU 14 3.040 13.650 9.451 108 2HB LEU 14 HB1 LEU 14 3.876 13.695 10.996 109 HG LEU 14 HG LEU 14 5.331 11.708 9.722 110 1HD1 LEU 14 HD11 LEU 14 4.729 13.728 7.555 111 2HD1 LEU 14 HD12 LEU 14 3.975 12.133 7.629 112 3HD1 LEU 14 HD13 LEU 14 5.715 12.277 7.434 113 1HD2 LEU 14 HD21 LEU 14 5.853 14.682 9.452 114 2HD2 LEU 14 HD22 LEU 14 7.051 13.402 9.324 115 3HD2 LEU 14 HD23 LEU 14 6.256 13.707 10.863 116 H LYS 15 HN LYS 15 0.608 12.509 9.795 117 HA LYS 15 HA LYS 15 -0.378 13.912 11.949 118 1HB LYS 15 HB2 LYS 15 -1.370 13.601 9.589 119 2HB LYS 15 HB1 LYS 15 -2.135 12.152 10.229 120 1HG LYS 15 HG2 LYS 15 -3.824 13.697 10.715 121 2HG LYS 15 HG1 LYS 15 -2.888 13.845 12.198 122 1HD LYS 15 HD2 LYS 15 -1.655 15.766 11.172 123 2HD LYS 15 HD1 LYS 15 -2.693 15.636 9.759 124 1HE LYS 15 HE2 LYS 15 -4.675 16.022 11.163 125 2HE LYS 15 HE1 LYS 15 -3.642 16.147 12.589 126 1HZ LYS 15 HZ1 LYS 15 -3.338 18.270 12.117 127 2HZ LYS 15 HZ2 LYS 15 -4.271 18.133 10.703 128 3HZ LYS 15 HZ3 LYS 15 -2.597 17.843 10.653 129 H GLN 16 HN GLN 16 -0.228 10.458 11.403 130 HA GLN 16 HA GLN 16 -1.979 9.672 13.518 131 1HB GLN 16 HB2 GLN 16 -1.350 8.209 11.606 132 2HB GLN 16 HB1 GLN 16 0.285 8.107 12.259 133 1HG GLN 16 HG2 GLN 16 -0.556 7.090 14.314 134 2HG GLN 16 HG1 GLN 16 -2.215 7.297 13.767 135 1HE2 GLN 16 HE21 GLN 16 -1.171 4.719 14.415 136 2HE2 GLN 16 HE22 GLN 16 -1.087 3.806 12.987 137 H HIS 17 HN HIS 17 1.450 10.399 13.316 138 HA HIS 17 HA HIS 17 2.211 9.298 15.806 139 1HB HIS 17 HB2 HIS 17 3.394 11.656 14.309 140 2HB HIS 17 HB1 HIS 17 4.173 10.789 15.626 141 HD1 HIS 17 HD1 HIS 17 5.774 10.629 13.171 142 HD2 HIS 17 HD2 HIS 17 2.588 8.014 13.796 143 HE1 HIS 17 HE1 HIS 17 6.195 8.620 11.688 144 HE2 HIS 17 HE2 HIS 17 4.261 7.016 12.057 145 H ILE 18 HN ILE 18 1.351 12.645 14.915 146 HA ILE 18 HA ILE 18 1.402 13.579 17.634 147 HB ILE 18 HB ILE 18 0.540 15.656 16.722 148 1HG1 ILE 18 HG12 ILE 18 0.049 13.995 14.238 149 2HG1 ILE 18 HG11 ILE 18 -1.142 14.898 15.165 150 1HG2 ILE 18 HG21 ILE 18 2.492 14.545 14.678 151 2HG2 ILE 18 HG22 ILE 18 2.970 14.880 16.338 152 3HG2 ILE 18 HG23 ILE 18 2.396 16.186 15.319 153 1HD1 ILE 18 HD11 ILE 18 -0.744 16.272 13.305 154 2HD1 ILE 18 HD12 ILE 18 0.989 15.965 13.330 155 3HD1 ILE 18 HD13 ILE 18 0.257 16.991 14.565 156 H GLU 19 HN GLU 19 -1.171 12.759 15.329 157 HA GLU 19 HA GLU 19 -3.326 13.384 17.073 158 1HB GLU 19 HB2 GLU 19 -3.502 13.167 14.574 159 2HB GLU 19 HB1 GLU 19 -3.331 11.421 14.766 160 1HG GLU 19 HG2 GLU 19 -5.341 11.332 16.138 161 2HG GLU 19 HG1 GLU 19 -5.500 13.085 16.068 162 H MET 20 HN MET 20 -1.505 10.447 16.388 163 HA MET 20 HA MET 20 -2.959 9.036 18.559 164 1HB MET 20 HB2 MET 20 -2.572 8.235 15.931 165 2HB MET 20 HB1 MET 20 -1.280 7.380 16.750 166 1HG MET 20 HG2 MET 20 -2.953 6.505 18.388 167 2HG MET 20 HG1 MET 20 -4.229 7.291 17.461 168 1HE MET 20 HE1 MET 20 -5.521 6.009 15.577 169 2HE MET 20 HE2 MET 20 -4.526 5.483 14.222 170 3HE MET 20 HE3 MET 20 -4.305 7.094 14.892 171 H ASN 21 HN ASN 21 -1.154 6.991 18.924 172 HA ASN 21 HA ASN 21 1.437 8.128 19.618 173 1HB ASN 21 HB2 ASN 21 -0.040 8.815 21.496 174 2HB ASN 21 HB1 ASN 21 -0.436 7.118 21.771 175 1HD2 ASN 21 HD21 ASN 21 2.474 9.232 21.471 176 2HD2 ASN 21 HD22 ASN 21 3.376 8.396 22.641 177 H GLN 22 HN GLN 22 0.823 6.096 17.827 178 HA GLN 22 HA GLN 22 0.782 3.491 18.831 179 1HB GLN 22 HB2 GLN 22 0.521 4.091 16.426 180 2HB GLN 22 HB1 GLN 22 2.245 4.455 16.358 181 1HG GLN 22 HG2 GLN 22 2.807 2.154 16.912 182 2HG GLN 22 HG1 GLN 22 1.108 1.764 17.173 183 1HE2 GLN 22 HE21 GLN 22 3.054 3.313 14.542 184 2HE2 GLN 22 HE22 GLN 22 2.307 2.442 13.292 185 H SER 23 HN SER 23 3.550 5.589 18.094 186 HA SER 23 HA SER 23 5.163 4.718 20.203 187 1HB SER 23 HB2 SER 23 5.445 2.545 19.320 188 2HB SER 23 HB1 SER 23 5.445 3.124 17.659 189 HG SER 23 HG SER 23 7.461 3.468 19.633 190 H GLU 24 HN GLU 24 5.023 7.153 19.706 191 HA GLU 24 HA GLU 24 7.571 7.941 18.614 192 1HB GLU 24 HB2 GLU 24 5.870 7.723 16.620 193 2HB GLU 24 HB1 GLU 24 5.189 9.217 17.238 194 1HG GLU 24 HG2 GLU 24 6.816 9.892 15.612 195 2HG GLU 24 HG1 GLU 24 7.580 10.171 17.175 196 H ASP 25 HN ASP 25 6.027 10.640 18.098 197 HA ASP 25 HA ASP 25 5.364 11.475 20.813 198 1HB ASP 25 HB2 ASP 25 7.813 12.526 19.366 199 2HB ASP 25 HB1 ASP 25 7.118 13.242 20.826 200 H LYS 26 HN LYS 26 5.526 14.155 20.541 201 HA LYS 26 HA LYS 26 3.381 14.681 18.651 202 1HB LYS 26 HB2 LYS 26 3.457 15.646 20.953 203 2HB LYS 26 HB1 LYS 26 4.834 16.622 20.469 204 1HG LYS 26 HG2 LYS 26 3.457 17.665 18.682 205 2HG LYS 26 HG1 LYS 26 2.088 16.666 19.165 206 1HD LYS 26 HD2 LYS 26 2.127 17.697 21.409 207 2HD LYS 26 HD1 LYS 26 3.500 18.697 20.928 208 1HE LYS 26 HE2 LYS 26 1.381 19.949 20.727 209 2HE LYS 26 HE1 LYS 26 2.139 19.724 19.150 210 1HZ LYS 26 HZ1 LYS 26 -0.330 19.220 19.350 211 2HZ LYS 26 HZ2 LYS 26 0.136 17.815 20.185 212 3HZ LYS 26 HZ3 LYS 26 0.639 18.061 18.581 213 H ILE 27 HN ILE 27 5.545 17.296 19.051 214 HA ILE 27 HA ILE 27 5.878 17.666 16.268 215 HB ILE 27 HB ILE 27 5.917 19.456 17.990 216 1HG1 ILE 27 HG12 ILE 27 8.470 19.419 16.346 217 2HG1 ILE 27 HG11 ILE 27 6.885 19.670 15.624 218 1HG2 ILE 27 HG21 ILE 27 8.769 18.563 18.521 219 2HG2 ILE 27 HG22 ILE 27 7.419 18.154 19.580 220 3HG2 ILE 27 HG23 ILE 27 7.870 19.840 19.337 221 1HD1 ILE 27 HD11 ILE 27 8.479 21.667 16.587 222 2HD1 ILE 27 HD12 ILE 27 7.405 21.408 17.953 223 3HD1 ILE 27 HD13 ILE 27 6.736 21.785 16.362 224 H HIS 28 HN HIS 28 7.875 16.193 18.757 225 HA HIS 28 HA HIS 28 10.242 15.957 17.204 226 1HB HIS 28 HB2 HIS 28 9.257 14.403 19.606 227 2HB HIS 28 HB1 HIS 28 10.876 14.256 18.926 228 HD1 HIS 28 HD1 HIS 28 12.216 16.661 18.775 229 HD2 HIS 28 HD2 HIS 28 9.042 16.437 21.469 230 HE1 HIS 28 HE1 HIS 28 12.516 18.581 20.400 231 HE2 HIS 28 HE2 HIS 28 10.590 18.458 22.049 232 H ALA 29 HN ALA 29 7.437 14.855 16.294 233 HA ALA 29 HA ALA 29 7.958 12.063 15.781 234 1HB ALA 29 HB1 ALA 29 5.891 12.189 14.437 235 2HB ALA 29 HB2 ALA 29 5.855 13.936 14.680 236 3HB ALA 29 HB3 ALA 29 5.673 12.851 16.053 237 H MET 30 HN MET 30 7.943 15.050 13.876 238 HA MET 30 HA MET 30 8.569 13.885 11.399 239 1HB MET 30 HB2 MET 30 9.264 16.135 10.733 240 2HB MET 30 HB1 MET 30 7.759 16.198 11.644 241 1HG MET 30 HG2 MET 30 8.944 17.895 12.739 242 2HG MET 30 HG1 MET 30 9.440 16.528 13.718 243 1HE MET 30 HE1 MET 30 12.557 18.857 13.458 244 2HE MET 30 HE2 MET 30 11.265 18.223 14.476 245 3HE MET 30 HE3 MET 30 10.897 19.434 13.250 246 H ASN 31 HN ASN 31 10.656 15.184 13.973 247 HA ASN 31 HA ASN 31 13.112 15.045 12.718 248 1HB ASN 31 HB2 ASN 31 12.781 15.900 15.008 249 2HB ASN 31 HB1 ASN 31 12.483 14.260 15.576 250 1HD2 ASN 31 HD21 ASN 31 15.013 16.215 13.919 251 2HD2 ASN 31 HD22 ASN 31 16.316 15.334 14.559 252 H SER 32 HN SER 32 11.274 12.414 14.243 253 HA SER 32 HA SER 32 13.330 10.430 13.718 254 1HB SER 32 HB2 SER 32 11.958 9.944 15.581 255 2HB SER 32 HB1 SER 32 10.488 10.358 14.702 256 HG SER 32 HG SER 32 11.691 7.990 14.925 257 H TYR 33 HN TYR 33 10.018 10.947 12.457 258 HA TYR 33 HA TYR 33 10.119 9.009 10.428 259 1HB TYR 33 HB2 TYR 33 8.038 10.087 11.203 260 2HB TYR 33 HB1 TYR 33 8.563 11.613 10.488 261 HD1 TYR 33 HD1 TYR 33 7.559 8.115 9.764 262 HD2 TYR 33 HD2 TYR 33 8.458 11.966 8.090 263 HE1 TYR 33 HE1 TYR 33 6.669 7.367 7.571 264 HE2 TYR 33 HE2 TYR 33 7.570 11.219 5.895 265 HH TYR 33 HH TYR 33 6.992 8.004 5.143 266 H TYR 34 HN TYR 34 10.756 12.512 10.275 267 HA TYR 34 HA TYR 34 11.347 12.745 7.566 268 1HB TYR 34 HB2 TYR 34 11.125 14.651 9.190 269 2HB TYR 34 HB1 TYR 34 12.722 14.245 9.816 270 HD1 TYR 34 HD2 TYR 34 10.916 15.019 6.643 271 HD2 TYR 34 HD1 TYR 34 14.646 15.208 8.769 272 HE1 TYR 34 HE2 TYR 34 11.917 16.313 4.778 273 HE2 TYR 34 HE1 TYR 34 15.642 16.506 6.908 274 HH TYR 34 HH TYR 34 15.158 16.720 4.356 275 H ARG 35 HN ARG 35 13.495 11.903 10.281 276 HA ARG 35 HA ARG 35 15.836 11.647 8.655 277 1HB ARG 35 HB2 ARG 35 15.890 12.062 11.114 278 2HB ARG 35 HB1 ARG 35 15.282 10.426 11.371 279 1HG ARG 35 HG2 ARG 35 17.256 9.488 10.242 280 2HG ARG 35 HG1 ARG 35 17.853 11.115 9.911 281 1HD ARG 35 HD2 ARG 35 18.993 10.247 11.871 282 2HD ARG 35 HD1 ARG 35 17.905 11.540 12.369 283 HE ARG 35 HE ARG 35 16.647 9.977 13.546 284 1HH1 ARG 35 HH21 ARG 35 18.781 8.425 11.308 285 2HH1 ARG 35 HH22 ARG 35 18.461 6.829 11.898 286 1HH2 ARG 35 HH11 ARG 35 16.226 7.888 14.329 287 2HH2 ARG 35 HH12 ARG 35 17.015 6.525 13.609 288 H SER 36 HN SER 36 13.201 9.534 9.535 289 HA SER 36 HA SER 36 14.487 7.065 8.886 290 1HB SER 36 HB2 SER 36 11.531 7.716 8.891 291 2HB SER 36 HB1 SER 36 12.247 6.111 8.934 292 HG SER 36 HG SER 36 13.394 7.464 10.853 293 H VAL 37 HN VAL 37 12.248 9.181 7.104 294 HA VAL 37 HA VAL 37 12.311 7.603 4.712 295 HB VAL 37 HB VAL 37 11.454 10.468 5.207 296 1HG1 VAL 37 HG11 VAL 37 11.192 8.708 2.747 297 2HG1 VAL 37 HG12 VAL 37 11.968 10.283 2.863 298 3HG1 VAL 37 HG13 VAL 37 10.225 10.165 3.004 299 1HG2 VAL 37 HG21 VAL 37 10.073 8.859 6.387 300 2HG2 VAL 37 HG22 VAL 37 9.945 7.848 4.944 301 3HG2 VAL 37 HG23 VAL 37 9.179 9.432 4.982 302 H VAL 38 HN VAL 38 13.937 10.585 5.749 303 HA VAL 38 HA VAL 38 15.279 11.188 3.375 304 HB VAL 38 HB VAL 38 16.075 11.625 6.262 305 1HG1 VAL 38 HG11 VAL 38 17.625 13.434 5.193 306 2HG1 VAL 38 HG12 VAL 38 17.469 12.489 3.714 307 3HG1 VAL 38 HG13 VAL 38 18.168 11.758 5.152 308 1HG2 VAL 38 HG21 VAL 38 15.032 13.711 6.090 309 2HG2 VAL 38 HG22 VAL 38 13.995 12.776 5.023 310 3HG2 VAL 38 HG23 VAL 38 15.243 13.810 4.351 311 H SER 39 HN SER 39 16.224 9.015 6.024 312 HA SER 39 HA SER 39 18.777 8.370 5.015 313 1HB SER 39 HB2 SER 39 18.612 6.421 6.513 314 2HB SER 39 HB1 SER 39 18.140 7.914 7.315 315 HG SER 39 HG SER 39 16.023 7.339 7.122 316 H THR 40 HN THR 40 15.573 7.312 4.202 317 HA THR 40 HA THR 40 16.478 4.959 2.743 318 HB THR 40 HB THR 40 13.757 6.281 2.883 319 HG1 THR 40 HG1 THR 40 15.105 4.908 4.644 320 1HG2 THR 40 HG21 THR 40 14.728 3.671 1.685 321 2HG2 THR 40 HG22 THR 40 13.870 4.979 0.866 322 3HG2 THR 40 HG23 THR 40 13.034 3.985 2.059 323 H LEU 41 HN LEU 41 15.143 8.170 1.990 324 HA LEU 41 HA LEU 41 15.083 7.895 -0.801 325 1HB LEU 41 HB2 LEU 41 15.455 10.350 0.921 326 2HB LEU 41 HB1 LEU 41 15.182 10.416 -0.818 327 HG LEU 41 HG LEU 41 13.311 9.160 1.214 328 1HD1 LEU 41 HD11 LEU 41 13.349 11.577 1.435 329 2HD1 LEU 41 HD12 LEU 41 11.843 11.106 0.640 330 3HD1 LEU 41 HD13 LEU 41 13.167 11.781 -0.305 331 1HD2 LEU 41 HD21 LEU 41 13.293 9.245 -1.799 332 2HD2 LEU 41 HD22 LEU 41 11.746 9.423 -0.972 333 3HD2 LEU 41 HD23 LEU 41 12.722 7.986 -0.707 334 H VAL 42 HN VAL 42 17.658 9.040 1.327 335 HA VAL 42 HA VAL 42 19.454 9.661 -0.808 336 HB VAL 42 HB VAL 42 19.493 10.510 1.623 337 1HG1 VAL 42 HG11 VAL 42 20.620 9.222 3.286 338 2HG1 VAL 42 HG12 VAL 42 21.203 8.051 2.106 339 3HG1 VAL 42 HG13 VAL 42 19.496 8.094 2.535 340 1HG2 VAL 42 HG21 VAL 42 21.987 10.708 1.546 341 2HG2 VAL 42 HG22 VAL 42 21.219 11.064 -0.008 342 3HG2 VAL 42 HG23 VAL 42 22.008 9.505 0.256 343 H GLN 43 HN GLN 43 18.659 6.769 0.944 344 HA GLN 43 HA GLN 43 21.011 5.279 0.037 345 1HB GLN 43 HB2 GLN 43 18.591 4.607 1.714 346 2HB GLN 43 HB1 GLN 43 19.703 3.352 1.173 347 1HG GLN 43 HG2 GLN 43 21.555 4.421 2.298 348 2HG GLN 43 HG1 GLN 43 20.571 5.818 2.709 349 1HE2 GLN 43 HE21 GLN 43 20.190 5.706 4.935 350 2HE2 GLN 43 HE22 GLN 43 19.713 4.305 5.765 351 H ASP 44 HN ASP 44 17.678 5.758 -0.863 352 HA ASP 44 HA ASP 44 16.762 3.727 -2.285 353 1HB ASP 44 HB2 ASP 44 17.095 6.567 -3.271 354 2HB ASP 44 HB1 ASP 44 16.274 5.365 -4.262 355 H GLN 45 HN GLN 45 18.731 5.817 -4.349 356 HA GLN 45 HA GLN 45 20.553 3.643 -5.045 357 1HB GLN 45 HB2 GLN 45 19.924 3.733 -7.452 358 2HB GLN 45 HB1 GLN 45 18.656 3.071 -6.420 359 1HG GLN 45 HG2 GLN 45 17.522 5.264 -6.371 360 2HG GLN 45 HG1 GLN 45 18.784 5.960 -7.385 361 1HE2 GLN 45 HE21 GLN 45 19.184 4.244 -9.418 362 2HE2 GLN 45 HE22 GLN 45 17.746 3.856 -10.234 363 H LEU 46 HN LEU 46 20.070 6.729 -4.350 364 HA LEU 46 HA LEU 46 20.899 8.780 -5.110 365 1HB LEU 46 HB2 LEU 46 22.593 7.310 -3.573 366 2HB LEU 46 HB1 LEU 46 23.632 7.545 -4.968 367 HG LEU 46 HG LEU 46 22.232 9.773 -3.451 368 1HD1 LEU 46 HD11 LEU 46 23.976 8.715 -2.091 369 2HD1 LEU 46 HD12 LEU 46 24.514 10.306 -2.631 370 3HD1 LEU 46 HD13 LEU 46 25.123 8.854 -3.424 371 1HD2 LEU 46 HD21 LEU 46 23.798 11.214 -4.770 372 2HD2 LEU 46 HD22 LEU 46 22.640 10.363 -5.784 373 3HD2 LEU 46 HD23 LEU 46 24.304 9.788 -5.670 374 H THR 47 HN THR 47 20.104 7.369 -7.361 375 HA THR 47 HA THR 47 22.064 7.020 -9.320 376 HB THR 47 HB THR 47 19.795 6.128 -9.539 377 HG1 THR 47 HG1 THR 47 21.234 7.204 -11.371 378 1HG2 THR 47 HG21 THR 47 17.902 7.544 -9.938 379 2HG2 THR 47 HG22 THR 47 18.930 8.969 -10.084 380 3HG2 THR 47 HG23 THR 47 18.714 8.198 -8.513 381 H LYS 48 HN LYS 48 20.442 9.843 -8.135 382 HA LYS 48 HA LYS 48 22.309 11.544 -9.531 383 1HB LYS 48 HB2 LYS 48 20.442 11.094 -11.181 384 2HB LYS 48 HB1 LYS 48 19.359 11.892 -10.057 385 1HG LYS 48 HG2 LYS 48 19.944 13.684 -11.447 386 2HG LYS 48 HG1 LYS 48 21.128 13.869 -10.165 387 1HD LYS 48 HD2 LYS 48 22.758 12.555 -11.554 388 2HD LYS 48 HD1 LYS 48 21.559 12.504 -12.840 389 1HE LYS 48 HE2 LYS 48 21.536 14.964 -12.912 390 2HE LYS 48 HE1 LYS 48 22.745 15.006 -11.624 391 1HZ LYS 48 HZ1 LYS 48 24.377 14.328 -13.000 392 2HZ LYS 48 HZ2 LYS 48 23.380 15.017 -14.191 393 3HZ LYS 48 HZ3 LYS 48 23.357 13.339 -13.926 394 H ASN 49 HN ASN 49 22.840 13.138 -8.201 395 HA ASN 49 HA ASN 49 21.904 13.537 -5.663 396 1HB ASN 49 HB2 ASN 49 22.849 15.795 -5.774 397 2HB ASN 49 HB1 ASN 49 23.927 14.603 -6.499 398 1HD2 ASN 49 HD21 ASN 49 24.603 15.021 -8.609 399 2HD2 ASN 49 HD22 ASN 49 23.902 16.176 -9.636 400 H ALA 50 HN ALA 50 20.629 14.882 -8.680 401 HA ALA 50 HA ALA 50 18.821 16.727 -7.517 402 1HB ALA 50 HB1 ALA 50 18.708 15.328 -10.189 403 2HB ALA 50 HB2 ALA 50 19.426 16.905 -9.857 404 3HB ALA 50 HB3 ALA 50 17.683 16.681 -9.710 405 H VAL 51 HN VAL 51 18.373 13.403 -8.721 406 HA VAL 51 HA VAL 51 15.638 13.116 -8.238 407 HB VAL 51 HB VAL 51 17.918 11.141 -8.145 408 1HG1 VAL 51 HG11 VAL 51 14.983 10.627 -7.567 409 2HG1 VAL 51 HG12 VAL 51 16.393 10.068 -6.664 410 3HG1 VAL 51 HG13 VAL 51 16.019 9.359 -8.230 411 1HG2 VAL 51 HG21 VAL 51 17.114 10.459 -10.292 412 2HG2 VAL 51 HG22 VAL 51 17.048 12.220 -10.322 413 3HG2 VAL 51 HG23 VAL 51 15.576 11.288 -10.069 414 H VAL 52 HN VAL 52 18.336 12.567 -5.982 415 HA VAL 52 HA VAL 52 16.551 11.930 -3.788 416 HB VAL 52 HB VAL 52 18.651 11.938 -2.431 417 1HG1 VAL 52 HG11 VAL 52 18.889 10.433 -5.057 418 2HG1 VAL 52 HG12 VAL 52 17.849 9.936 -3.723 419 3HG1 VAL 52 HG13 VAL 52 19.596 9.974 -3.508 420 1HG2 VAL 52 HG21 VAL 52 19.856 12.755 -5.089 421 2HG2 VAL 52 HG22 VAL 52 20.801 12.144 -3.744 422 3HG2 VAL 52 HG23 VAL 52 19.927 13.662 -3.586 423 H LEU 53 HN LEU 53 18.490 14.705 -4.812 424 HA LEU 53 HA LEU 53 18.022 16.267 -2.495 425 1HB LEU 53 HB2 LEU 53 19.812 16.833 -4.067 426 2HB LEU 53 HB1 LEU 53 18.632 17.135 -5.324 427 HG LEU 53 HG LEU 53 17.718 19.028 -4.056 428 1HD1 LEU 53 HD11 LEU 53 19.201 19.760 -2.025 429 2HD1 LEU 53 HD12 LEU 53 19.683 18.065 -1.976 430 3HD1 LEU 53 HD13 LEU 53 17.985 18.512 -1.786 431 1HD2 LEU 53 HD21 LEU 53 19.660 19.315 -5.620 432 2HD2 LEU 53 HD22 LEU 53 20.734 19.207 -4.225 433 3HD2 LEU 53 HD23 LEU 53 19.581 20.535 -4.348 434 H LYS 54 HN LYS 54 16.401 16.224 -5.665 435 HA LYS 54 HA LYS 54 14.553 18.253 -5.139 436 1HB LYS 54 HB2 LYS 54 13.405 17.530 -7.088 437 2HB LYS 54 HB1 LYS 54 15.090 17.101 -7.376 438 1HG LYS 54 HG2 LYS 54 14.527 14.789 -6.477 439 2HG LYS 54 HG1 LYS 54 12.838 15.244 -6.525 440 1HD LYS 54 HD2 LYS 54 14.720 15.217 -8.893 441 2HD LYS 54 HD1 LYS 54 13.465 14.026 -8.555 442 1HE LYS 54 HE2 LYS 54 12.378 15.454 -10.063 443 2HE LYS 54 HE1 LYS 54 11.880 16.156 -8.523 444 1HZ LYS 54 HZ1 LYS 54 12.901 18.021 -9.078 445 2HZ LYS 54 HZ2 LYS 54 13.338 17.349 -10.577 446 3HZ LYS 54 HZ3 LYS 54 14.378 17.203 -9.243 447 H ARG 55 HN ARG 55 14.382 14.769 -4.626 448 HA ARG 55 HA ARG 55 11.721 14.675 -3.747 449 1HB ARG 55 HB2 ARG 55 13.212 12.724 -4.466 450 2HB ARG 55 HB1 ARG 55 13.935 12.807 -2.866 451 1HG ARG 55 HG2 ARG 55 12.241 11.240 -2.469 452 2HG ARG 55 HG1 ARG 55 11.389 12.713 -2.044 453 1HD ARG 55 HD2 ARG 55 10.510 12.782 -4.416 454 2HD ARG 55 HD1 ARG 55 11.260 11.214 -4.675 455 HE ARG 55 HE ARG 55 9.555 10.242 -3.443 456 1HH1 ARG 55 HH21 ARG 55 9.670 13.657 -2.903 457 2HH1 ARG 55 HH22 ARG 55 8.191 13.703 -2.002 458 1HH2 ARG 55 HH11 ARG 55 7.612 10.295 -2.271 459 2HH2 ARG 55 HH12 ARG 55 7.025 11.800 -1.645 460 H ILE 56 HN ILE 56 14.765 15.258 -2.097 461 HA ILE 56 HA ILE 56 13.710 15.126 0.532 462 HB ILE 56 HB ILE 56 16.207 16.392 -0.633 463 1HG1 ILE 56 HG12 ILE 56 15.781 13.777 -0.395 464 2HG1 ILE 56 HG11 ILE 56 17.335 14.444 0.089 465 1HG2 ILE 56 HG21 ILE 56 16.932 16.478 1.863 466 2HG2 ILE 56 HG22 ILE 56 15.211 16.381 2.237 467 3HG2 ILE 56 HG23 ILE 56 15.833 17.734 1.294 468 1HD1 ILE 56 HD11 ILE 56 16.176 12.787 1.681 469 2HD1 ILE 56 HD12 ILE 56 15.078 14.106 2.053 470 3HD1 ILE 56 HD13 ILE 56 16.798 14.285 2.368 471 H GLN 57 HN GLN 57 14.319 17.800 -1.703 472 HA GLN 57 HA GLN 57 13.600 19.894 0.003 473 1HB GLN 57 HB2 GLN 57 13.406 19.600 -3.002 474 2HB GLN 57 HB1 GLN 57 13.061 21.114 -2.162 475 1HG GLN 57 HG2 GLN 57 15.332 21.073 -1.179 476 2HG GLN 57 HG1 GLN 57 15.676 19.587 -2.054 477 1HE2 GLN 57 HE21 GLN 57 16.034 19.732 -4.370 478 2HE2 GLN 57 HE22 GLN 57 16.209 21.227 -5.153 479 H HIS 58 HN HIS 58 11.632 17.746 -1.986 480 HA HIS 58 HA HIS 58 9.181 19.172 -1.571 481 1HB HIS 58 HB2 HIS 58 9.685 16.301 -2.393 482 2HB HIS 58 HB1 HIS 58 8.136 17.138 -2.488 483 HD1 HIS 58 HD1 HIS 58 9.188 16.189 -5.123 484 HD2 HIS 58 HD2 HIS 58 10.293 19.883 -3.535 485 HE1 HIS 58 HE1 HIS 58 9.977 17.604 -7.071 486 HE2 HIS 58 HE2 HIS 58 10.649 19.858 -6.118 487 H LEU 59 HN LEU 59 10.708 16.331 -0.075 488 HA LEU 59 HA LEU 59 8.647 15.555 1.601 489 1HB LEU 59 HB2 LEU 59 10.817 14.338 1.304 490 2HB LEU 59 HB1 LEU 59 11.584 15.559 2.314 491 HG LEU 59 HG LEU 59 9.982 14.971 4.165 492 1HD1 LEU 59 HD11 LEU 59 9.020 12.972 2.120 493 2HD1 LEU 59 HD12 LEU 59 8.083 13.982 3.221 494 3HD1 LEU 59 HD13 LEU 59 8.931 12.575 3.836 495 1HD2 LEU 59 HD21 LEU 59 12.273 14.004 3.972 496 2HD2 LEU 59 HD22 LEU 59 11.576 12.611 3.151 497 3HD2 LEU 59 HD23 LEU 59 11.140 12.959 4.825 498 H ASP 60 HN ASP 60 10.846 18.256 1.881 499 HA ASP 60 HA ASP 60 10.654 18.903 4.570 500 1HB ASP 60 HB2 ASP 60 10.701 20.772 2.192 501 2HB ASP 60 HB1 ASP 60 10.998 21.261 3.856 502 H GLU 61 HN GLU 61 8.269 19.230 2.039 503 HA GLU 61 HA GLU 61 6.518 21.062 3.264 504 1HB GLU 61 HB2 GLU 61 4.927 20.390 1.642 505 2HB GLU 61 HB1 GLU 61 6.485 20.132 0.861 506 1HG GLU 61 HG2 GLU 61 6.299 17.684 1.763 507 2HG GLU 61 HG1 GLU 61 4.608 18.061 2.041 508 H ALA 62 HN ALA 62 6.999 17.614 3.713 509 HA ALA 62 HA ALA 62 4.604 17.145 5.201 510 1HB ALA 62 HB1 ALA 62 5.913 15.363 4.039 511 2HB ALA 62 HB2 ALA 62 5.599 14.999 5.733 512 3HB ALA 62 HB3 ALA 62 7.189 15.573 5.238 513 H TYR 63 HN TYR 63 8.018 17.371 6.213 514 HA TYR 63 HA TYR 63 7.620 17.267 8.944 515 1HB TYR 63 HB2 TYR 63 9.895 17.375 8.762 516 2HB TYR 63 HB1 TYR 63 9.767 18.037 7.137 517 HD1 TYR 63 HD1 TYR 63 9.742 18.934 10.748 518 HD2 TYR 63 HD2 TYR 63 10.117 20.391 6.735 519 HE1 TYR 63 HE1 TYR 63 10.425 21.147 11.620 520 HE2 TYR 63 HE2 TYR 63 10.790 22.613 7.605 521 HH TYR 63 HH TYR 63 11.954 23.368 10.050 522 H ASN 64 HN ASN 64 7.564 20.096 6.787 523 HA ASN 64 HA ASN 64 7.194 22.051 8.782 524 1HB ASN 64 HB2 ASN 64 7.910 22.612 6.497 525 2HB ASN 64 HB1 ASN 64 6.347 22.095 5.871 526 1HD2 ASN 64 HD21 ASN 64 8.028 24.682 7.563 527 2HD2 ASN 64 HD22 ASN 64 6.714 25.756 7.609 528 H LYS 65 HN LYS 65 4.982 20.008 6.984 529 HA LYS 65 HA LYS 65 2.601 21.314 7.592 530 1HB LYS 65 HB2 LYS 65 2.976 19.327 6.029 531 2HB LYS 65 HB1 LYS 65 2.898 18.300 7.446 532 1HG LYS 65 HG2 LYS 65 0.632 20.259 7.017 533 2HG LYS 65 HG1 LYS 65 0.704 18.861 5.970 534 1HD LYS 65 HD2 LYS 65 0.738 17.375 7.955 535 2HD LYS 65 HD1 LYS 65 0.641 18.778 9.005 536 1HE LYS 65 HE2 LYS 65 -1.585 17.837 8.683 537 2HE LYS 65 HE1 LYS 65 -1.486 19.424 7.918 538 1HZ LYS 65 HZ1 LYS 65 -1.496 18.533 5.839 539 2HZ LYS 65 HZ2 LYS 65 -2.441 17.370 6.640 540 3HZ LYS 65 HZ3 LYS 65 -0.798 17.066 6.326 541 H VAL 66 HN VAL 66 4.405 18.878 9.438 542 HA VAL 66 HA VAL 66 2.502 18.558 11.491 543 HB VAL 66 HB VAL 66 5.520 18.222 11.561 544 1HG1 VAL 66 HG11 VAL 66 4.959 16.676 13.505 545 2HG1 VAL 66 HG12 VAL 66 3.355 17.405 13.513 546 3HG1 VAL 66 HG13 VAL 66 4.776 18.397 13.840 547 1HG2 VAL 66 HG21 VAL 66 4.453 16.783 9.916 548 2HG2 VAL 66 HG22 VAL 66 3.222 16.300 11.084 549 3HG2 VAL 66 HG23 VAL 66 4.901 15.812 11.319 550 H LYS 67 HN LYS 67 5.375 20.628 11.284 551 HA LYS 67 HA LYS 67 5.040 21.853 13.805 552 1HB LYS 67 HB2 LYS 67 6.384 22.871 11.314 553 2HB LYS 67 HB1 LYS 67 6.583 23.527 12.928 554 1HG LYS 67 HG2 LYS 67 7.055 20.721 13.228 555 2HG LYS 67 HG1 LYS 67 7.863 21.158 11.737 556 1HD LYS 67 HD2 LYS 67 8.218 22.516 14.419 557 2HD LYS 67 HD1 LYS 67 9.343 21.361 13.716 558 1HE LYS 67 HE2 LYS 67 10.393 23.230 12.827 559 2HE LYS 67 HE1 LYS 67 9.052 23.301 11.685 560 1HZ LYS 67 HZ1 LYS 67 8.037 24.958 12.837 561 2HZ LYS 67 HZ2 LYS 67 9.649 25.312 13.243 562 3HZ LYS 67 HZ3 LYS 67 8.658 24.472 14.338 563 H ARG 68 HN ARG 68 4.048 22.796 10.554 564 HA ARG 68 HA ARG 68 3.010 25.314 11.162 565 1HB ARG 68 HB2 ARG 68 3.432 24.248 8.858 566 2HB ARG 68 HB1 ARG 68 1.877 23.453 9.057 567 1HG ARG 68 HG2 ARG 68 1.185 25.385 7.957 568 2HG ARG 68 HG1 ARG 68 1.062 25.945 9.613 569 1HD ARG 68 HD2 ARG 68 3.345 26.915 9.434 570 2HD ARG 68 HD1 ARG 68 3.415 26.391 7.755 571 HE ARG 68 HE ARG 68 1.933 28.653 8.809 572 1HH1 ARG 68 HH21 ARG 68 2.214 26.293 6.295 573 2HH1 ARG 68 HH22 ARG 68 1.403 27.258 5.108 574 1HH2 ARG 68 HH11 ARG 68 0.875 29.929 7.258 575 2HH2 ARG 68 HH12 ARG 68 0.645 29.318 5.654 576 H GLY 69 HN GLY 69 1.815 22.135 11.765 577 1HA GLY 69 HA2 GLY 69 -0.909 23.111 12.388 578 2HA GLY 69 HA1 GLY 69 -0.408 21.435 12.199 579 H GLU 70 HN GLU 70 2.061 22.206 13.837 580 HA GLU 70 HA GLU 70 0.802 21.825 16.502 581 1HB GLU 70 HB2 GLU 70 3.565 21.130 15.499 582 2HB GLU 70 HB1 GLU 70 2.968 20.839 17.126 583 1HG GLU 70 HG2 GLU 70 1.402 19.739 14.776 584 2HG GLU 70 HG1 GLU 70 2.851 18.899 15.309 585 H SER 71 HN SER 71 2.167 22.665 18.312 586 HA SER 71 HA SER 71 2.787 24.585 19.437 587 1HB SER 71 HB2 SER 71 4.951 25.377 18.838 588 2HB SER 71 HB1 SER 71 4.923 23.675 18.383 589 HG SER 71 HG SER 71 5.107 25.931 16.830 590 H LYS 72 HN LYS 72 0.974 25.891 19.226 591 HA LYS 72 HA LYS 72 0.391 27.435 16.903 592 1HB LYS 72 HB2 LYS 72 -0.478 27.733 19.784 593 2HB LYS 72 HB1 LYS 72 -1.132 28.689 18.458 594 1HG LYS 72 HG2 LYS 72 -1.875 26.635 17.324 595 2HG LYS 72 HG1 LYS 72 -1.218 25.661 18.634 596 1HD LYS 72 HD2 LYS 72 -3.245 27.831 19.261 597 2HD LYS 72 HD1 LYS 72 -3.798 26.281 18.637 598 1HE LYS 72 HE2 LYS 72 -2.058 26.608 21.106 599 2HE LYS 72 HE1 LYS 72 -3.799 26.348 21.125 600 1HZ LYS 72 HZ1 LYS 72 -1.660 24.488 20.551 601 2HZ LYS 72 HZ2 LYS 72 -2.992 24.394 19.500 602 3HZ LYS 72 HZ3 LYS 72 -3.211 24.202 21.175 603 H LEU 73 HN LEU 73 0.632 29.195 19.885 604 HA LEU 73 HA LEU 73 2.162 31.287 18.642 605 1HB LEU 73 HB2 LEU 73 1.052 30.819 21.415 606 2HB LEU 73 HB1 LEU 73 2.125 32.181 21.094 607 HG LEU 73 HG LEU 73 0.602 32.995 19.347 608 1HD1 LEU 73 HD11 LEU 73 -1.721 31.880 19.266 609 2HD1 LEU 73 HD12 LEU 73 -0.964 30.498 20.058 610 3HD1 LEU 73 HD13 LEU 73 -0.405 31.025 18.469 611 1HD2 LEU 73 HD21 LEU 73 -1.300 33.597 20.853 612 2HD2 LEU 73 HD22 LEU 73 0.269 33.789 21.633 613 3HD2 LEU 73 HD23 LEU 73 -0.734 32.387 22.006 614 H GLU 74 HN GLU 74 4.223 31.966 19.129 615 HA GLU 74 HA GLU 74 5.946 30.158 20.728 616 1HB GLU 74 HB2 GLU 74 6.441 31.057 17.877 617 2HB GLU 74 HB1 GLU 74 7.661 30.308 18.907 618 1HG GLU 74 HG2 GLU 74 6.237 28.306 19.148 619 2HG GLU 74 HG1 GLU 74 5.009 29.052 18.128 620 H HIS 75 HN HIS 75 5.120 32.422 21.828 621 HA HIS 75 HA HIS 75 6.622 34.742 21.191 622 1HB HIS 75 HB2 HIS 75 4.559 34.822 22.543 623 2HB HIS 75 HB1 HIS 75 5.368 33.925 23.828 624 HD1 HIS 75 HD1 HIS 75 4.738 36.261 25.178 625 HD2 HIS 75 HD2 HIS 75 7.795 36.469 22.351 626 HE1 HIS 75 HE1 HIS 75 6.049 38.366 25.693 627 HE2 HIS 75 HE2 HIS 75 7.913 38.508 23.975 628 H HIS 76 HN HIS 76 6.946 32.640 24.059 629 HA HIS 76 HA HIS 76 8.755 32.170 25.391 630 1HB HIS 76 HB2 HIS 76 9.328 30.808 23.425 631 2HB HIS 76 HB1 HIS 76 10.152 32.188 22.701 632 HD1 HIS 76 HD1 HIS 76 10.282 30.503 26.131 633 HD2 HIS 76 HD2 HIS 76 12.861 31.980 23.208 634 HE1 HIS 76 HE1 HIS 76 12.634 30.126 26.993 635 HE2 HIS 76 HE2 HIS 76 14.217 31.021 25.221 636 H HIS 77 HN HIS 77 11.229 33.447 23.478 637 HA HIS 77 HA HIS 77 11.903 35.431 25.433 638 1HB HIS 77 HB2 HIS 77 13.578 34.153 24.084 639 2HB HIS 77 HB1 HIS 77 13.053 35.045 22.657 640 HD1 HIS 77 HD1 HIS 77 13.478 37.666 22.674 641 HD2 HIS 77 HD2 HIS 77 15.272 35.585 25.810 642 HE1 HIS 77 HE1 HIS 77 15.173 39.241 23.703 643 HE2 HIS 77 HE2 HIS 77 16.276 37.987 25.615 644 H HIS 78 HN HIS 78 11.317 37.498 25.513 645 HA HIS 78 HA HIS 78 9.652 38.606 23.360 646 1HB HIS 78 HB2 HIS 78 8.968 38.807 25.752 647 2HB HIS 78 HB1 HIS 78 10.390 39.809 26.041 648 HD1 HIS 78 HD1 HIS 78 9.523 42.154 26.224 649 HD2 HIS 78 HD2 HIS 78 7.793 40.111 23.028 650 HE1 HIS 78 HE1 HIS 78 8.094 43.839 24.986 651 HE2 HIS 78 HE2 HIS 78 7.032 42.608 23.035 652 H HIS 79 HN HIS 79 10.536 39.751 21.784 653 HA HIS 79 HA HIS 79 13.230 40.548 21.695 654 1HB HIS 79 HB2 HIS 79 10.864 41.587 20.115 655 2HB HIS 79 HB1 HIS 79 12.557 41.864 19.707 656 HD1 HIS 79 HD1 HIS 79 13.996 39.481 19.508 657 HD2 HIS 79 HD2 HIS 79 9.871 39.296 18.935 658 HE1 HIS 79 HE1 HIS 79 13.539 37.307 18.291 659 HE2 HIS 79 HE2 HIS 79 11.027 37.181 17.933 660 H HIS 80 HN HIS 80 10.443 42.770 21.668 661 HA HIS 80 HA HIS 80 11.583 44.408 23.793 662 1HB HIS 80 HB2 HIS 80 11.342 45.468 20.965 663 2HB HIS 80 HB1 HIS 80 11.701 46.440 22.393 664 HD1 HIS 80 HD1 HIS 80 13.222 44.004 20.014 665 HD2 HIS 80 HD2 HIS 80 14.310 45.975 23.523 666 HE1 HIS 80 HE1 HIS 80 15.724 43.695 20.263 667 HE2 HIS 80 HE2 HIS 80 16.402 44.890 22.398 668 1H MET 1 HT1 MET 1 36.118 31.836 16.918 669 2H MET 1 HT2 MET 1 37.138 30.803 16.036 670 3H MET 1 HT3 MET 1 35.889 30.157 16.990 671 HA MET 1 HA MET 1 34.957 30.027 14.914 672 1HB MET 1 HB2 MET 1 34.271 32.796 15.945 673 2HB MET 1 HB1 MET 1 33.330 31.897 14.757 674 1HG MET 1 HG2 MET 1 32.242 31.480 16.838 675 2HG MET 1 HG1 MET 1 33.184 30.024 16.530 676 1HE MET 1 HE1 MET 1 32.289 32.658 19.063 677 2HE MET 1 HE2 MET 1 33.366 33.583 18.020 678 3HE MET 1 HE3 MET 1 33.827 33.264 19.690 679 H SER 2 HN SER 2 37.243 30.212 13.905 680 HA SER 2 HA SER 2 37.043 31.969 11.651 681 1HB SER 2 HB2 SER 2 37.897 33.573 13.328 682 2HB SER 2 HB1 SER 2 39.267 32.511 13.638 683 HG SER 2 HG SER 2 38.663 33.340 11.018 684 H GLU 3 HN GLU 3 37.806 29.144 12.919 685 HA GLU 3 HA GLU 3 39.493 28.355 10.698 686 1HB GLU 3 HB2 GLU 3 41.191 27.297 12.344 687 2HB GLU 3 HB1 GLU 3 41.309 29.033 12.072 688 1HG GLU 3 HG2 GLU 3 39.608 27.945 14.341 689 2HG GLU 3 HG1 GLU 3 41.342 28.178 14.545 690 H LEU 4 HN LEU 4 37.456 27.244 10.403 691 HA LEU 4 HA LEU 4 37.042 24.908 12.177 692 1HB LEU 4 HB2 LEU 4 34.950 24.650 10.798 693 2HB LEU 4 HB1 LEU 4 35.035 26.110 11.776 694 HG LEU 4 HG LEU 4 36.142 26.391 8.996 695 1HD1 LEU 4 HD11 LEU 4 33.870 26.700 8.018 696 2HD1 LEU 4 HD12 LEU 4 33.175 26.024 9.492 697 3HD1 LEU 4 HD13 LEU 4 34.207 25.028 8.466 698 1HD2 LEU 4 HD21 LEU 4 35.088 28.578 9.140 699 2HD2 LEU 4 HD22 LEU 4 35.903 28.268 10.672 700 3HD2 LEU 4 HD23 LEU 4 34.155 28.084 10.553 701 H PHE 5 HN PHE 5 39.283 25.225 10.207 702 HA PHE 5 HA PHE 5 38.836 23.683 7.913 703 1HB PHE 5 HB2 PHE 5 40.875 25.030 8.298 704 2HB PHE 5 HB1 PHE 5 41.373 23.904 9.560 705 HD1 PHE 5 HD2 PHE 5 40.738 24.289 5.927 706 HD2 PHE 5 HD1 PHE 5 42.288 21.724 9.004 707 HE1 PHE 5 HE2 PHE 5 41.744 22.824 4.198 708 HE2 PHE 5 HE1 PHE 5 43.295 20.259 7.274 709 HZ PHE 5 HZ PHE 5 43.023 20.809 4.871 710 H SER 6 HN SER 6 39.964 22.743 11.147 711 HA SER 6 HA SER 6 40.039 19.938 10.481 712 1HB SER 6 HB2 SER 6 41.335 21.334 12.348 713 2HB SER 6 HB1 SER 6 39.959 20.864 13.338 714 HG SER 6 HG SER 6 40.503 18.692 12.177 715 H VAL 7 HN VAL 7 38.454 18.494 10.621 716 HA VAL 7 HA VAL 7 35.776 19.182 10.929 717 HB VAL 7 HB VAL 7 36.603 16.382 11.646 718 1HG1 VAL 7 HG11 VAL 7 34.619 17.433 9.621 719 2HG1 VAL 7 HG12 VAL 7 34.233 17.042 11.298 720 3HG1 VAL 7 HG13 VAL 7 34.790 15.781 10.205 721 1HG2 VAL 7 HG21 VAL 7 38.292 16.781 10.005 722 2HG2 VAL 7 HG22 VAL 7 37.183 17.676 8.969 723 3HG2 VAL 7 HG23 VAL 7 37.001 15.932 9.165 724 HA PRO 8 HA PRO 8 36.277 17.234 15.475 725 1HB PRO 8 HB2 PRO 8 38.722 18.365 16.491 726 2HB PRO 8 HB1 PRO 8 38.401 16.653 16.158 727 1HG PRO 8 HG2 PRO 8 39.715 18.704 14.422 728 2HG PRO 8 HG1 PRO 8 40.103 16.982 14.617 729 1HD PRO 8 HD2 PRO 8 38.838 17.737 12.446 730 2HD PRO 8 HD1 PRO 8 38.266 16.298 13.287 731 H TYR 9 HN TYR 9 37.022 20.287 14.063 732 HA TYR 9 HA TYR 9 36.612 21.931 16.360 733 1HB TYR 9 HB2 TYR 9 37.778 22.704 14.328 734 2HB TYR 9 HB1 TYR 9 36.264 22.601 13.431 735 HD1 TYR 9 HD1 TYR 9 37.960 24.271 16.287 736 HD2 TYR 9 HD2 TYR 9 34.605 24.330 13.602 737 HE1 TYR 9 HE1 TYR 9 37.347 26.532 17.102 738 HE2 TYR 9 HE2 TYR 9 33.994 26.590 14.418 739 HH TYR 9 HH TYR 9 34.448 28.201 15.877 740 H PHE 10 HN PHE 10 34.511 20.791 13.744 741 HA PHE 10 HA PHE 10 32.202 22.224 14.611 742 1HB PHE 10 HB2 PHE 10 32.916 20.471 12.430 743 2HB PHE 10 HB1 PHE 10 31.434 19.845 13.132 744 HD1 PHE 10 HD2 PHE 10 32.967 23.163 12.239 745 HD2 PHE 10 HD1 PHE 10 29.423 20.734 12.248 746 HE1 PHE 10 HE2 PHE 10 31.719 24.977 11.098 747 HE2 PHE 10 HE1 PHE 10 28.183 22.549 11.113 748 HZ PHE 10 HZ PHE 10 29.321 24.665 10.536 749 H ILE 11 HN ILE 11 33.290 18.878 15.087 750 HA ILE 11 HA ILE 11 31.033 18.019 16.527 751 HB ILE 11 HB ILE 11 33.872 17.035 16.821 752 1HG1 ILE 11 HG12 ILE 11 31.698 16.244 14.843 753 2HG1 ILE 11 HG11 ILE 11 33.182 17.103 14.446 754 1HG2 ILE 11 HG21 ILE 11 32.135 16.246 18.509 755 2HG2 ILE 11 HG22 ILE 11 32.856 14.979 17.546 756 3HG2 ILE 11 HG23 ILE 11 31.242 15.556 17.157 757 1HD1 ILE 11 HD11 ILE 11 33.569 14.796 13.923 758 2HD1 ILE 11 HD12 ILE 11 32.917 14.271 15.474 759 3HD1 ILE 11 HD13 ILE 11 34.460 15.128 15.409 760 H GLU 12 HN GLU 12 34.111 19.432 17.572 761 HA GLU 12 HA GLU 12 33.948 19.187 20.313 762 1HB GLU 12 HB2 GLU 12 35.107 21.238 18.462 763 2HB GLU 12 HB1 GLU 12 35.000 21.692 20.160 764 1HG GLU 12 HG2 GLU 12 36.332 19.791 20.824 765 2HG GLU 12 HG1 GLU 12 36.303 19.129 19.197 766 H ASN 13 HN ASN 13 31.885 21.038 18.242 767 HA ASN 13 HA ASN 13 30.877 22.833 20.240 768 1HB ASN 13 HB2 ASN 13 29.607 21.950 17.644 769 2HB ASN 13 HB1 ASN 13 29.162 23.356 18.600 770 1HD2 ASN 13 HD21 ASN 13 30.055 23.604 15.882 771 2HD2 ASN 13 HD22 ASN 13 31.552 24.404 15.890 772 H LEU 14 HN LEU 14 29.911 19.676 18.973 773 HA LEU 14 HA LEU 14 27.447 19.519 20.424 774 1HB LEU 14 HB2 LEU 14 29.146 17.445 19.015 775 2HB LEU 14 HB1 LEU 14 27.646 17.035 19.844 776 HG LEU 14 HG LEU 14 26.423 18.659 18.437 777 1HD1 LEU 14 HD11 LEU 14 27.789 19.391 16.309 778 2HD1 LEU 14 HD12 LEU 14 29.180 19.191 17.349 779 3HD1 LEU 14 HD13 LEU 14 27.903 20.323 17.790 780 1HD2 LEU 14 HD21 LEU 14 27.992 16.428 17.105 781 2HD2 LEU 14 HD22 LEU 14 26.826 17.386 16.190 782 3HD2 LEU 14 HD23 LEU 14 26.293 16.465 17.584 783 H LYS 15 HN LYS 15 30.761 18.486 21.033 784 HA LYS 15 HA LYS 15 30.334 16.823 23.211 785 1HB LYS 15 HB2 LYS 15 32.507 17.159 22.073 786 2HB LYS 15 HB1 LYS 15 32.620 18.747 22.833 787 1HG LYS 15 HG2 LYS 15 32.650 17.767 25.043 788 2HG LYS 15 HG1 LYS 15 32.296 16.167 24.395 789 1HD LYS 15 HD2 LYS 15 34.673 16.312 24.891 790 2HD LYS 15 HD1 LYS 15 34.446 16.219 23.147 791 1HE LYS 15 HE2 LYS 15 34.954 18.525 22.847 792 2HE LYS 15 HE1 LYS 15 34.709 18.893 24.557 793 1HZ LYS 15 HZ1 LYS 15 36.770 18.253 25.056 794 2HZ LYS 15 HZ2 LYS 15 37.085 18.414 23.394 795 3HZ LYS 15 HZ3 LYS 15 36.713 16.890 24.048 796 H GLN 16 HN GLN 16 30.665 20.353 23.066 797 HA GLN 16 HA GLN 16 30.548 20.802 25.878 798 1HB GLN 16 HB2 GLN 16 31.399 22.452 24.195 799 2HB GLN 16 HB1 GLN 16 29.737 22.699 23.663 800 1HG GLN 16 HG2 GLN 16 29.103 23.427 25.929 801 2HG GLN 16 HG1 GLN 16 30.748 23.146 26.488 802 1HE2 GLN 16 HE21 GLN 16 29.610 25.724 26.704 803 2HE2 GLN 16 HE22 GLN 16 30.392 26.766 25.616 804 H HIS 17 HN HIS 17 28.118 20.397 23.385 805 HA HIS 17 HA HIS 17 25.919 21.415 24.870 806 1HB HIS 17 HB2 HIS 17 25.934 19.336 22.669 807 2HB HIS 17 HB1 HIS 17 24.541 20.239 23.228 808 HD1 HIS 17 HD1 HIS 17 25.152 20.668 20.350 809 HD2 HIS 17 HD2 HIS 17 27.019 22.915 23.324 810 HE1 HIS 17 HE1 HIS 17 25.974 22.788 19.236 811 HE2 HIS 17 HE2 HIS 17 27.113 24.170 21.035 812 H ILE 18 HN ILE 18 27.041 18.081 24.294 813 HA ILE 18 HA ILE 18 25.154 16.926 26.134 814 HB ILE 18 HB ILE 18 26.385 14.843 25.742 815 1HG1 ILE 18 HG12 ILE 18 28.346 16.683 24.344 816 2HG1 ILE 18 HG11 ILE 18 28.680 15.631 25.711 817 1HG2 ILE 18 HG21 ILE 18 24.750 15.875 24.029 818 2HG2 ILE 18 HG22 ILE 18 25.832 14.627 23.434 819 3HG2 ILE 18 HG23 ILE 18 26.180 16.323 23.101 820 1HD1 ILE 18 HD11 ILE 18 29.559 14.451 23.869 821 2HD1 ILE 18 HD12 ILE 18 28.177 14.842 22.849 822 3HD1 ILE 18 HD13 ILE 18 28.000 13.680 24.167 823 H GLU 19 HN GLU 19 28.619 17.683 26.244 824 HA GLU 19 HA GLU 19 29.039 16.625 28.857 825 1HB GLU 19 HB2 GLU 19 30.842 17.097 27.142 826 2HB GLU 19 HB1 GLU 19 30.638 18.812 27.490 827 1HG GLU 19 HG2 GLU 19 32.471 18.036 28.839 828 2HG GLU 19 HG1 GLU 19 31.112 18.275 29.929 829 H MET 20 HN MET 20 28.700 19.979 27.675 830 HA MET 20 HA MET 20 28.331 20.939 30.412 831 1HB MET 20 HB2 MET 20 29.536 22.089 28.247 832 2HB MET 20 HB1 MET 20 27.954 22.832 28.117 833 1HG MET 20 HG2 MET 20 29.196 24.312 29.510 834 2HG MET 20 HG1 MET 20 28.201 23.386 30.628 835 1HE MET 20 HE1 MET 20 32.687 23.281 29.947 836 2HE MET 20 HE2 MET 20 31.435 23.944 28.908 837 3HE MET 20 HE3 MET 20 31.827 22.230 28.819 838 H ASN 21 HN ASN 21 26.593 23.087 29.739 839 HA ASN 21 HA ASN 21 24.096 21.962 28.782 840 1HB ASN 21 HB2 ASN 21 24.272 21.138 31.144 841 2HB ASN 21 HB1 ASN 21 24.330 22.818 31.679 842 1HD2 ASN 21 HD21 ASN 21 22.279 23.174 32.593 843 2HD2 ASN 21 HD22 ASN 21 20.814 22.845 31.801 844 H GLN 22 HN GLN 22 25.565 24.081 27.788 845 HA GLN 22 HA GLN 22 24.889 26.612 28.846 846 1HB GLN 22 HB2 GLN 22 26.674 26.242 27.157 847 2HB GLN 22 HB1 GLN 22 25.434 25.885 25.955 848 1HG GLN 22 HG2 GLN 22 24.517 28.125 26.146 849 2HG GLN 22 HG1 GLN 22 25.590 28.493 27.496 850 1HE2 GLN 22 HE21 GLN 22 25.608 30.089 25.128 851 2HE2 GLN 22 HE22 GLN 22 27.090 29.853 24.334 852 H SER 23 HN SER 23 23.425 24.758 26.184 853 HA SER 23 HA SER 23 20.766 25.467 26.852 854 1HB SER 23 HB2 SER 23 20.309 26.939 24.860 855 2HB SER 23 HB1 SER 23 21.306 27.698 26.092 856 HG SER 23 HG SER 23 21.886 27.085 23.513 857 H GLU 24 HN GLU 24 21.103 23.077 26.491 858 HA GLU 24 HA GLU 24 19.953 22.362 23.971 859 1HB GLU 24 HB2 GLU 24 22.554 22.654 23.587 860 2HB GLU 24 HB1 GLU 24 22.672 21.101 24.393 861 1HG GLU 24 HG2 GLU 24 22.494 20.553 22.068 862 2HG GLU 24 HG1 GLU 24 20.881 20.278 22.717 863 H ASP 25 HN ASP 25 21.467 19.664 24.391 864 HA ASP 25 HA ASP 25 20.344 18.679 26.891 865 1HB ASP 25 HB2 ASP 25 19.282 17.685 24.226 866 2HB ASP 25 HB1 ASP 25 18.872 17.032 25.813 867 H LYS 26 HN LYS 26 20.266 15.968 26.064 868 HA LYS 26 HA LYS 26 23.167 15.451 25.865 869 1HB LYS 26 HB2 LYS 26 21.835 14.454 27.722 870 2HB LYS 26 HB1 LYS 26 20.926 13.525 26.539 871 1HG LYS 26 HG2 LYS 26 22.998 12.430 25.777 872 2HG LYS 26 HG1 LYS 26 23.949 13.427 26.879 873 1HD LYS 26 HD2 LYS 26 22.721 12.440 28.797 874 2HD LYS 26 HD1 LYS 26 21.809 11.425 27.680 875 1HE LYS 26 HE2 LYS 26 24.835 11.398 27.844 876 2HE LYS 26 HE1 LYS 26 23.806 10.289 28.748 877 1HZ LYS 26 HZ1 LYS 26 24.069 10.547 25.811 878 2HZ LYS 26 HZ2 LYS 26 22.774 9.721 26.538 879 3HZ LYS 26 HZ3 LYS 26 24.368 9.183 26.775 880 H ILE 27 HN ILE 27 21.062 12.908 24.929 881 HA ILE 27 HA ILE 27 22.346 12.545 22.444 882 HB ILE 27 HB ILE 27 19.889 11.406 23.741 883 1HG1 ILE 27 HG12 ILE 27 22.433 10.671 24.095 884 2HG1 ILE 27 HG11 ILE 27 21.174 9.447 23.991 885 1HG2 ILE 27 HG21 ILE 27 19.744 9.837 21.669 886 2HG2 ILE 27 HG22 ILE 27 20.633 11.098 20.820 887 3HG2 ILE 27 HG23 ILE 27 19.051 11.450 21.517 888 1HD1 ILE 27 HD11 ILE 27 21.729 8.907 21.755 889 2HD1 ILE 27 HD12 ILE 27 23.263 9.057 22.579 890 3HD1 ILE 27 HD13 ILE 27 22.698 10.363 21.548 891 H HIS 28 HN HIS 28 19.378 14.216 23.354 892 HA HIS 28 HA HIS 28 18.473 14.606 20.673 893 1HB HIS 28 HB2 HIS 28 17.807 16.082 23.232 894 2HB HIS 28 HB1 HIS 28 16.945 16.261 21.704 895 HD1 HIS 28 HD1 HIS 28 17.518 13.839 24.521 896 HD2 HIS 28 HD2 HIS 28 15.285 14.048 21.006 897 HE1 HIS 28 HE1 HIS 28 15.871 11.916 24.602 898 HE2 HIS 28 HE2 HIS 28 14.503 12.029 22.466 899 H ALA 29 HN ALA 29 21.232 15.648 21.989 900 HA ALA 29 HA ALA 29 21.223 18.437 21.315 901 1HB ALA 29 HB1 ALA 29 23.603 18.346 21.753 902 2HB ALA 29 HB2 ALA 29 23.576 16.583 21.705 903 3HB ALA 29 HB3 ALA 29 22.747 17.445 23.000 904 H MET 30 HN MET 30 22.633 15.540 19.798 905 HA MET 30 HA MET 30 23.676 16.859 17.550 906 1HB MET 30 HB2 MET 30 23.789 14.649 16.535 907 2HB MET 30 HB1 MET 30 24.281 14.554 18.223 908 1HG MET 30 HG2 MET 30 22.795 12.749 18.153 909 2HG MET 30 HG1 MET 30 21.676 14.024 18.583 910 1HE MET 30 HE1 MET 30 21.395 11.097 17.136 911 2HE MET 30 HE2 MET 30 20.044 11.383 16.049 912 3HE MET 30 HE3 MET 30 19.985 11.995 17.698 913 H ASN 31 HN ASN 31 20.510 15.308 18.116 914 HA ASN 31 HA ASN 31 19.478 15.499 15.533 915 1HB ASN 31 HB2 ASN 31 18.160 15.705 18.254 916 2HB ASN 31 HB1 ASN 31 17.214 15.751 16.768 917 1HD2 ASN 31 HD21 ASN 31 18.600 13.839 15.205 918 2HD2 ASN 31 HD22 ASN 31 18.457 12.320 15.947 919 H SER 32 HN SER 32 19.316 17.930 18.153 920 HA SER 32 HA SER 32 17.958 19.887 16.590 921 1HB SER 32 HB2 SER 32 17.856 20.204 18.928 922 2HB SER 32 HB1 SER 32 19.587 19.962 19.118 923 HG SER 32 HG SER 32 19.604 22.072 19.062 924 H TYR 33 HN TYR 33 21.398 19.611 17.529 925 HA TYR 33 HA TYR 33 22.318 21.803 16.016 926 1HB TYR 33 HB2 TYR 33 23.662 20.803 17.787 927 2HB TYR 33 HB1 TYR 33 23.757 19.284 16.894 928 HD1 TYR 33 HD1 TYR 33 25.101 19.101 14.845 929 HD2 TYR 33 HD2 TYR 33 24.940 22.766 17.077 930 HE1 TYR 33 HE1 TYR 33 27.056 19.963 13.579 931 HE2 TYR 33 HE2 TYR 33 26.900 23.622 15.820 932 HH TYR 33 HH TYR 33 28.907 21.691 14.002 933 H TYR 34 HN TYR 34 22.318 18.321 15.259 934 HA TYR 34 HA TYR 34 23.485 18.408 12.737 935 1HB TYR 34 HB2 TYR 34 22.973 16.313 13.998 936 2HB TYR 34 HB1 TYR 34 21.262 16.544 13.635 937 HD1 TYR 34 HD2 TYR 34 24.614 16.013 12.158 938 HD2 TYR 34 HD1 TYR 34 20.377 15.929 11.466 939 HE1 TYR 34 HE2 TYR 34 24.993 14.934 9.954 940 HE2 TYR 34 HE1 TYR 34 20.755 14.844 9.267 941 HH TYR 34 HH TYR 34 22.707 13.351 8.263 942 H ARG 35 HN ARG 35 20.061 18.717 13.652 943 HA ARG 35 HA ARG 35 19.109 19.031 10.995 944 1HB ARG 35 HB2 ARG 35 17.660 18.324 12.831 945 2HB ARG 35 HB1 ARG 35 17.873 19.885 13.617 946 1HG ARG 35 HG2 ARG 35 16.973 20.119 10.777 947 2HG ARG 35 HG1 ARG 35 15.820 19.274 11.800 948 1HD ARG 35 HD2 ARG 35 17.027 21.963 12.494 949 2HD ARG 35 HD1 ARG 35 15.471 21.758 11.693 950 HE ARG 35 HE ARG 35 15.487 20.177 14.024 951 1HH1 ARG 35 HH21 ARG 35 15.566 23.483 13.007 952 2HH1 ARG 35 HH22 ARG 35 14.748 24.081 14.410 953 1HH2 ARG 35 HH11 ARG 35 14.404 20.952 15.866 954 2HH2 ARG 35 HH12 ARG 35 14.089 22.646 16.031 955 H SER 36 HN SER 36 20.195 21.267 13.491 956 HA SER 36 HA SER 36 19.334 23.665 12.286 957 1HB SER 36 HB2 SER 36 21.730 23.175 14.070 958 2HB SER 36 HB1 SER 36 21.041 24.753 13.697 959 HG SER 36 HG SER 36 19.909 24.282 15.434 960 H VAL 37 HN VAL 37 22.377 21.867 12.015 961 HA VAL 37 HA VAL 37 23.598 23.742 10.218 962 HB VAL 37 HB VAL 37 24.249 20.856 10.871 963 1HG1 VAL 37 HG11 VAL 37 25.740 22.903 9.199 964 2HG1 VAL 37 HG12 VAL 37 25.195 21.304 8.710 965 3HG1 VAL 37 HG13 VAL 37 26.505 21.458 9.860 966 1HG2 VAL 37 HG21 VAL 37 26.113 21.949 12.138 967 2HG2 VAL 37 HG22 VAL 37 24.520 22.355 12.767 968 3HG2 VAL 37 HG23 VAL 37 25.399 23.515 11.772 969 H VAL 38 HN VAL 38 21.987 20.606 9.799 970 HA VAL 38 HA VAL 38 22.357 20.223 7.078 971 HB VAL 38 HB VAL 38 20.001 19.586 8.858 972 1HG1 VAL 38 HG11 VAL 38 19.387 17.923 6.949 973 2HG1 VAL 38 HG12 VAL 38 20.362 18.966 5.918 974 3HG1 VAL 38 HG13 VAL 38 18.948 19.616 6.730 975 1HG2 VAL 38 HG21 VAL 38 21.803 17.510 7.612 976 2HG2 VAL 38 HG22 VAL 38 20.975 17.495 9.159 977 3HG2 VAL 38 HG23 VAL 38 22.437 18.449 8.959 978 H SER 39 HN SER 39 19.825 22.150 8.685 979 HA SER 39 HA SER 39 18.469 22.911 6.339 980 1HB SER 39 HB2 SER 39 17.311 23.236 8.381 981 2HB SER 39 HB1 SER 39 18.666 24.099 9.105 982 HG SER 39 HG SER 39 17.424 25.053 6.765 983 H THR 40 HN THR 40 21.272 24.210 8.009 984 HA THR 40 HA THR 40 21.400 26.650 6.507 985 HB THR 40 HB THR 40 23.625 25.234 7.993 986 HG1 THR 40 HG1 THR 40 22.277 27.324 9.163 987 1HG2 THR 40 HG21 THR 40 24.425 27.025 6.573 988 2HG2 THR 40 HG22 THR 40 24.468 27.568 8.249 989 3HG2 THR 40 HG23 THR 40 23.176 28.114 7.184 990 H LEU 41 HN LEU 41 23.205 23.582 6.364 991 HA LEU 41 HA LEU 41 24.918 24.146 4.264 992 1HB LEU 41 HB2 LEU 41 23.512 21.566 4.980 993 2HB LEU 41 HB1 LEU 41 24.828 21.658 3.825 994 HG LEU 41 HG LEU 41 25.016 22.540 6.707 995 1HD1 LEU 41 HD11 LEU 41 26.467 20.461 6.908 996 2HD1 LEU 41 HD12 LEU 41 25.891 19.986 5.312 997 3HD1 LEU 41 HD13 LEU 41 24.751 20.139 6.650 998 1HD2 LEU 41 HD21 LEU 41 26.739 23.741 5.687 999 2HD2 LEU 41 HD22 LEU 41 26.933 22.567 4.388 1000 3HD2 LEU 41 HD23 LEU 41 27.589 22.230 5.985 1001 H VAL 42 HN VAL 42 21.526 23.283 4.156 1002 HA VAL 42 HA VAL 42 21.498 23.166 1.229 1003 HB VAL 42 HB VAL 42 19.274 22.965 3.256 1004 1HG1 VAL 42 HG11 VAL 42 18.339 23.686 1.156 1005 2HG1 VAL 42 HG12 VAL 42 18.053 21.950 1.258 1006 3HG1 VAL 42 HG13 VAL 42 19.362 22.569 0.248 1007 1HG2 VAL 42 HG21 VAL 42 19.412 20.564 2.871 1008 2HG2 VAL 42 HG22 VAL 42 21.032 21.128 3.278 1009 3HG2 VAL 42 HG23 VAL 42 20.613 20.788 1.598 1010 H GLN 43 HN GLN 43 20.595 25.338 3.828 1011 HA GLN 43 HA GLN 43 19.778 27.381 1.823 1012 1HB GLN 43 HB2 GLN 43 17.916 26.596 3.300 1013 2HB GLN 43 HB1 GLN 43 18.840 27.153 4.694 1014 1HG GLN 43 HG2 GLN 43 18.824 29.438 3.864 1015 2HG GLN 43 HG1 GLN 43 18.046 28.925 2.368 1016 1HE2 GLN 43 HE21 GLN 43 15.864 29.416 2.392 1017 2HE2 GLN 43 HE22 GLN 43 14.866 29.365 3.765 1018 H ASP 44 HN ASP 44 21.992 27.960 1.664 1019 HA ASP 44 HA ASP 44 22.654 30.118 3.425 1020 1HB ASP 44 HB2 ASP 44 23.415 28.290 4.840 1021 2HB ASP 44 HB1 ASP 44 24.403 27.651 3.533 1022 H GLN 45 HN GLN 45 24.681 27.841 1.589 1023 HA GLN 45 HA GLN 45 25.609 30.104 -0.110 1024 1HB GLN 45 HB2 GLN 45 27.537 28.654 -0.613 1025 2HB GLN 45 HB1 GLN 45 27.379 28.966 1.114 1026 1HG GLN 45 HG2 GLN 45 26.164 26.766 1.327 1027 2HG GLN 45 HG1 GLN 45 26.554 26.448 -0.361 1028 1HE2 GLN 45 HE21 GLN 45 28.314 27.505 2.619 1029 2HE2 GLN 45 HE22 GLN 45 29.674 26.537 2.316 1030 H LEU 46 HN LEU 46 24.369 26.807 -0.174 1031 HA LEU 46 HA LEU 46 23.746 25.461 -1.940 1032 1HB LEU 46 HB2 LEU 46 21.845 27.100 -1.432 1033 2HB LEU 46 HB1 LEU 46 22.376 28.004 -2.845 1034 HG LEU 46 HG LEU 46 22.258 25.560 -3.986 1035 1HD1 LEU 46 HD11 LEU 46 20.097 25.415 -1.870 1036 2HD1 LEU 46 HD12 LEU 46 21.574 24.452 -1.865 1037 3HD1 LEU 46 HD13 LEU 46 20.390 24.242 -3.153 1038 1HD2 LEU 46 HD21 LEU 46 19.869 27.366 -3.492 1039 2HD2 LEU 46 HD22 LEU 46 19.920 26.098 -4.718 1040 3HD2 LEU 46 HD23 LEU 46 21.014 27.476 -4.830 1041 H THR 47 HN THR 47 26.242 26.074 -2.541 1042 HA THR 47 HA THR 47 26.461 27.460 -5.089 1043 HB THR 47 HB THR 47 28.286 27.750 -3.568 1044 HG1 THR 47 HG1 THR 47 28.715 27.327 -5.852 1045 1HG2 THR 47 HG21 THR 47 28.009 25.805 -2.158 1046 2HG2 THR 47 HG22 THR 47 29.634 25.764 -2.833 1047 3HG2 THR 47 HG23 THR 47 28.378 24.722 -3.498 1048 H LYS 48 HN LYS 48 26.097 24.232 -3.931 1049 HA LYS 48 HA LYS 48 25.560 23.199 -6.501 1050 1HB LYS 48 HB2 LYS 48 28.121 23.437 -6.559 1051 2HB LYS 48 HB1 LYS 48 28.157 22.194 -5.333 1052 1HG LYS 48 HG2 LYS 48 28.346 20.880 -7.252 1053 2HG LYS 48 HG1 LYS 48 26.602 20.868 -7.043 1054 1HD LYS 48 HD2 LYS 48 26.424 22.774 -8.641 1055 2HD LYS 48 HD1 LYS 48 28.170 22.717 -8.864 1056 1HE LYS 48 HE2 LYS 48 27.988 20.395 -9.666 1057 2HE LYS 48 HE1 LYS 48 26.237 20.465 -9.452 1058 1HZ LYS 48 HZ1 LYS 48 26.578 22.626 -10.905 1059 2HZ LYS 48 HZ2 LYS 48 26.355 21.095 -11.608 1060 3HZ LYS 48 HZ3 LYS 48 27.917 21.748 -11.462 1061 H ASN 49 HN ASN 49 24.474 21.277 -6.340 1062 HA ASN 49 HA ASN 49 23.495 20.403 -3.880 1063 1HB ASN 49 HB2 ASN 49 22.804 18.347 -5.086 1064 2HB ASN 49 HB1 ASN 49 22.408 19.817 -5.974 1065 1HD2 ASN 49 HD21 ASN 49 24.743 17.109 -5.851 1066 2HD2 ASN 49 HD22 ASN 49 25.263 17.282 -7.457 1067 H ALA 50 HN ALA 50 26.175 19.081 -5.810 1068 HA ALA 50 HA ALA 50 26.811 16.907 -4.152 1069 1HB ALA 50 HB1 ALA 50 28.756 18.560 -5.782 1070 2HB ALA 50 HB2 ALA 50 27.739 17.280 -6.444 1071 3HB ALA 50 HB3 ALA 50 28.977 16.893 -5.248 1072 H VAL 51 HN VAL 51 28.028 20.249 -4.129 1073 HA VAL 51 HA VAL 51 29.879 19.973 -2.061 1074 HB VAL 51 HB VAL 51 28.251 22.340 -2.956 1075 1HG1 VAL 51 HG11 VAL 51 30.393 22.173 -0.812 1076 2HG1 VAL 51 HG12 VAL 51 28.780 22.879 -0.681 1077 3HG1 VAL 51 HG13 VAL 51 30.014 23.683 -1.644 1078 1HG2 VAL 51 HG21 VAL 51 30.093 21.252 -4.433 1079 2HG2 VAL 51 HG22 VAL 51 31.236 21.857 -3.241 1080 3HG2 VAL 51 HG23 VAL 51 30.225 22.988 -4.143 1081 H VAL 52 HN VAL 52 26.412 20.395 -1.998 1082 HA VAL 52 HA VAL 52 26.358 20.779 0.874 1083 HB VAL 52 HB VAL 52 24.047 20.288 -1.035 1084 1HG1 VAL 52 HG11 VAL 52 24.083 21.533 1.696 1085 2HG1 VAL 52 HG12 VAL 52 23.594 19.875 1.393 1086 3HG1 VAL 52 HG13 VAL 52 22.691 21.205 0.698 1087 1HG2 VAL 52 HG21 VAL 52 25.519 22.323 -1.508 1088 2HG2 VAL 52 HG22 VAL 52 25.077 22.913 0.082 1089 3HG2 VAL 52 HG23 VAL 52 23.837 22.683 -1.151 1090 H LEU 53 HN LEU 53 25.513 18.230 -1.417 1091 HA LEU 53 HA LEU 53 24.464 16.449 0.464 1092 1HB LEU 53 HB2 LEU 53 24.585 16.449 -2.216 1093 2HB LEU 53 HB1 LEU 53 25.945 15.372 -1.932 1094 HG LEU 53 HG LEU 53 23.094 15.008 -0.966 1095 1HD1 LEU 53 HD11 LEU 53 24.808 13.473 -2.937 1096 2HD1 LEU 53 HD12 LEU 53 23.395 14.458 -3.313 1097 3HD1 LEU 53 HD13 LEU 53 23.210 12.969 -2.389 1098 1HD2 LEU 53 HD21 LEU 53 25.632 13.495 -0.303 1099 2HD2 LEU 53 HD22 LEU 53 24.046 12.727 -0.198 1100 3HD2 LEU 53 HD23 LEU 53 24.402 14.136 0.786 1101 H LYS 54 HN LYS 54 27.744 16.583 -0.932 1102 HA LYS 54 HA LYS 54 28.899 14.489 0.476 1103 1HB LYS 54 HB2 LYS 54 30.982 15.377 -0.189 1104 2HB LYS 54 HB1 LYS 54 29.867 16.022 -1.391 1105 1HG LYS 54 HG2 LYS 54 29.679 18.111 0.017 1106 2HG LYS 54 HG1 LYS 54 30.974 17.483 1.036 1107 1HD LYS 54 HD2 LYS 54 32.402 17.309 -1.012 1108 2HD LYS 54 HD1 LYS 54 31.138 18.147 -1.896 1109 1HE LYS 54 HE2 LYS 54 32.755 19.809 -1.167 1110 2HE LYS 54 HE1 LYS 54 31.305 20.015 -0.183 1111 1HZ LYS 54 HZ1 LYS 54 33.713 18.471 0.604 1112 2HZ LYS 54 HZ2 LYS 54 32.312 18.671 1.544 1113 3HZ LYS 54 HZ3 LYS 54 33.295 20.009 1.184 1114 H ARG 55 HN ARG 55 28.416 17.852 1.451 1115 HA ARG 55 HA ARG 55 29.836 17.684 3.911 1116 1HB ARG 55 HB2 ARG 55 27.783 19.626 2.820 1117 2HB ARG 55 HB1 ARG 55 28.467 19.807 4.437 1118 1HG ARG 55 HG2 ARG 55 30.717 19.946 3.514 1119 2HG ARG 55 HG1 ARG 55 30.114 19.642 1.893 1120 1HD ARG 55 HD2 ARG 55 30.463 22.033 2.137 1121 2HD ARG 55 HD1 ARG 55 28.728 21.736 2.091 1122 HE ARG 55 HE ARG 55 29.531 21.695 4.780 1123 1HH1 ARG 55 HH21 ARG 55 29.342 23.863 2.090 1124 2HH1 ARG 55 HH22 ARG 55 29.096 25.271 3.067 1125 1HH2 ARG 55 HH11 ARG 55 29.221 23.538 6.067 1126 2HH2 ARG 55 HH12 ARG 55 29.027 25.088 5.318 1127 H ILE 56 HN ILE 56 26.485 17.149 2.964 1128 HA ILE 56 HA ILE 56 25.433 16.973 5.577 1129 HB ILE 56 HB ILE 56 24.531 15.859 2.915 1130 1HG1 ILE 56 HG12 ILE 56 24.470 18.418 3.597 1131 2HG1 ILE 56 HG11 ILE 56 23.074 17.705 2.803 1132 1HG2 ILE 56 HG21 ILE 56 23.565 14.287 4.402 1133 2HG2 ILE 56 HG22 ILE 56 22.289 15.476 4.163 1134 3HG2 ILE 56 HG23 ILE 56 23.256 15.506 5.639 1135 1HD1 ILE 56 HD11 ILE 56 22.653 19.157 4.885 1136 2HD1 ILE 56 HD12 ILE 56 23.290 17.804 5.809 1137 3HD1 ILE 56 HD13 ILE 56 21.862 17.584 4.807 1138 H GLN 57 HN GLN 57 26.527 14.447 3.321 1139 HA GLN 57 HA GLN 57 26.072 12.279 5.040 1140 1HB GLN 57 HB2 GLN 57 28.125 12.593 2.836 1141 2HB GLN 57 HB1 GLN 57 27.656 11.062 3.578 1142 1HG GLN 57 HG2 GLN 57 25.728 12.934 2.206 1143 2HG GLN 57 HG1 GLN 57 26.462 11.547 1.417 1144 1HE2 GLN 57 HE21 GLN 57 23.585 12.359 2.662 1145 2HE2 GLN 57 HE22 GLN 57 23.118 10.892 3.376 1146 H HIS 58 HN HIS 58 28.822 14.446 4.646 1147 HA HIS 58 HA HIS 58 30.595 12.981 6.300 1148 1HB HIS 58 HB2 HIS 58 31.146 14.880 4.624 1149 2HB HIS 58 HB1 HIS 58 30.690 15.990 5.914 1150 HD1 HIS 58 HD1 HIS 58 32.878 16.826 6.864 1151 HD2 HIS 58 HD2 HIS 58 32.945 12.711 6.202 1152 HE1 HIS 58 HE1 HIS 58 35.087 15.988 7.768 1153 HE2 HIS 58 HE2 HIS 58 35.138 13.480 7.383 1154 H LEU 59 HN LEU 59 28.453 15.752 6.911 1155 HA LEU 59 HA LEU 59 29.093 16.304 9.530 1156 1HB LEU 59 HB2 LEU 59 27.423 17.549 8.127 1157 2HB LEU 59 HB1 LEU 59 26.280 16.244 8.417 1158 HG LEU 59 HG LEU 59 26.521 16.642 10.890 1159 1HD1 LEU 59 HD11 LEU 59 28.530 17.722 11.321 1160 2HD1 LEU 59 HD12 LEU 59 27.427 19.086 11.383 1161 3HD1 LEU 59 HD13 LEU 59 28.384 18.800 9.934 1162 1HD2 LEU 59 HD21 LEU 59 24.674 17.619 9.528 1163 2HD2 LEU 59 HD22 LEU 59 25.633 19.082 9.345 1164 3HD2 LEU 59 HD23 LEU 59 25.081 18.584 10.944 1165 H ASP 60 HN ASP 60 27.273 13.605 8.251 1166 HA ASP 60 HA ASP 60 25.943 12.678 10.504 1167 1HB ASP 60 HB2 ASP 60 27.375 10.929 8.494 1168 2HB ASP 60 HB1 ASP 60 25.973 10.499 9.472 1169 H GLU 61 HN GLU 61 29.352 12.543 9.725 1170 HA GLU 61 HA GLU 61 30.206 10.582 11.538 1171 1HB GLU 61 HB2 GLU 61 32.390 11.471 11.230 1172 2HB GLU 61 HB1 GLU 61 31.541 11.774 9.715 1173 1HG GLU 61 HG2 GLU 61 30.952 14.107 10.791 1174 2HG GLU 61 HG1 GLU 61 32.262 13.745 11.904 1175 H ALA 62 HN ALA 62 29.472 14.009 12.007 1176 HA ALA 62 HA ALA 62 30.525 14.214 14.633 1177 1HB ALA 62 HB1 ALA 62 29.301 16.301 14.751 1178 2HB ALA 62 HB2 ALA 62 28.277 15.822 13.397 1179 3HB ALA 62 HB3 ALA 62 29.989 16.151 13.134 1180 H TYR 63 HN TYR 63 27.185 13.829 13.454 1181 HA TYR 63 HA TYR 63 25.929 13.628 15.906 1182 1HB TYR 63 HB2 TYR 63 24.172 13.512 14.455 1183 2HB TYR 63 HB1 TYR 63 25.257 13.097 13.137 1184 HD1 TYR 63 HD2 TYR 63 23.466 11.627 16.072 1185 HD2 TYR 63 HD1 TYR 63 25.233 10.876 12.236 1186 HE1 TYR 63 HE2 TYR 63 22.600 9.305 16.129 1187 HE2 TYR 63 HE1 TYR 63 24.380 8.551 12.296 1188 HH TYR 63 HH TYR 63 22.051 7.483 13.966 1189 H ASN 64 HN ASN 64 27.382 11.059 13.915 1190 HA ASN 64 HA ASN 64 26.694 8.889 15.578 1191 1HB ASN 64 HB2 ASN 64 27.418 8.629 13.232 1192 2HB ASN 64 HB1 ASN 64 29.039 9.156 13.679 1193 1HD2 ASN 64 HD21 ASN 64 30.084 7.112 13.241 1194 2HD2 ASN 64 HD22 ASN 64 29.765 5.720 14.157 1195 H LYS 65 HN LYS 65 29.428 11.088 15.518 1196 HA LYS 65 HA LYS 65 31.087 9.713 17.299 1197 1HB LYS 65 HB2 LYS 65 31.600 11.815 15.879 1198 2HB LYS 65 HB1 LYS 65 30.886 12.733 17.192 1199 1HG LYS 65 HG2 LYS 65 33.116 12.715 17.902 1200 2HG LYS 65 HG1 LYS 65 32.569 11.246 18.685 1201 1HD LYS 65 HD2 LYS 65 33.385 9.946 16.717 1202 2HD LYS 65 HD1 LYS 65 33.988 11.445 16.012 1203 1HE LYS 65 HE2 LYS 65 35.411 11.795 18.009 1204 2HE LYS 65 HE1 LYS 65 34.840 10.258 18.664 1205 1HZ LYS 65 HZ1 LYS 65 37.010 10.253 17.364 1206 2HZ LYS 65 HZ2 LYS 65 36.045 10.432 15.976 1207 3HZ LYS 65 HZ3 LYS 65 35.862 9.068 16.972 1208 H VAL 66 HN VAL 66 28.320 11.814 17.822 1209 HA VAL 66 HA VAL 66 28.726 12.234 20.584 1210 HB VAL 66 HB VAL 66 26.163 12.356 18.957 1211 1HG1 VAL 66 HG11 VAL 66 26.783 13.199 21.795 1212 2HG1 VAL 66 HG12 VAL 66 25.535 12.076 21.259 1213 3HG1 VAL 66 HG13 VAL 66 25.386 13.792 20.893 1214 1HG2 VAL 66 HG21 VAL 66 27.771 13.986 18.191 1215 2HG2 VAL 66 HG22 VAL 66 28.199 14.430 19.841 1216 3HG2 VAL 66 HG23 VAL 66 26.609 14.833 19.205 1217 H LYS 67 HN LYS 67 26.940 9.834 18.774 1218 HA LYS 67 HA LYS 67 25.800 8.527 21.009 1219 1HB LYS 67 HB2 LYS 67 26.394 7.495 18.260 1220 2HB LYS 67 HB1 LYS 67 25.290 6.789 19.428 1221 1HG LYS 67 HG2 LYS 67 24.880 9.716 18.795 1222 2HG LYS 67 HG1 LYS 67 24.487 8.601 17.554 1223 1HD LYS 67 HD2 LYS 67 23.456 8.107 20.344 1224 2HD LYS 67 HD1 LYS 67 22.662 9.336 19.362 1225 1HE LYS 67 HE2 LYS 67 21.725 6.870 19.316 1226 2HE LYS 67 HE1 LYS 67 21.869 7.744 17.792 1227 1HZ LYS 67 HZ1 LYS 67 22.899 5.784 17.293 1228 2HZ LYS 67 HZ2 LYS 67 23.533 5.575 18.856 1229 3HZ LYS 67 HZ3 LYS 67 24.229 6.705 17.799 1230 H ARG 68 HN ARG 68 28.634 7.895 19.010 1231 HA ARG 68 HA ARG 68 29.429 5.512 20.316 1232 1HB ARG 68 HB2 ARG 68 30.890 7.514 18.593 1233 2HB ARG 68 HB1 ARG 68 31.668 6.073 19.222 1234 1HG ARG 68 HG2 ARG 68 29.932 4.671 18.122 1235 2HG ARG 68 HG1 ARG 68 29.198 6.131 17.463 1236 1HD ARG 68 HD2 ARG 68 32.072 5.320 16.950 1237 2HD ARG 68 HD1 ARG 68 30.739 4.933 15.866 1238 HE ARG 68 HE ARG 68 30.676 7.696 16.340 1239 1HH1 ARG 68 HH21 ARG 68 32.700 5.282 14.909 1240 2HH1 ARG 68 HH22 ARG 68 33.383 6.354 13.733 1241 1HH2 ARG 68 HH11 ARG 68 31.567 9.109 14.800 1242 2HH2 ARG 68 HH12 ARG 68 32.741 8.521 13.670 1243 H GLY 69 HN GLY 69 29.726 8.851 21.094 1244 1HA GLY 69 HA2 GLY 69 31.925 8.458 22.988 1245 2HA GLY 69 HA1 GLY 69 31.111 9.969 22.606 1246 H GLU 70 HN GLU 70 28.778 10.081 23.313 1247 HA GLU 70 HA GLU 70 28.433 10.117 25.979 1248 1HB GLU 70 HB2 GLU 70 26.044 10.032 25.639 1249 2HB GLU 70 HB1 GLU 70 26.790 10.913 24.312 1250 1HG GLU 70 HG2 GLU 70 25.402 9.484 23.127 1251 2HG GLU 70 HG1 GLU 70 26.870 8.536 23.156 1252 H SER 71 HN SER 71 27.995 7.279 23.947 1253 HA SER 71 HA SER 71 26.903 5.460 25.706 1254 1HB SER 71 HB2 SER 71 29.014 5.022 23.609 1255 2HB SER 71 HB1 SER 71 28.133 3.717 24.401 1256 HG SER 71 HG SER 71 27.376 4.939 22.280 1257 H LYS 72 HN LYS 72 30.226 6.485 25.423 1258 HA LYS 72 HA LYS 72 30.816 5.245 28.050 1259 1HB LYS 72 HB2 LYS 72 32.523 5.143 25.556 1260 2HB LYS 72 HB1 LYS 72 33.054 4.631 27.156 1261 1HG LYS 72 HG2 LYS 72 31.257 2.961 27.231 1262 2HG LYS 72 HG1 LYS 72 30.713 3.473 25.632 1263 1HD LYS 72 HD2 LYS 72 32.975 2.890 24.727 1264 2HD LYS 72 HD1 LYS 72 33.404 2.256 26.317 1265 1HE LYS 72 HE2 LYS 72 31.076 1.293 24.632 1266 2HE LYS 72 HE1 LYS 72 32.622 0.460 24.791 1267 1HZ LYS 72 HZ1 LYS 72 30.429 0.208 26.434 1268 2HZ LYS 72 HZ2 LYS 72 31.547 1.115 27.336 1269 3HZ LYS 72 HZ3 LYS 72 31.986 -0.404 26.715 1270 H LEU 73 HN LEU 73 33.453 6.045 28.158 1271 HA LEU 73 HA LEU 73 34.650 7.800 28.996 1272 1HB LEU 73 HB2 LEU 73 34.794 8.137 26.486 1273 2HB LEU 73 HB1 LEU 73 33.486 9.303 26.641 1274 HG LEU 73 HG LEU 73 34.912 10.535 28.350 1275 1HD1 LEU 73 HD11 LEU 73 37.471 10.066 27.956 1276 2HD1 LEU 73 HD12 LEU 73 36.926 8.460 27.482 1277 3HD1 LEU 73 HD13 LEU 73 36.584 9.070 29.100 1278 1HD2 LEU 73 HD21 LEU 73 34.669 11.334 26.049 1279 2HD2 LEU 73 HD22 LEU 73 35.978 10.278 25.520 1280 3HD2 LEU 73 HD23 LEU 73 36.314 11.621 26.613 1281 H GLU 74 HN GLU 74 32.960 7.786 30.766 1282 HA GLU 74 HA GLU 74 31.397 10.325 30.821 1283 1HB GLU 74 HB2 GLU 74 30.998 7.735 32.337 1284 2HB GLU 74 HB1 GLU 74 30.040 9.199 32.559 1285 1HG GLU 74 HG2 GLU 74 30.331 7.762 29.902 1286 2HG GLU 74 HG1 GLU 74 28.982 7.515 31.008 1287 H HIS 75 HN HIS 75 34.230 8.982 31.891 1288 HA HIS 75 HA HIS 75 35.698 9.478 33.584 1289 1HB HIS 75 HB2 HIS 75 35.408 11.739 32.589 1290 2HB HIS 75 HB1 HIS 75 34.093 12.043 33.724 1291 HD1 HIS 75 HD1 HIS 75 34.717 12.731 36.080 1292 HD2 HIS 75 HD2 HIS 75 38.006 11.394 33.896 1293 HE1 HIS 75 HE1 HIS 75 36.761 13.217 37.494 1294 HE2 HIS 75 HE2 HIS 75 38.775 12.408 36.176 1295 H HIS 76 HN HIS 76 32.752 8.527 34.142 1296 HA HIS 76 HA HIS 76 32.222 9.369 36.832 1297 1HB HIS 76 HB2 HIS 76 30.540 7.568 36.809 1298 2HB HIS 76 HB1 HIS 76 30.427 8.573 35.365 1299 HD1 HIS 76 HD1 HIS 76 33.034 7.185 34.036 1300 HD2 HIS 76 HD2 HIS 76 29.610 5.249 35.423 1301 HE1 HIS 76 HE1 HIS 76 32.923 4.965 32.821 1302 HE2 HIS 76 HE2 HIS 76 30.842 3.773 33.655 1303 H HIS 77 HN HIS 77 32.886 8.513 38.714 1304 HA HIS 77 HA HIS 77 34.257 7.339 40.150 1305 1HB HIS 77 HB2 HIS 77 32.385 5.733 39.759 1306 2HB HIS 77 HB1 HIS 77 33.330 5.001 38.462 1307 HD1 HIS 77 HD1 HIS 77 35.490 3.689 39.142 1308 HD2 HIS 77 HD2 HIS 77 33.280 5.115 42.378 1309 HE1 HIS 77 HE1 HIS 77 36.397 2.522 41.200 1310 HE2 HIS 77 HE2 HIS 77 35.060 3.381 43.181 1311 H HIS 78 HN HIS 78 36.288 8.128 39.577 1312 HA HIS 78 HA HIS 78 38.084 6.185 38.396 1313 1HB HIS 78 HB2 HIS 78 37.150 7.367 36.395 1314 2HB HIS 78 HB1 HIS 78 37.781 8.880 37.042 1315 HD1 HIS 78 HD1 HIS 78 39.204 5.383 36.428 1316 HD2 HIS 78 HD2 HIS 78 40.278 9.388 35.996 1317 HE1 HIS 78 HE1 HIS 78 41.530 5.397 35.424 1318 HE2 HIS 78 HE2 HIS 78 42.201 7.832 35.158 1319 H HIS 79 HN HIS 79 40.163 6.466 39.065 1320 HA HIS 79 HA HIS 79 40.659 8.018 41.349 1321 1HB HIS 79 HB2 HIS 79 41.955 5.997 40.716 1322 2HB HIS 79 HB1 HIS 79 42.684 6.906 39.391 1323 HD1 HIS 79 HD1 HIS 79 42.253 7.333 43.165 1324 HD2 HIS 79 HD2 HIS 79 45.036 8.126 40.163 1325 HE1 HIS 79 HE1 HIS 79 44.277 8.337 44.311 1326 HE2 HIS 79 HE2 HIS 79 45.982 8.825 42.494 1327 H HIS 80 HN HIS 80 41.517 8.571 37.944 1328 HA HIS 80 HA HIS 80 42.265 10.441 36.838 1329 1HB HIS 80 HB2 HIS 80 40.012 11.218 37.536 1330 2HB HIS 80 HB1 HIS 80 40.718 11.873 39.013 1331 HD1 HIS 80 HD1 HIS 80 41.307 12.172 35.248 1332 HD2 HIS 80 HD2 HIS 80 41.530 14.492 38.705 1333 HE1 HIS 80 HE1 HIS 80 41.952 14.505 34.504 1334 HE2 HIS 80 HE2 HIS 80 42.093 15.932 36.600 Start of MODEL 11 1 1H MET 1 HT1 MET 1 0.041 -2.320 0.560 2 2H MET 1 HT2 MET 1 1.666 -1.870 0.773 3 3H MET 1 HT3 MET 1 1.280 -3.298 -0.060 4 HA MET 1 HA MET 1 1.957 -1.350 -1.475 5 1HB MET 1 HB2 MET 1 0.710 -3.367 -2.292 6 2HB MET 1 HB1 MET 1 -0.803 -2.532 -1.944 7 1HG MET 1 HG2 MET 1 1.268 -1.241 -3.743 8 2HG MET 1 HG1 MET 1 0.138 -2.428 -4.381 9 1HE MET 1 HE1 MET 1 -0.208 -0.230 -5.958 10 2HE MET 1 HE2 MET 1 -1.856 0.369 -5.790 11 3HE MET 1 HE3 MET 1 -1.558 -1.367 -5.828 12 H SER 2 HN SER 2 1.920 0.774 -1.025 13 HA SER 2 HA SER 2 -0.696 2.155 -0.969 14 1HB SER 2 HB2 SER 2 1.543 2.597 1.017 15 2HB SER 2 HB1 SER 2 0.105 3.603 0.864 16 HG SER 2 HG SER 2 -1.090 1.583 1.192 17 H GLU 3 HN GLU 3 -0.665 4.258 -1.746 18 HA GLU 3 HA GLU 3 1.594 4.872 -3.516 19 1HB GLU 3 HB2 GLU 3 -1.128 6.171 -3.203 20 2HB GLU 3 HB1 GLU 3 0.084 6.633 -4.397 21 1HG GLU 3 HG2 GLU 3 -1.432 5.137 -5.507 22 2HG GLU 3 HG1 GLU 3 0.051 4.230 -5.226 23 H LEU 4 HN LEU 4 3.221 5.936 -2.652 24 HA LEU 4 HA LEU 4 2.758 7.935 -0.527 25 1HB LEU 4 HB2 LEU 4 5.295 7.893 -0.412 26 2HB LEU 4 HB1 LEU 4 4.479 6.405 0.056 27 HG LEU 4 HG LEU 4 5.176 6.606 -2.861 28 1HD1 LEU 4 HD11 LEU 4 7.528 5.899 -2.437 29 2HD1 LEU 4 HD12 LEU 4 7.307 6.278 -0.728 30 3HD1 LEU 4 HD13 LEU 4 7.209 7.560 -1.937 31 1HD2 LEU 4 HD21 LEU 4 5.639 4.248 -2.590 32 2HD2 LEU 4 HD22 LEU 4 4.144 4.594 -1.720 33 3HD2 LEU 4 HD23 LEU 4 5.655 4.396 -0.834 34 H PHE 5 HN PHE 5 2.459 8.069 -3.673 35 HA PHE 5 HA PHE 5 4.301 9.929 -4.646 36 1HB PHE 5 HB2 PHE 5 2.672 8.716 -6.062 37 2HB PHE 5 HB1 PHE 5 1.366 9.667 -5.355 38 HD1 PHE 5 HD1 PHE 5 4.396 9.796 -7.485 39 HD2 PHE 5 HD2 PHE 5 1.024 11.991 -5.978 40 HE1 PHE 5 HE1 PHE 5 4.841 11.604 -9.123 41 HE2 PHE 5 HE2 PHE 5 1.469 13.799 -7.616 42 HZ PHE 5 HZ PHE 5 3.378 13.605 -9.188 43 H SER 6 HN SER 6 1.194 10.414 -3.003 44 HA SER 6 HA SER 6 1.372 13.280 -3.083 45 1HB SER 6 HB2 SER 6 -0.368 11.983 -1.014 46 2HB SER 6 HB1 SER 6 -0.765 13.223 -2.202 47 HG SER 6 HG SER 6 -1.465 10.803 -2.356 48 H VAL 7 HN VAL 7 2.144 14.674 -1.592 49 HA VAL 7 HA VAL 7 4.059 13.744 0.308 50 HB VAL 7 HB VAL 7 2.969 16.532 0.613 51 1HG1 VAL 7 HG11 VAL 7 5.012 15.688 1.771 52 2HG1 VAL 7 HG12 VAL 7 5.293 17.113 0.772 53 3HG1 VAL 7 HG13 VAL 7 5.787 15.522 0.195 54 1HG2 VAL 7 HG21 VAL 7 4.269 17.212 -1.485 55 2HG2 VAL 7 HG22 VAL 7 2.728 16.411 -1.770 56 3HG2 VAL 7 HG23 VAL 7 4.238 15.512 -1.948 57 HA PRO 8 HA PRO 8 0.482 15.146 3.404 58 1HB PRO 8 HB2 PRO 8 -1.761 13.909 1.828 59 2HB PRO 8 HB1 PRO 8 -1.777 15.365 2.847 60 1HG PRO 8 HG2 PRO 8 -1.769 15.557 0.188 61 2HG PRO 8 HG1 PRO 8 -0.836 16.694 1.183 62 1HD PRO 8 HD2 PRO 8 0.143 14.361 -0.410 63 2HD PRO 8 HD1 PRO 8 0.914 15.923 -0.158 64 H TYR 9 HN TYR 9 0.769 12.268 1.459 65 HA TYR 9 HA TYR 9 -0.379 10.392 3.223 66 1HB TYR 9 HB2 TYR 9 0.116 9.781 0.933 67 2HB TYR 9 HB1 TYR 9 1.830 10.096 1.177 68 HD1 TYR 9 HD1 TYR 9 -0.994 8.028 2.514 69 HD2 TYR 9 HD2 TYR 9 3.245 8.307 1.862 70 HE1 TYR 9 HE1 TYR 9 -0.713 5.702 3.328 71 HE2 TYR 9 HE2 TYR 9 3.526 5.986 2.675 72 HH TYR 9 HH TYR 9 1.421 4.400 4.457 73 H PHE 10 HN PHE 10 2.971 11.530 2.874 74 HA PHE 10 HA PHE 10 4.085 9.901 4.868 75 1HB PHE 10 HB2 PHE 10 4.873 12.389 3.420 76 2HB PHE 10 HB1 PHE 10 5.684 12.156 4.958 77 HD1 PHE 10 HD1 PHE 10 6.378 9.560 5.359 78 HD2 PHE 10 HD2 PHE 10 6.054 11.499 1.549 79 HE1 PHE 10 HE1 PHE 10 7.943 7.906 4.391 80 HE2 PHE 10 HE2 PHE 10 7.607 9.845 0.580 81 HZ PHE 10 HZ PHE 10 8.572 8.051 2.002 82 H ILE 11 HN ILE 11 2.553 13.082 5.057 83 HA ILE 11 HA ILE 11 3.161 13.578 7.763 84 HB ILE 11 HB ILE 11 0.753 14.548 6.219 85 1HG1 ILE 11 HG12 ILE 11 3.572 15.684 6.403 86 2HG1 ILE 11 HG11 ILE 11 2.867 14.944 4.975 87 1HG2 ILE 11 HG21 ILE 11 0.779 14.940 8.713 88 2HG2 ILE 11 HG22 ILE 11 0.836 16.427 7.783 89 3HG2 ILE 11 HG23 ILE 11 2.309 15.790 8.515 90 1HD1 ILE 11 HD11 ILE 11 1.031 16.687 5.093 91 2HD1 ILE 11 HD12 ILE 11 2.631 17.315 4.711 92 3HD1 ILE 11 HD13 ILE 11 1.983 17.477 6.338 93 H GLU 12 HN GLU 12 0.381 12.053 6.178 94 HA GLU 12 HA GLU 12 -1.294 11.695 8.365 95 1HB GLU 12 HB2 GLU 12 -0.844 10.030 5.887 96 2HB GLU 12 HB1 GLU 12 -2.042 9.557 7.087 97 1HG GLU 12 HG2 GLU 12 -3.204 11.684 6.820 98 2HG GLU 12 HG1 GLU 12 -1.975 12.253 5.701 99 H ASN 13 HN ASN 13 1.690 10.076 7.614 100 HA ASN 13 HA ASN 13 1.290 7.825 9.348 101 1HB ASN 13 HB2 ASN 13 3.880 9.004 8.335 102 2HB ASN 13 HB1 ASN 13 3.643 7.388 8.987 103 1HD2 ASN 13 HD21 ASN 13 4.533 8.126 6.226 104 2HD2 ASN 13 HD22 ASN 13 3.391 7.434 5.179 105 H LEU 14 HN LEU 14 2.660 11.042 9.682 106 HA LEU 14 HA LEU 14 3.844 10.649 12.248 107 1HB LEU 14 HB2 LEU 14 2.918 13.317 11.145 108 2HB LEU 14 HB1 LEU 14 4.292 12.979 12.202 109 HG LEU 14 HG LEU 14 4.034 12.121 9.313 110 1HD1 LEU 14 HD11 LEU 14 4.431 14.572 9.737 111 2HD1 LEU 14 HD12 LEU 14 5.693 13.755 8.817 112 3HD1 LEU 14 HD13 LEU 14 5.945 14.113 10.520 113 1HD2 LEU 14 HD21 LEU 14 5.318 10.464 10.466 114 2HD2 LEU 14 HD22 LEU 14 6.227 11.698 11.341 115 3HD2 LEU 14 HD23 LEU 14 6.435 11.504 9.605 116 H LYS 15 HN LYS 15 0.703 11.775 11.110 117 HA LYS 15 HA LYS 15 -0.331 12.854 13.426 118 1HB LYS 15 HB2 LYS 15 -1.725 11.219 11.305 119 2HB LYS 15 HB1 LYS 15 -2.566 12.125 12.563 120 1HG LYS 15 HG2 LYS 15 -1.416 14.202 11.781 121 2HG LYS 15 HG1 LYS 15 -0.702 13.270 10.464 122 1HD LYS 15 HD2 LYS 15 -2.998 12.667 9.697 123 2HD LYS 15 HD1 LYS 15 -3.659 13.698 10.962 124 1HE LYS 15 HE2 LYS 15 -1.802 14.630 8.755 125 2HE LYS 15 HE1 LYS 15 -3.546 14.890 8.794 126 1HZ LYS 15 HZ1 LYS 15 -1.444 16.198 10.301 127 2HZ LYS 15 HZ2 LYS 15 -2.835 15.805 11.194 128 3HZ LYS 15 HZ3 LYS 15 -2.959 16.786 9.813 129 H GLN 16 HN GLN 16 -0.075 9.464 12.459 130 HA GLN 16 HA GLN 16 -1.549 8.373 14.619 131 1HB GLN 16 HB2 GLN 16 -1.032 7.102 12.575 132 2HB GLN 16 HB1 GLN 16 0.679 7.115 13.005 133 1HG GLN 16 HG2 GLN 16 0.260 5.816 15.004 134 2HG GLN 16 HG1 GLN 16 -1.480 5.959 14.792 135 1HE2 GLN 16 HE21 GLN 16 -2.396 4.123 13.870 136 2HE2 GLN 16 HE22 GLN 16 -1.599 3.063 12.811 137 H HIS 17 HN HIS 17 1.787 9.394 14.268 138 HA HIS 17 HA HIS 17 2.788 8.097 16.596 139 1HB HIS 17 HB2 HIS 17 3.801 10.641 15.296 140 2HB HIS 17 HB1 HIS 17 4.700 9.584 16.371 141 HD1 HIS 17 HD1 HIS 17 5.851 9.989 13.595 142 HD2 HIS 17 HD2 HIS 17 3.123 6.961 14.472 143 HE1 HIS 17 HE1 HIS 17 6.166 8.207 11.824 144 HE2 HIS 17 HE2 HIS 17 4.510 6.354 12.344 145 H ILE 18 HN ILE 18 1.750 11.461 16.030 146 HA ILE 18 HA ILE 18 1.965 12.189 18.795 147 HB ILE 18 HB ILE 18 0.863 14.281 18.093 148 1HG1 ILE 18 HG12 ILE 18 0.503 12.764 15.505 149 2HG1 ILE 18 HG11 ILE 18 -0.768 13.442 16.508 150 1HG2 ILE 18 HG21 ILE 18 3.333 13.779 17.641 151 2HG2 ILE 18 HG22 ILE 18 2.629 15.053 16.666 152 3HG2 ILE 18 HG23 ILE 18 2.873 13.446 15.976 153 1HD1 ILE 18 HD11 ILE 18 1.209 14.910 14.780 154 2HD1 ILE 18 HD12 ILE 18 0.354 15.726 16.091 155 3HD1 ILE 18 HD13 ILE 18 -0.553 15.005 14.758 156 H GLU 19 HN GLU 19 -0.735 11.364 16.647 157 HA GLU 19 HA GLU 19 -2.856 11.859 18.382 158 1HB GLU 19 HB2 GLU 19 -3.145 11.219 16.013 159 2HB GLU 19 HB1 GLU 19 -2.599 9.586 16.390 160 1HG GLU 19 HG2 GLU 19 -4.521 9.264 17.874 161 2HG GLU 19 HG1 GLU 19 -5.029 10.930 17.609 162 H MET 20 HN MET 20 -1.165 8.746 17.904 163 HA MET 20 HA MET 20 -2.072 7.898 20.606 164 1HB MET 20 HB2 MET 20 -1.260 6.166 18.259 165 2HB MET 20 HB1 MET 20 -1.890 5.613 19.810 166 1HG MET 20 HG2 MET 20 -3.966 7.036 19.316 167 2HG MET 20 HG1 MET 20 -3.345 7.173 17.670 168 1HE MET 20 HE1 MET 20 -3.535 5.544 15.913 169 2HE MET 20 HE2 MET 20 -3.618 3.796 16.105 170 3HE MET 20 HE3 MET 20 -2.196 4.667 16.665 171 H ASN 21 HN ASN 21 -0.048 5.616 19.889 172 HA ASN 21 HA ASN 21 2.542 6.790 20.086 173 1HB ASN 21 HB2 ASN 21 3.028 6.215 22.428 174 2HB ASN 21 HB1 ASN 21 1.739 7.411 22.328 175 1HD2 ASN 21 HD21 ASN 21 1.601 6.187 24.668 176 2HD2 ASN 21 HD22 ASN 21 0.448 4.942 24.706 177 H GLN 22 HN GLN 22 1.694 4.880 18.415 178 HA GLN 22 HA GLN 22 1.783 2.223 19.236 179 1HB GLN 22 HB2 GLN 22 1.289 3.265 16.887 180 2HB GLN 22 HB1 GLN 22 3.020 3.104 16.610 181 1HG GLN 22 HG2 GLN 22 1.167 0.830 17.412 182 2HG GLN 22 HG1 GLN 22 1.746 1.136 15.779 183 1HE2 GLN 22 HE21 GLN 22 4.214 1.105 15.521 184 2HE2 GLN 22 HE22 GLN 22 5.096 0.044 16.509 185 H SER 23 HN SER 23 4.448 4.359 18.264 186 HA SER 23 HA SER 23 6.317 3.142 20.008 187 1HB SER 23 HB2 SER 23 7.801 2.138 18.250 188 2HB SER 23 HB1 SER 23 6.296 1.263 18.486 189 HG SER 23 HG SER 23 6.181 3.311 16.646 190 H GLU 24 HN GLU 24 5.934 5.670 19.993 191 HA GLU 24 HA GLU 24 8.374 6.811 19.020 192 1HB GLU 24 HB2 GLU 24 6.696 6.751 16.989 193 2HB GLU 24 HB1 GLU 24 5.907 8.091 17.803 194 1HG GLU 24 HG2 GLU 24 7.492 9.099 16.308 195 2HG GLU 24 HG1 GLU 24 8.217 9.215 17.911 196 H ASP 25 HN ASP 25 6.634 9.434 18.858 197 HA ASP 25 HA ASP 25 5.869 9.824 21.644 198 1HB ASP 25 HB2 ASP 25 8.257 11.261 20.451 199 2HB ASP 25 HB1 ASP 25 7.502 11.657 21.996 200 H LYS 26 HN LYS 26 6.009 12.597 21.672 201 HA LYS 26 HA LYS 26 3.791 13.241 19.895 202 1HB LYS 26 HB2 LYS 26 3.831 13.925 22.289 203 2HB LYS 26 HB1 LYS 26 5.183 14.990 21.937 204 1HG LYS 26 HG2 LYS 26 3.811 16.259 20.343 205 2HG LYS 26 HG1 LYS 26 2.476 15.130 20.558 206 1HD LYS 26 HD2 LYS 26 2.313 15.757 22.928 207 2HD LYS 26 HD1 LYS 26 3.681 16.857 22.748 208 1HE LYS 26 HE2 LYS 26 1.121 17.081 21.138 209 2HE LYS 26 HE1 LYS 26 1.441 17.996 22.612 210 1HZ LYS 26 HZ1 LYS 26 3.653 18.535 21.335 211 2HZ LYS 26 HZ2 LYS 26 2.242 19.441 21.080 212 3HZ LYS 26 HZ3 LYS 26 2.686 18.229 19.977 213 H ILE 27 HN ILE 27 5.845 15.879 20.603 214 HA ILE 27 HA ILE 27 6.152 16.553 17.867 215 HB ILE 27 HB ILE 27 7.710 17.642 20.215 216 1HG1 ILE 27 HG12 ILE 27 4.885 18.128 19.211 217 2HG1 ILE 27 HG11 ILE 27 5.468 18.018 20.869 218 1HG2 ILE 27 HG21 ILE 27 8.485 18.147 17.805 219 2HG2 ILE 27 HG22 ILE 27 8.138 19.535 18.808 220 3HG2 ILE 27 HG23 ILE 27 6.958 18.999 17.610 221 1HD1 ILE 27 HD11 ILE 27 4.999 20.305 20.562 222 2HD1 ILE 27 HD12 ILE 27 5.674 20.314 18.930 223 3HD1 ILE 27 HD13 ILE 27 6.748 20.212 20.333 224 H HIS 28 HN HIS 28 8.245 14.982 20.238 225 HA HIS 28 HA HIS 28 10.615 15.048 18.702 226 1HB HIS 28 HB2 HIS 28 9.694 13.113 20.835 227 2HB HIS 28 HB1 HIS 28 11.328 13.163 20.177 228 HD1 HIS 28 HD1 HIS 28 8.981 14.993 22.438 229 HD2 HIS 28 HD2 HIS 28 12.831 15.500 20.919 230 HE1 HIS 28 HE1 HIS 28 10.048 16.847 23.793 231 HE2 HIS 28 HE2 HIS 28 12.395 17.168 22.880 232 H ALA 29 HN ALA 29 7.814 13.811 17.738 233 HA ALA 29 HA ALA 29 8.625 11.225 16.751 234 1HB ALA 29 HB1 ALA 29 6.240 12.943 16.036 235 2HB ALA 29 HB2 ALA 29 6.276 11.691 17.272 236 3HB ALA 29 HB3 ALA 29 6.472 11.256 15.578 237 H MET 30 HN MET 30 8.108 14.445 15.363 238 HA MET 30 HA MET 30 8.680 13.738 12.700 239 1HB MET 30 HB2 MET 30 9.012 16.100 12.305 240 2HB MET 30 HB1 MET 30 7.660 15.898 13.413 241 1HG MET 30 HG2 MET 30 8.850 17.585 14.515 242 2HG MET 30 HG1 MET 30 9.565 16.173 15.259 243 1HE MET 30 HE1 MET 30 12.516 18.555 15.072 244 2HE MET 30 HE2 MET 30 11.139 17.956 15.992 245 3HE MET 30 HE3 MET 30 10.924 19.299 14.870 246 H ASN 31 HN ASN 31 10.793 14.908 15.315 247 HA ASN 31 HA ASN 31 13.153 15.221 13.891 248 1HB ASN 31 HB2 ASN 31 12.953 15.800 16.258 249 2HB ASN 31 HB1 ASN 31 12.793 14.097 16.680 250 1HD2 ASN 31 HD21 ASN 31 14.823 14.786 18.043 251 2HD2 ASN 31 HD22 ASN 31 16.328 14.606 17.282 252 H SER 32 HN SER 32 11.983 12.234 15.478 253 HA SER 32 HA SER 32 14.114 10.609 14.543 254 1HB SER 32 HB2 SER 32 11.307 9.916 15.389 255 2HB SER 32 HB1 SER 32 12.572 8.724 15.098 256 HG SER 32 HG SER 32 12.149 9.783 17.336 257 H TYR 33 HN TYR 33 10.744 10.925 13.383 258 HA TYR 33 HA TYR 33 11.054 9.260 11.135 259 1HB TYR 33 HB2 TYR 33 8.813 9.699 11.712 260 2HB TYR 33 HB1 TYR 33 9.103 11.431 11.888 261 HD1 TYR 33 HD1 TYR 33 9.354 12.876 9.913 262 HD2 TYR 33 HD2 TYR 33 8.387 8.711 9.511 263 HE1 TYR 33 HE1 TYR 33 8.658 13.263 7.565 264 HE2 TYR 33 HE2 TYR 33 7.695 9.096 7.174 265 HH TYR 33 HH TYR 33 7.326 12.285 5.864 266 H TYR 34 HN TYR 34 12.046 12.524 11.733 267 HA TYR 34 HA TYR 34 12.232 13.323 8.964 268 1HB TYR 34 HB2 TYR 34 11.907 14.982 10.743 269 2HB TYR 34 HB1 TYR 34 13.477 14.561 11.435 270 HD1 TYR 34 HD2 TYR 34 11.721 15.930 8.464 271 HD2 TYR 34 HD1 TYR 34 15.499 15.459 10.463 272 HE1 TYR 34 HE2 TYR 34 12.771 17.510 6.866 273 HE2 TYR 34 HE1 TYR 34 16.540 17.053 8.875 274 HH TYR 34 HH TYR 34 15.449 17.816 6.059 275 H ARG 35 HN ARG 35 14.686 12.684 11.463 276 HA ARG 35 HA ARG 35 16.858 12.659 9.657 277 1HB ARG 35 HB2 ARG 35 18.141 11.773 11.520 278 2HB ARG 35 HB1 ARG 35 17.070 13.041 12.085 279 1HG ARG 35 HG2 ARG 35 16.709 11.375 13.699 280 2HG ARG 35 HG1 ARG 35 15.383 11.131 12.594 281 1HD ARG 35 HD2 ARG 35 16.084 9.004 12.115 282 2HD ARG 35 HD1 ARG 35 17.722 9.529 11.783 283 HE ARG 35 HE ARG 35 17.313 9.577 14.572 284 1HH1 ARG 35 HH21 ARG 35 17.529 7.406 11.887 285 2HH1 ARG 35 HH22 ARG 35 18.156 6.092 12.823 286 1HH2 ARG 35 HH11 ARG 35 18.136 7.857 15.806 287 2HH2 ARG 35 HH12 ARG 35 18.501 6.347 15.042 288 H SER 36 HN SER 36 14.479 10.295 10.536 289 HA SER 36 HA SER 36 15.972 7.975 9.769 290 1HB SER 36 HB2 SER 36 13.853 6.803 9.823 291 2HB SER 36 HB1 SER 36 13.942 7.875 11.211 292 HG SER 36 HG SER 36 12.953 9.254 9.185 293 H VAL 37 HN VAL 37 13.454 9.895 8.133 294 HA VAL 37 HA VAL 37 13.639 8.425 5.685 295 HB VAL 37 HB VAL 37 12.475 11.158 6.322 296 1HG1 VAL 37 HG11 VAL 37 12.444 9.552 3.747 297 2HG1 VAL 37 HG12 VAL 37 12.948 11.232 3.973 298 3HG1 VAL 37 HG13 VAL 37 11.245 10.801 4.096 299 1HG2 VAL 37 HG21 VAL 37 11.103 8.520 5.731 300 2HG2 VAL 37 HG22 VAL 37 10.351 10.017 6.285 301 3HG2 VAL 37 HG23 VAL 37 11.421 9.120 7.362 302 H VAL 38 HN VAL 38 14.699 11.725 6.569 303 HA VAL 38 HA VAL 38 16.016 12.379 4.224 304 HB VAL 38 HB VAL 38 16.846 13.041 7.071 305 1HG1 VAL 38 HG11 VAL 38 17.658 14.244 4.406 306 2HG1 VAL 38 HG12 VAL 38 18.714 13.545 5.634 307 3HG1 VAL 38 HG13 VAL 38 17.892 15.070 5.947 308 1HG2 VAL 38 HG21 VAL 38 14.486 13.668 6.292 309 2HG2 VAL 38 HG22 VAL 38 15.250 14.722 5.118 310 3HG2 VAL 38 HG23 VAL 38 15.492 15.005 6.834 311 H SER 39 HN SER 39 17.384 10.656 7.052 312 HA SER 39 HA SER 39 19.989 10.337 6.101 313 1HB SER 39 HB2 SER 39 18.309 8.512 7.822 314 2HB SER 39 HB1 SER 39 20.022 8.251 7.533 315 HG SER 39 HG SER 39 19.331 9.552 9.447 316 H THR 40 HN THR 40 17.238 8.086 5.735 317 HA THR 40 HA THR 40 18.648 6.287 4.035 318 HB THR 40 HB THR 40 15.649 6.642 4.233 319 HG1 THR 40 HG1 THR 40 16.796 4.682 5.723 320 1HG2 THR 40 HG21 THR 40 16.378 5.167 2.433 321 2HG2 THR 40 HG22 THR 40 15.672 4.207 3.726 322 3HG2 THR 40 HG23 THR 40 17.424 4.282 3.540 323 H LEU 41 HN LEU 41 16.351 8.907 3.440 324 HA LEU 41 HA LEU 41 16.100 8.559 0.672 325 1HB LEU 41 HB2 LEU 41 14.878 10.210 2.426 326 2HB LEU 41 HB1 LEU 41 16.032 11.361 1.797 327 HG LEU 41 HG LEU 41 13.996 11.518 0.523 328 1HD1 LEU 41 HD11 LEU 41 16.312 11.542 -0.648 329 2HD1 LEU 41 HD12 LEU 41 14.884 11.370 -1.663 330 3HD1 LEU 41 HD13 LEU 41 15.859 9.960 -1.279 331 1HD2 LEU 41 HD21 LEU 41 13.592 8.835 1.052 332 2HD2 LEU 41 HD22 LEU 41 14.089 8.760 -0.634 333 3HD2 LEU 41 HD23 LEU 41 12.708 9.745 -0.165 334 H VAL 42 HN VAL 42 18.434 10.402 2.575 335 HA VAL 42 HA VAL 42 19.866 11.205 0.144 336 HB VAL 42 HB VAL 42 20.422 11.952 3.023 337 1HG1 VAL 42 HG11 VAL 42 21.634 12.715 0.362 338 2HG1 VAL 42 HG12 VAL 42 22.407 12.567 1.935 339 3HG1 VAL 42 HG13 VAL 42 21.459 13.991 1.564 340 1HG2 VAL 42 HG21 VAL 42 18.169 12.658 2.235 341 2HG2 VAL 42 HG22 VAL 42 18.921 13.483 0.873 342 3HG2 VAL 42 HG23 VAL 42 19.231 14.034 2.521 343 H GLN 43 HN GLN 43 19.750 8.415 1.151 344 HA GLN 43 HA GLN 43 22.527 7.820 0.822 345 1HB GLN 43 HB2 GLN 43 22.179 8.497 3.337 346 2HB GLN 43 HB1 GLN 43 21.423 6.914 3.491 347 1HG GLN 43 HG2 GLN 43 23.482 5.877 2.539 348 2HG GLN 43 HG1 GLN 43 24.231 7.467 2.502 349 1HE2 GLN 43 HE21 GLN 43 25.365 5.387 4.052 350 2HE2 GLN 43 HE22 GLN 43 25.178 5.764 5.696 351 H ASP 44 HN ASP 44 19.834 7.184 -0.262 352 HA ASP 44 HA ASP 44 20.226 4.304 -0.473 353 1HB ASP 44 HB2 ASP 44 18.677 4.757 1.544 354 2HB ASP 44 HB1 ASP 44 17.485 5.286 0.356 355 H GLN 45 HN GLN 45 20.059 6.956 -2.050 356 HA GLN 45 HA GLN 45 18.709 5.778 -4.361 357 1HB GLN 45 HB2 GLN 45 16.901 6.991 -3.159 358 2HB GLN 45 HB1 GLN 45 17.853 8.471 -3.259 359 1HG GLN 45 HG2 GLN 45 17.770 8.442 -5.670 360 2HG GLN 45 HG1 GLN 45 17.020 6.850 -5.683 361 1HE2 GLN 45 HE21 GLN 45 15.807 9.140 -6.929 362 2HE2 GLN 45 HE22 GLN 45 14.382 9.502 -6.079 363 H LEU 46 HN LEU 46 19.535 9.144 -3.593 364 HA LEU 46 HA LEU 46 21.006 10.600 -4.545 365 1HB LEU 46 HB2 LEU 46 22.574 8.765 -3.612 366 2HB LEU 46 HB1 LEU 46 22.694 8.194 -5.272 367 HG LEU 46 HG LEU 46 23.212 10.798 -5.752 368 1HD1 LEU 46 HD11 LEU 46 22.884 11.397 -3.330 369 2HD1 LEU 46 HD12 LEU 46 24.456 11.855 -3.974 370 3HD1 LEU 46 HD13 LEU 46 24.306 10.426 -2.953 371 1HD2 LEU 46 HD21 LEU 46 25.642 10.279 -5.523 372 2HD2 LEU 46 HD22 LEU 46 24.742 8.998 -6.335 373 3HD2 LEU 46 HD23 LEU 46 25.213 8.809 -4.646 374 H THR 47 HN THR 47 18.880 9.767 -6.146 375 HA THR 47 HA THR 47 19.740 8.973 -8.749 376 HB THR 47 HB THR 47 17.175 10.222 -7.759 377 HG1 THR 47 HG1 THR 47 16.616 7.927 -8.498 378 1HG2 THR 47 HG21 THR 47 17.951 9.225 -10.512 379 2HG2 THR 47 HG22 THR 47 17.330 10.816 -10.078 380 3HG2 THR 47 HG23 THR 47 16.276 9.407 -9.991 381 H LYS 48 HN LYS 48 19.048 12.063 -7.223 382 HA LYS 48 HA LYS 48 20.789 13.521 -8.918 383 1HB LYS 48 HB2 LYS 48 18.986 13.083 -10.588 384 2HB LYS 48 HB1 LYS 48 17.856 13.886 -9.525 385 1HG LYS 48 HG2 LYS 48 19.108 15.959 -9.678 386 2HG LYS 48 HG1 LYS 48 20.341 15.171 -10.654 387 1HD LYS 48 HD2 LYS 48 18.673 14.730 -12.402 388 2HD LYS 48 HD1 LYS 48 17.421 15.479 -11.408 389 1HE LYS 48 HE2 LYS 48 18.203 17.130 -13.004 390 2HE LYS 48 HE1 LYS 48 18.786 17.592 -11.401 391 1HZ LYS 48 HZ1 LYS 48 20.449 15.898 -13.145 392 2HZ LYS 48 HZ2 LYS 48 20.922 16.943 -11.892 393 3HZ LYS 48 HZ3 LYS 48 20.414 17.576 -13.385 394 H ASN 49 HN ASN 49 21.133 15.576 -8.157 395 HA ASN 49 HA ASN 49 20.507 16.216 -5.548 396 1HB ASN 49 HB2 ASN 49 20.969 18.201 -7.760 397 2HB ASN 49 HB1 ASN 49 21.183 18.484 -6.033 398 1HD2 ASN 49 HD21 ASN 49 23.198 18.447 -8.347 399 2HD2 ASN 49 HD22 ASN 49 24.403 17.373 -7.823 400 H ALA 50 HN ALA 50 18.804 17.265 -8.498 401 HA ALA 50 HA ALA 50 16.871 18.856 -7.166 402 1HB ALA 50 HB1 ALA 50 17.302 18.995 -9.591 403 2HB ALA 50 HB2 ALA 50 15.595 18.732 -9.240 404 3HB ALA 50 HB3 ALA 50 16.598 17.391 -9.794 405 H VAL 51 HN VAL 51 16.788 15.473 -8.275 406 HA VAL 51 HA VAL 51 14.150 14.865 -7.522 407 HB VAL 51 HB VAL 51 16.621 13.134 -7.664 408 1HG1 VAL 51 HG11 VAL 51 13.752 12.350 -7.067 409 2HG1 VAL 51 HG12 VAL 51 15.207 11.922 -6.165 410 3HG1 VAL 51 HG13 VAL 51 14.914 11.207 -7.745 411 1HG2 VAL 51 HG21 VAL 51 14.201 13.137 -9.495 412 2HG2 VAL 51 HG22 VAL 51 15.812 12.524 -9.820 413 3HG2 VAL 51 HG23 VAL 51 15.539 14.255 -9.752 414 H VAL 52 HN VAL 52 17.155 14.526 -5.637 415 HA VAL 52 HA VAL 52 15.728 13.647 -3.285 416 HB VAL 52 HB VAL 52 17.895 13.737 -2.173 417 1HG1 VAL 52 HG11 VAL 52 17.480 11.834 -3.670 418 2HG1 VAL 52 HG12 VAL 52 19.183 12.291 -3.734 419 3HG1 VAL 52 HG13 VAL 52 18.097 12.758 -5.039 420 1HG2 VAL 52 HG21 VAL 52 18.862 15.788 -2.929 421 2HG2 VAL 52 HG22 VAL 52 18.660 15.316 -4.597 422 3HG2 VAL 52 HG23 VAL 52 19.886 14.541 -3.633 423 H LEU 53 HN LEU 53 17.327 16.667 -4.283 424 HA LEU 53 HA LEU 53 16.992 18.141 -1.967 425 1HB LEU 53 HB2 LEU 53 18.232 19.028 -3.884 426 2HB LEU 53 HB1 LEU 53 16.747 19.117 -4.826 427 HG LEU 53 HG LEU 53 15.859 20.811 -3.257 428 1HD1 LEU 53 HD11 LEU 53 16.793 20.341 -1.152 429 2HD1 LEU 53 HD12 LEU 53 17.680 21.778 -1.632 430 3HD1 LEU 53 HD13 LEU 53 18.429 20.190 -1.789 431 1HD2 LEU 53 HD21 LEU 53 18.642 21.404 -4.287 432 2HD2 LEU 53 HD22 LEU 53 17.441 22.615 -3.840 433 3HD2 LEU 53 HD23 LEU 53 17.144 21.542 -5.207 434 H LYS 54 HN LYS 54 14.760 18.156 -4.750 435 HA LYS 54 HA LYS 54 12.751 19.696 -3.665 436 1HB LYS 54 HB2 LYS 54 11.401 18.927 -5.430 437 2HB LYS 54 HB1 LYS 54 13.011 18.548 -6.038 438 1HG LYS 54 HG2 LYS 54 12.708 16.239 -5.015 439 2HG LYS 54 HG1 LYS 54 11.024 16.648 -4.743 440 1HD LYS 54 HD2 LYS 54 10.846 17.143 -7.204 441 2HD LYS 54 HD1 LYS 54 12.459 16.461 -7.385 442 1HE LYS 54 HE2 LYS 54 10.044 15.023 -6.242 443 2HE LYS 54 HE1 LYS 54 10.753 14.733 -7.830 444 1HZ LYS 54 HZ1 LYS 54 12.263 14.440 -5.293 445 2HZ LYS 54 HZ2 LYS 54 12.732 13.928 -6.843 446 3HZ LYS 54 HZ3 LYS 54 11.451 13.154 -6.043 447 H ARG 55 HN ARG 55 13.472 16.298 -3.145 448 HA ARG 55 HA ARG 55 11.088 15.633 -1.788 449 1HB ARG 55 HB2 ARG 55 12.916 14.069 -2.803 450 2HB ARG 55 HB1 ARG 55 13.750 14.290 -1.277 451 1HG ARG 55 HG2 ARG 55 12.416 12.306 -1.067 452 2HG ARG 55 HG1 ARG 55 11.681 13.554 -0.069 453 1HD ARG 55 HD2 ARG 55 9.770 13.616 -1.371 454 2HD ARG 55 HD1 ARG 55 10.653 13.437 -2.880 455 HE ARG 55 HE ARG 55 10.227 11.188 -2.773 456 1HH1 ARG 55 HH21 ARG 55 10.078 12.578 0.392 457 2HH1 ARG 55 HH22 ARG 55 9.548 11.117 1.159 458 1HH2 ARG 55 HH11 ARG 55 9.525 9.271 -1.775 459 2HH2 ARG 55 HH12 ARG 55 9.237 9.246 -0.068 460 H ILE 56 HN ILE 56 14.278 16.695 -0.677 461 HA ILE 56 HA ILE 56 13.733 16.527 2.082 462 HB ILE 56 HB ILE 56 15.646 18.364 0.601 463 1HG1 ILE 56 HG12 ILE 56 16.061 16.008 0.093 464 2HG1 ILE 56 HG11 ILE 56 17.328 16.615 1.124 465 1HG2 ILE 56 HG21 ILE 56 15.472 17.514 3.506 466 2HG2 ILE 56 HG22 ILE 56 15.365 19.151 2.860 467 3HG2 ILE 56 HG23 ILE 56 16.891 18.279 2.794 468 1HD1 ILE 56 HD11 ILE 56 15.764 15.629 3.040 469 2HD1 ILE 56 HD12 ILE 56 16.857 14.608 2.151 470 3HD1 ILE 56 HD13 ILE 56 15.159 14.643 1.722 471 H GLN 57 HN GLN 57 13.652 19.327 -0.127 472 HA GLN 57 HA GLN 57 12.753 21.220 1.718 473 1HB GLN 57 HB2 GLN 57 12.192 21.001 -1.252 474 2HB GLN 57 HB1 GLN 57 11.893 22.438 -0.273 475 1HG GLN 57 HG2 GLN 57 14.294 22.488 0.351 476 2HG GLN 57 HG1 GLN 57 14.573 21.094 -0.689 477 1HE2 GLN 57 HE21 GLN 57 12.429 22.293 -2.599 478 2HE2 GLN 57 HE22 GLN 57 13.290 23.482 -3.452 479 H HIS 58 HN HIS 58 10.964 18.885 -0.260 480 HA HIS 58 HA HIS 58 8.367 19.836 0.430 481 1HB HIS 58 HB2 HIS 58 9.332 17.159 -0.619 482 2HB HIS 58 HB1 HIS 58 7.630 17.574 -0.412 483 HD1 HIS 58 HD1 HIS 58 9.919 20.291 -1.483 484 HD2 HIS 58 HD2 HIS 58 7.349 17.560 -3.304 485 HE1 HIS 58 HE1 HIS 58 9.606 21.082 -3.869 486 HE2 HIS 58 HE2 HIS 58 8.041 19.427 -4.992 487 H LEU 59 HN LEU 59 10.451 17.249 1.699 488 HA LEU 59 HA LEU 59 8.619 16.208 3.552 489 1HB LEU 59 HB2 LEU 59 10.841 15.199 2.868 490 2HB LEU 59 HB1 LEU 59 11.618 16.359 3.934 491 HG LEU 59 HG LEU 59 10.129 15.478 5.817 492 1HD1 LEU 59 HD11 LEU 59 9.435 12.982 5.297 493 2HD1 LEU 59 HD12 LEU 59 9.368 13.533 3.632 494 3HD1 LEU 59 HD13 LEU 59 8.357 14.294 4.859 495 1HD2 LEU 59 HD21 LEU 59 12.089 13.570 4.511 496 2HD2 LEU 59 HD22 LEU 59 11.536 13.478 6.186 497 3HD2 LEU 59 HD23 LEU 59 12.483 14.864 5.646 498 H ASP 60 HN ASP 60 10.771 18.978 3.699 499 HA ASP 60 HA ASP 60 10.826 19.505 6.423 500 1HB ASP 60 HB2 ASP 60 12.034 20.806 4.661 501 2HB ASP 60 HB1 ASP 60 10.507 21.579 4.242 502 H GLU 61 HN GLU 61 8.277 20.221 4.077 503 HA GLU 61 HA GLU 61 6.626 21.780 5.725 504 1HB GLU 61 HB2 GLU 61 5.033 21.590 4.029 505 2HB GLU 61 HB1 GLU 61 6.485 21.125 3.146 506 1HG GLU 61 HG2 GLU 61 5.879 18.683 3.818 507 2HG GLU 61 HG1 GLU 61 4.312 19.327 4.269 508 H ALA 62 HN ALA 62 7.171 18.339 5.592 509 HA ALA 62 HA ALA 62 4.835 17.539 6.985 510 1HB ALA 62 HB1 ALA 62 7.469 16.054 6.979 511 2HB ALA 62 HB2 ALA 62 6.398 16.076 5.579 512 3HB ALA 62 HB3 ALA 62 5.846 15.386 7.104 513 H TYR 63 HN TYR 63 8.202 17.925 8.071 514 HA TYR 63 HA TYR 63 7.786 17.398 10.746 515 1HB TYR 63 HB2 TYR 63 10.038 17.721 10.707 516 2HB TYR 63 HB1 TYR 63 9.908 18.464 9.117 517 HD1 TYR 63 HD1 TYR 63 9.525 19.181 12.768 518 HD2 TYR 63 HD2 TYR 63 10.283 20.815 8.875 519 HE1 TYR 63 HE1 TYR 63 10.030 21.373 13.793 520 HE2 TYR 63 HE2 TYR 63 10.777 23.016 9.892 521 HH TYR 63 HH TYR 63 11.373 24.003 11.956 522 H ASN 64 HN ASN 64 7.475 20.446 8.963 523 HA ASN 64 HA ASN 64 6.943 22.108 11.194 524 1HB ASN 64 HB2 ASN 64 7.677 22.986 9.012 525 2HB ASN 64 HB1 ASN 64 6.146 22.478 8.300 526 1HD2 ASN 64 HD21 ASN 64 5.676 24.798 7.818 527 2HD2 ASN 64 HD22 ASN 64 5.160 25.830 9.063 528 H LYS 65 HN LYS 65 4.906 20.217 9.052 529 HA LYS 65 HA LYS 65 2.425 21.236 9.880 530 1HB LYS 65 HB2 LYS 65 3.285 18.602 8.686 531 2HB LYS 65 HB1 LYS 65 1.607 18.898 9.083 532 1HG LYS 65 HG2 LYS 65 2.884 21.107 7.516 533 2HG LYS 65 HG1 LYS 65 2.817 19.587 6.655 534 1HD LYS 65 HD2 LYS 65 0.808 20.836 6.164 535 2HD LYS 65 HD1 LYS 65 0.361 19.448 7.150 536 1HE LYS 65 HE2 LYS 65 0.213 20.818 9.134 537 2HE LYS 65 HE1 LYS 65 0.899 22.208 8.289 538 1HZ LYS 65 HZ1 LYS 65 -1.214 21.455 6.751 539 2HZ LYS 65 HZ2 LYS 65 -1.189 22.754 7.847 540 3HZ LYS 65 HZ3 LYS 65 -1.788 21.239 8.332 541 H VAL 66 HN VAL 66 4.545 18.774 11.229 542 HA VAL 66 HA VAL 66 2.691 17.649 13.034 543 HB VAL 66 HB VAL 66 5.721 17.799 13.123 544 1HG1 VAL 66 HG11 VAL 66 5.044 17.454 15.395 545 2HG1 VAL 66 HG12 VAL 66 5.444 15.858 14.763 546 3HG1 VAL 66 HG13 VAL 66 3.756 16.350 14.917 547 1HG2 VAL 66 HG21 VAL 66 4.765 16.518 11.250 548 2HG2 VAL 66 HG22 VAL 66 3.778 15.592 12.374 549 3HG2 VAL 66 HG23 VAL 66 5.532 15.444 12.414 550 H LYS 67 HN LYS 67 5.033 20.274 13.376 551 HA LYS 67 HA LYS 67 4.485 20.821 16.096 552 1HB LYS 67 HB2 LYS 67 5.608 22.577 13.939 553 2HB LYS 67 HB1 LYS 67 5.674 22.884 15.661 554 1HG LYS 67 HG2 LYS 67 6.636 20.156 14.946 555 2HG LYS 67 HG1 LYS 67 7.567 21.413 14.198 556 1HD LYS 67 HD2 LYS 67 6.926 21.424 17.164 557 2HD LYS 67 HD1 LYS 67 8.336 20.582 16.519 558 1HE LYS 67 HE2 LYS 67 9.210 22.687 15.588 559 2HE LYS 67 HE1 LYS 67 7.804 23.560 16.164 560 1HZ LYS 67 HZ1 LYS 67 9.648 23.812 17.677 561 2HZ LYS 67 HZ2 LYS 67 9.767 22.128 17.864 562 3HZ LYS 67 HZ3 LYS 67 8.392 22.954 18.429 563 H ARG 68 HN ARG 68 3.328 22.203 13.061 564 HA ARG 68 HA ARG 68 1.601 24.102 14.380 565 1HB ARG 68 HB2 ARG 68 2.741 24.460 12.133 566 2HB ARG 68 HB1 ARG 68 1.595 23.306 11.453 567 1HG ARG 68 HG2 ARG 68 -0.275 24.699 12.135 568 2HG ARG 68 HG1 ARG 68 0.803 25.809 12.965 569 1HD ARG 68 HD2 ARG 68 1.911 26.276 10.775 570 2HD ARG 68 HD1 ARG 68 0.699 25.262 9.995 571 HE ARG 68 HE ARG 68 -0.854 26.971 10.263 572 1HH1 ARG 68 HH21 ARG 68 1.930 27.503 12.249 573 2HH1 ARG 68 HH22 ARG 68 1.460 29.103 12.716 574 1HH2 ARG 68 HH11 ARG 68 -1.472 29.071 10.864 575 2HH2 ARG 68 HH12 ARG 68 -0.466 29.990 11.933 576 H GLY 69 HN GLY 69 1.444 20.805 13.680 577 1HA GLY 69 HA2 GLY 69 -1.496 20.744 13.364 578 2HA GLY 69 HA1 GLY 69 -0.387 19.395 13.151 579 H GLU 70 HN GLU 70 1.041 20.102 15.669 580 HA GLU 70 HA GLU 70 -0.712 18.638 17.484 581 1HB GLU 70 HB2 GLU 70 1.265 18.410 18.877 582 2HB GLU 70 HB1 GLU 70 1.664 17.995 17.219 583 1HG GLU 70 HG2 GLU 70 3.446 19.395 17.741 584 2HG GLU 70 HG1 GLU 70 2.315 20.514 17.021 585 H SER 71 HN SER 71 0.636 21.839 17.070 586 HA SER 71 HA SER 71 -0.621 22.757 19.600 587 1HB SER 71 HB2 SER 71 1.752 23.255 19.453 588 2HB SER 71 HB1 SER 71 1.534 24.011 17.881 589 HG SER 71 HG SER 71 0.084 24.858 20.153 590 H LYS 72 HN LYS 72 -0.863 25.404 19.083 591 HA LYS 72 HA LYS 72 -2.306 25.883 16.619 592 1HB LYS 72 HB2 LYS 72 -4.434 26.491 17.926 593 2HB LYS 72 HB1 LYS 72 -4.102 24.773 17.700 594 1HG LYS 72 HG2 LYS 72 -3.282 24.525 19.936 595 2HG LYS 72 HG1 LYS 72 -3.198 26.262 20.182 596 1HD LYS 72 HD2 LYS 72 -5.167 25.300 21.315 597 2HD LYS 72 HD1 LYS 72 -5.642 26.436 20.053 598 1HE LYS 72 HE2 LYS 72 -6.911 24.184 20.141 599 2HE LYS 72 HE1 LYS 72 -6.297 24.690 18.571 600 1HZ LYS 72 HZ1 LYS 72 -5.813 22.343 19.152 601 2HZ LYS 72 HZ2 LYS 72 -4.828 22.895 20.422 602 3HZ LYS 72 HZ3 LYS 72 -4.428 23.260 18.812 603 H LEU 73 HN LEU 73 -0.343 27.349 16.909 604 HA LEU 73 HA LEU 73 0.505 29.440 17.257 605 1HB LEU 73 HB2 LEU 73 -1.726 29.955 16.128 606 2HB LEU 73 HB1 LEU 73 -2.371 30.254 17.738 607 HG LEU 73 HG LEU 73 -0.225 31.857 17.950 608 1HD1 LEU 73 HD11 LEU 73 -0.763 31.898 14.969 609 2HD1 LEU 73 HD12 LEU 73 0.667 31.183 15.707 610 3HD1 LEU 73 HD13 LEU 73 0.373 32.912 15.849 611 1HD2 LEU 73 HD21 LEU 73 -1.611 33.737 17.104 612 2HD2 LEU 73 HD22 LEU 73 -2.532 32.643 18.137 613 3HD2 LEU 73 HD23 LEU 73 -2.723 32.574 16.384 614 H GLU 74 HN GLU 74 1.161 28.213 19.359 615 HA GLU 74 HA GLU 74 0.592 30.034 21.584 616 1HB GLU 74 HB2 GLU 74 0.091 27.040 21.715 617 2HB GLU 74 HB1 GLU 74 0.235 28.065 23.138 618 1HG GLU 74 HG2 GLU 74 -1.850 28.402 20.959 619 2HG GLU 74 HG1 GLU 74 -2.131 27.685 22.526 620 H HIS 75 HN HIS 75 2.643 30.746 21.636 621 HA HIS 75 HA HIS 75 4.595 29.114 22.936 622 1HB HIS 75 HB2 HIS 75 6.297 29.226 21.120 623 2HB HIS 75 HB1 HIS 75 4.918 28.207 20.707 624 HD1 HIS 75 HD1 HIS 75 6.153 31.767 20.145 625 HD2 HIS 75 HD2 HIS 75 3.602 28.974 18.392 626 HE1 HIS 75 HE1 HIS 75 5.391 32.772 17.949 627 HE2 HIS 75 HE2 HIS 75 3.835 31.081 16.868 628 H HIS 76 HN HIS 76 5.954 30.380 24.048 629 HA HIS 76 HA HIS 76 6.886 32.279 24.931 630 1HB HIS 76 HB2 HIS 76 8.143 32.235 22.807 631 2HB HIS 76 HB1 HIS 76 6.874 33.181 22.037 632 HD1 HIS 76 HD1 HIS 76 8.931 34.941 21.686 633 HD2 HIS 76 HD2 HIS 76 7.557 34.458 25.593 634 HE1 HIS 76 HE1 HIS 76 9.791 36.927 23.001 635 HE2 HIS 76 HE2 HIS 76 8.963 36.644 25.385 636 H HIS 77 HN HIS 77 5.706 33.571 26.193 637 HA HIS 77 HA HIS 77 3.147 34.534 25.628 638 1HB HIS 77 HB2 HIS 77 4.123 34.392 27.906 639 2HB HIS 77 HB1 HIS 77 5.188 35.742 27.515 640 HD1 HIS 77 HD1 HIS 77 1.441 35.000 27.492 641 HD2 HIS 77 HD2 HIS 77 4.053 38.189 28.115 642 HE1 HIS 77 HE1 HIS 77 0.009 36.981 28.156 643 HE2 HIS 77 HE2 HIS 77 1.586 38.932 28.539 644 H HIS 78 HN HIS 78 6.309 36.102 25.250 645 HA HIS 78 HA HIS 78 6.947 38.023 24.163 646 1HB HIS 78 HB2 HIS 78 6.183 36.743 22.213 647 2HB HIS 78 HB1 HIS 78 4.539 37.325 22.461 648 HD1 HIS 78 HD1 HIS 78 4.920 38.355 19.956 649 HD2 HIS 78 HD2 HIS 78 7.096 40.128 23.038 650 HE1 HIS 78 HE1 HIS 78 5.713 40.594 19.079 651 HE2 HIS 78 HE2 HIS 78 7.043 41.685 20.946 652 H HIS 79 HN HIS 79 6.696 39.730 25.513 653 HA HIS 79 HA HIS 79 4.213 40.748 26.415 654 1HB HIS 79 HB2 HIS 79 6.917 42.102 26.245 655 2HB HIS 79 HB1 HIS 79 5.537 42.690 27.173 656 HD1 HIS 79 HD1 HIS 79 4.634 40.971 29.079 657 HD2 HIS 79 HD2 HIS 79 8.462 40.232 27.600 658 HE1 HIS 79 HE1 HIS 79 5.758 39.426 30.741 659 HE2 HIS 79 HE2 HIS 79 8.093 38.966 29.853 660 H HIS 80 HN HIS 80 2.856 42.244 25.595 661 HA HIS 80 HA HIS 80 2.957 42.896 22.841 662 1HB HIS 80 HB2 HIS 80 0.862 42.756 24.184 663 2HB HIS 80 HB1 HIS 80 1.329 44.240 25.014 664 HD1 HIS 80 HD1 HIS 80 0.857 46.427 23.834 665 HD2 HIS 80 HD2 HIS 80 0.398 43.141 21.309 666 HE1 HIS 80 HE1 HIS 80 -0.137 47.313 21.680 667 HE2 HIS 80 HE2 HIS 80 -0.423 45.322 20.130 668 1H MET 1 HT1 MET 1 42.331 27.474 21.758 669 2H MET 1 HT2 MET 1 41.492 28.685 22.605 670 3H MET 1 HT3 MET 1 43.181 28.567 22.738 671 HA MET 1 HA MET 1 42.751 30.372 21.293 672 1HB MET 1 HB2 MET 1 43.515 27.839 19.809 673 2HB MET 1 HB1 MET 1 43.699 29.459 19.137 674 1HG MET 1 HG2 MET 1 45.185 30.088 20.977 675 2HG MET 1 HG1 MET 1 44.949 28.514 21.733 676 1HE MET 1 HE1 MET 1 47.511 29.617 18.118 677 2HE MET 1 HE2 MET 1 46.918 30.654 19.411 678 3HE MET 1 HE3 MET 1 45.801 30.056 18.188 679 H SER 2 HN SER 2 40.955 27.449 20.440 680 HA SER 2 HA SER 2 39.053 27.122 19.184 681 1HB SER 2 HB2 SER 2 37.967 28.361 20.928 682 2HB SER 2 HB1 SER 2 38.564 29.891 20.295 683 HG SER 2 HG SER 2 36.848 28.104 18.904 684 H GLU 3 HN GLU 3 39.759 26.939 17.100 685 HA GLU 3 HA GLU 3 39.251 29.207 15.331 686 1HB GLU 3 HB2 GLU 3 41.471 29.017 14.238 687 2HB GLU 3 HB1 GLU 3 41.587 29.589 15.902 688 1HG GLU 3 HG2 GLU 3 42.080 27.259 16.636 689 2HG GLU 3 HG1 GLU 3 42.059 26.746 14.950 690 H LEU 4 HN LEU 4 39.250 28.586 13.073 691 HA LEU 4 HA LEU 4 38.044 26.018 12.707 692 1HB LEU 4 HB2 LEU 4 37.728 28.294 11.384 693 2HB LEU 4 HB1 LEU 4 39.034 27.680 10.380 694 HG LEU 4 HG LEU 4 36.415 26.257 10.972 695 1HD1 LEU 4 HD11 LEU 4 36.291 28.210 9.415 696 2HD1 LEU 4 HD12 LEU 4 35.887 26.676 8.645 697 3HD1 LEU 4 HD13 LEU 4 37.469 27.408 8.375 698 1HD2 LEU 4 HD21 LEU 4 37.321 24.710 9.097 699 2HD2 LEU 4 HD22 LEU 4 38.022 24.532 10.696 700 3HD2 LEU 4 HD23 LEU 4 38.899 25.417 9.446 701 H PHE 5 HN PHE 5 39.313 24.293 12.987 702 HA PHE 5 HA PHE 5 41.975 24.193 11.681 703 1HB PHE 5 HB2 PHE 5 41.835 23.649 14.105 704 2HB PHE 5 HB1 PHE 5 40.751 22.316 13.718 705 HD1 PHE 5 HD2 PHE 5 44.125 23.722 12.935 706 HD2 PHE 5 HD1 PHE 5 41.673 20.201 13.085 707 HE1 PHE 5 HE2 PHE 5 46.106 22.318 12.426 708 HE2 PHE 5 HE1 PHE 5 43.649 18.798 12.575 709 HZ PHE 5 HZ PHE 5 45.867 19.856 12.247 710 H SER 6 HN SER 6 40.887 23.979 9.577 711 HA SER 6 HA SER 6 40.155 22.752 7.782 712 1HB SER 6 HB2 SER 6 42.209 21.509 8.241 713 2HB SER 6 HB1 SER 6 41.369 20.516 9.424 714 HG SER 6 HG SER 6 41.438 20.325 6.713 715 H VAL 7 HN VAL 7 39.109 20.195 7.540 716 HA VAL 7 HA VAL 7 36.416 20.531 8.250 717 HB VAL 7 HB VAL 7 38.055 18.191 7.311 718 1HG1 VAL 7 HG11 VAL 7 36.608 17.006 8.824 719 2HG1 VAL 7 HG12 VAL 7 35.860 16.850 7.241 720 3HG1 VAL 7 HG13 VAL 7 35.233 18.024 8.397 721 1HG2 VAL 7 HG21 VAL 7 36.610 18.269 5.397 722 2HG2 VAL 7 HG22 VAL 7 37.212 19.893 5.727 723 3HG2 VAL 7 HG23 VAL 7 35.565 19.451 6.185 724 HA PRO 8 HA PRO 8 37.480 17.157 11.823 725 1HB PRO 8 HB2 PRO 8 39.939 18.656 12.652 726 2HB PRO 8 HB1 PRO 8 39.610 16.919 12.719 727 1HG PRO 8 HG2 PRO 8 41.134 18.214 10.762 728 2HG PRO 8 HG1 PRO 8 40.466 16.582 10.640 729 1HD PRO 8 HD2 PRO 8 39.714 18.853 9.083 730 2HD PRO 8 HD1 PRO 8 38.982 17.251 9.055 731 H TYR 9 HN TYR 9 37.951 20.609 11.602 732 HA TYR 9 HA TYR 9 37.490 21.403 14.237 733 1HB TYR 9 HB2 TYR 9 38.223 22.934 12.463 734 2HB TYR 9 HB1 TYR 9 36.660 22.774 11.668 735 HD1 TYR 9 HD1 TYR 9 38.316 23.853 14.824 736 HD2 TYR 9 HD2 TYR 9 34.777 24.084 12.397 737 HE1 TYR 9 HE1 TYR 9 37.410 25.618 16.311 738 HE2 TYR 9 HE2 TYR 9 33.874 25.848 13.883 739 HH TYR 9 HH TYR 9 35.047 26.471 16.917 740 H PHE 10 HN PHE 10 35.212 20.600 11.641 741 HA PHE 10 HA PHE 10 32.844 21.397 12.927 742 1HB PHE 10 HB2 PHE 10 33.591 19.828 10.567 743 2HB PHE 10 HB1 PHE 10 32.198 19.104 11.352 744 HD1 PHE 10 HD1 PHE 10 33.425 22.601 10.696 745 HD2 PHE 10 HD2 PHE 10 30.150 19.838 10.441 746 HE1 PHE 10 HE1 PHE 10 31.998 24.378 9.721 747 HE2 PHE 10 HE2 PHE 10 28.725 21.610 9.461 748 HZ PHE 10 HZ PHE 10 29.645 23.880 9.104 749 H ILE 11 HN ILE 11 34.556 18.282 12.967 750 HA ILE 11 HA ILE 11 32.656 16.982 14.641 751 HB ILE 11 HB ILE 11 35.569 16.378 14.063 752 1HG1 ILE 11 HG12 ILE 11 33.045 15.035 13.049 753 2HG1 ILE 11 HG11 ILE 11 33.865 16.307 12.159 754 1HG2 ILE 11 HG21 ILE 11 33.440 14.807 15.559 755 2HG2 ILE 11 HG22 ILE 11 35.030 15.300 16.158 756 3HG2 ILE 11 HG23 ILE 11 34.903 14.061 14.915 757 1HD1 ILE 11 HD11 ILE 11 35.889 14.981 12.007 758 2HD1 ILE 11 HD12 ILE 11 34.537 14.004 11.435 759 3HD1 ILE 11 HD13 ILE 11 35.200 13.737 13.047 760 H GLU 12 HN GLU 12 35.715 18.649 15.250 761 HA GLU 12 HA GLU 12 36.084 18.106 17.926 762 1HB GLU 12 HB2 GLU 12 37.617 19.428 16.424 763 2HB GLU 12 HB1 GLU 12 36.541 20.809 16.634 764 1HG GLU 12 HG2 GLU 12 36.884 20.724 19.064 765 2HG GLU 12 HG1 GLU 12 37.924 19.316 18.870 766 H ASN 13 HN ASN 13 33.691 20.131 16.423 767 HA ASN 13 HA ASN 13 32.930 21.554 18.807 768 1HB ASN 13 HB2 ASN 13 31.537 21.175 16.151 769 2HB ASN 13 HB1 ASN 13 30.966 22.235 17.436 770 1HD2 ASN 13 HD21 ASN 13 32.104 22.849 14.636 771 2HD2 ASN 13 HD22 ASN 13 33.342 23.969 14.939 772 H LEU 14 HN LEU 14 31.944 18.614 17.165 773 HA LEU 14 HA LEU 14 29.561 18.185 18.701 774 1HB LEU 14 HB2 LEU 14 31.153 16.075 17.220 775 2HB LEU 14 HB1 LEU 14 29.427 16.086 17.585 776 HG LEU 14 HG LEU 14 30.813 18.076 15.770 777 1HD1 LEU 14 HD11 LEU 14 29.902 16.915 13.919 778 2HD1 LEU 14 HD12 LEU 14 28.945 15.855 14.944 779 3HD1 LEU 14 HD13 LEU 14 30.700 15.693 14.905 780 1HD2 LEU 14 HD21 LEU 14 28.386 18.512 15.104 781 2HD2 LEU 14 HD22 LEU 14 28.877 19.125 16.669 782 3HD2 LEU 14 HD23 LEU 14 27.924 17.644 16.561 783 H LYS 15 HN LYS 15 32.905 17.071 18.887 784 HA LYS 15 HA LYS 15 32.610 15.148 20.871 785 1HB LYS 15 HB2 LYS 15 34.671 15.498 19.544 786 2HB LYS 15 HB1 LYS 15 34.980 16.970 20.465 787 1HG LYS 15 HG2 LYS 15 35.094 15.687 22.546 788 2HG LYS 15 HG1 LYS 15 34.670 14.209 21.685 789 1HD LYS 15 HD2 LYS 15 36.729 14.408 20.338 790 2HD LYS 15 HD1 LYS 15 37.154 15.881 21.211 791 1HE LYS 15 HE2 LYS 15 38.355 14.019 22.211 792 2HE LYS 15 HE1 LYS 15 37.117 14.561 23.343 793 1HZ LYS 15 HZ1 LYS 15 35.983 12.658 23.144 794 2HZ LYS 15 HZ2 LYS 15 37.444 12.021 22.552 795 3HZ LYS 15 HZ3 LYS 15 36.242 12.543 21.471 796 H GLN 16 HN GLN 16 32.954 18.647 21.053 797 HA GLN 16 HA GLN 16 33.297 18.822 23.872 798 1HB GLN 16 HB2 GLN 16 33.869 20.653 22.307 799 2HB GLN 16 HB1 GLN 16 32.152 20.877 21.971 800 1HG GLN 16 HG2 GLN 16 31.709 21.484 24.267 801 2HG GLN 16 HG1 GLN 16 33.349 21.052 24.753 802 1HE2 GLN 16 HE21 GLN 16 32.261 23.688 25.176 803 2HE2 GLN 16 HE22 GLN 16 33.134 24.772 24.204 804 H HIS 17 HN HIS 17 30.445 18.915 21.771 805 HA HIS 17 HA HIS 17 28.568 19.594 23.744 806 1HB HIS 17 HB2 HIS 17 28.232 17.849 21.288 807 2HB HIS 17 HB1 HIS 17 26.908 18.543 22.222 808 HD1 HIS 17 HD1 HIS 17 28.067 19.203 19.158 809 HD2 HIS 17 HD2 HIS 17 28.138 21.616 22.557 810 HE1 HIS 17 HE1 HIS 17 28.277 21.591 18.339 811 HE2 HIS 17 HE2 HIS 17 28.324 23.071 20.401 812 H ILE 18 HN ILE 18 29.591 16.376 22.604 813 HA ILE 18 HA ILE 18 28.007 14.977 24.555 814 HB ILE 18 HB ILE 18 29.219 12.982 23.764 815 1HG1 ILE 18 HG12 ILE 18 30.859 15.031 22.273 816 2HG1 ILE 18 HG11 ILE 18 31.459 13.913 23.489 817 1HG2 ILE 18 HG21 ILE 18 27.329 14.106 22.433 818 2HG2 ILE 18 HG22 ILE 18 28.359 13.014 21.527 819 3HG2 ILE 18 HG23 ILE 18 28.581 14.758 21.384 820 1HD1 ILE 18 HD11 ILE 18 30.568 13.310 20.679 821 2HD1 ILE 18 HD12 ILE 18 30.606 12.044 21.906 822 3HD1 ILE 18 HD13 ILE 18 32.087 12.890 21.465 823 H GLU 19 HN GLU 19 31.404 15.939 24.303 824 HA GLU 19 HA GLU 19 32.228 14.572 26.697 825 1HB GLU 19 HB2 GLU 19 33.786 15.239 24.868 826 2HB GLU 19 HB1 GLU 19 33.525 16.923 25.293 827 1HG GLU 19 HG2 GLU 19 35.569 16.231 26.362 828 2HG GLU 19 HG1 GLU 19 34.368 16.360 27.633 829 H MET 20 HN MET 20 31.913 18.092 26.042 830 HA MET 20 HA MET 20 31.836 18.679 28.890 831 1HB MET 20 HB2 MET 20 31.706 20.377 26.388 832 2HB MET 20 HB1 MET 20 31.382 21.068 27.962 833 1HG MET 20 HG2 MET 20 33.732 21.348 27.309 834 2HG MET 20 HG1 MET 20 33.580 20.347 28.751 835 1HE MET 20 HE1 MET 20 35.632 20.632 25.685 836 2HE MET 20 HE2 MET 20 36.569 19.236 26.216 837 3HE MET 20 HE3 MET 20 36.116 20.479 27.380 838 H ASN 21 HN ASN 21 29.614 19.555 26.230 839 HA ASN 21 HA ASN 21 27.326 19.501 26.096 840 1HB ASN 21 HB2 ASN 21 27.642 17.279 27.430 841 2HB ASN 21 HB1 ASN 21 27.169 18.213 28.841 842 1HD2 ASN 21 HD21 ASN 21 25.973 17.859 25.446 843 2HD2 ASN 21 HD22 ASN 21 24.350 17.746 25.911 844 H GLN 22 HN GLN 22 28.584 21.773 26.865 845 HA GLN 22 HA GLN 22 27.867 22.930 29.267 846 1HB GLN 22 HB2 GLN 22 29.412 23.955 27.629 847 2HB GLN 22 HB1 GLN 22 28.040 24.300 26.575 848 1HG GLN 22 HG2 GLN 22 27.050 25.773 28.224 849 2HG GLN 22 HG1 GLN 22 28.254 25.311 29.427 850 1HE2 GLN 22 HE21 GLN 22 27.946 28.039 28.732 851 2HE2 GLN 22 HE22 GLN 22 29.318 28.546 27.872 852 H SER 23 HN SER 23 26.042 22.709 26.246 853 HA SER 23 HA SER 23 23.523 22.954 27.645 854 1HB SER 23 HB2 SER 23 24.156 25.333 27.441 855 2HB SER 23 HB1 SER 23 24.336 25.132 25.701 856 HG SER 23 HG SER 23 22.045 24.254 25.948 857 H GLU 24 HN GLU 24 23.917 20.779 26.472 858 HA GLU 24 HA GLU 24 22.256 20.814 24.093 859 1HB GLU 24 HB2 GLU 24 24.715 21.229 23.352 860 2HB GLU 24 HB1 GLU 24 25.005 19.555 23.785 861 1HG GLU 24 HG2 GLU 24 24.458 19.527 21.443 862 2HG GLU 24 HG1 GLU 24 23.013 18.953 22.265 863 H ASP 25 HN ASP 25 23.944 18.102 23.699 864 HA ASP 25 HA ASP 25 22.961 16.487 25.900 865 1HB ASP 25 HB2 ASP 25 21.667 16.373 23.170 866 2HB ASP 25 HB1 ASP 25 21.531 15.069 24.354 867 H LYS 26 HN LYS 26 23.032 14.035 24.888 868 HA LYS 26 HA LYS 26 25.848 13.717 24.219 869 1HB LYS 26 HB2 LYS 26 24.662 12.306 25.910 870 2HB LYS 26 HB1 LYS 26 23.739 11.575 24.608 871 1HG LYS 26 HG2 LYS 26 25.860 10.856 23.535 872 2HG LYS 26 HG1 LYS 26 26.765 11.578 24.862 873 1HD LYS 26 HD2 LYS 26 25.609 10.069 26.455 874 2HD LYS 26 HD1 LYS 26 24.739 9.329 25.110 875 1HE LYS 26 HE2 LYS 26 26.879 8.634 24.101 876 2HE LYS 26 HE1 LYS 26 27.749 9.375 25.445 877 1HZ LYS 26 HZ1 LYS 26 27.157 7.738 26.860 878 2HZ LYS 26 HZ2 LYS 26 27.059 6.831 25.427 879 3HZ LYS 26 HZ3 LYS 26 25.650 7.475 26.127 880 H ILE 27 HN ILE 27 23.768 11.317 22.918 881 HA ILE 27 HA ILE 27 24.833 11.551 20.304 882 HB ILE 27 HB ILE 27 22.288 10.166 21.164 883 1HG1 ILE 27 HG12 ILE 27 24.182 9.445 22.544 884 2HG1 ILE 27 HG11 ILE 27 23.721 8.163 21.434 885 1HG2 ILE 27 HG21 ILE 27 22.425 10.329 18.763 886 2HG2 ILE 27 HG22 ILE 27 22.849 8.680 19.219 887 3HG2 ILE 27 HG23 ILE 27 24.115 9.824 18.777 888 1HD1 ILE 27 HD11 ILE 27 26.062 8.183 21.259 889 2HD1 ILE 27 HD12 ILE 27 26.154 9.931 21.366 890 3HD1 ILE 27 HD13 ILE 27 25.599 9.174 19.882 891 H HIS 28 HN HIS 28 21.927 12.833 21.796 892 HA HIS 28 HA HIS 28 20.623 13.640 19.421 893 1HB HIS 28 HB2 HIS 28 20.461 14.615 22.272 894 2HB HIS 28 HB1 HIS 28 19.429 15.250 20.998 895 HD1 HIS 28 HD1 HIS 28 20.255 11.994 22.771 896 HD2 HIS 28 HD2 HIS 28 17.259 13.615 20.366 897 HE1 HIS 28 HE1 HIS 28 18.370 10.303 22.738 898 HE2 HIS 28 HE2 HIS 28 16.536 11.277 21.277 899 H ALA 29 HN ALA 29 23.543 14.644 20.672 900 HA ALA 29 HA ALA 29 23.486 17.443 20.279 901 1HB ALA 29 HB1 ALA 29 25.292 16.267 21.484 902 2HB ALA 29 HB2 ALA 29 25.926 17.286 20.201 903 3HB ALA 29 HB3 ALA 29 25.823 15.540 19.974 904 H MET 30 HN MET 30 24.555 14.805 18.145 905 HA MET 30 HA MET 30 25.258 16.363 15.938 906 1HB MET 30 HB2 MET 30 25.805 14.019 15.971 907 2HB MET 30 HB1 MET 30 24.113 13.568 16.115 908 1HG MET 30 HG2 MET 30 25.079 15.136 13.708 909 2HG MET 30 HG1 MET 30 25.250 13.391 13.770 910 1HE MET 30 HE1 MET 30 21.778 11.986 14.023 911 2HE MET 30 HE2 MET 30 23.437 11.899 14.590 912 3HE MET 30 HE3 MET 30 23.088 11.773 12.865 913 H ASN 31 HN ASN 31 22.111 14.873 16.763 914 HA ASN 31 HA ASN 31 20.700 15.617 14.493 915 1HB ASN 31 HB2 ASN 31 19.659 15.575 17.337 916 2HB ASN 31 HB1 ASN 31 18.678 15.503 15.876 917 1HD2 ASN 31 HD21 ASN 31 18.580 13.483 14.725 918 2HD2 ASN 31 HD22 ASN 31 19.283 12.060 15.328 919 H SER 32 HN SER 32 21.404 17.517 17.400 920 HA SER 32 HA SER 32 19.854 19.788 16.557 921 1HB SER 32 HB2 SER 32 20.252 19.653 18.878 922 2HB SER 32 HB1 SER 32 21.967 19.328 18.644 923 HG SER 32 HG SER 32 22.298 21.417 18.101 924 H TYR 33 HN TYR 33 23.377 19.195 16.729 925 HA TYR 33 HA TYR 33 24.141 21.568 15.393 926 1HB TYR 33 HB2 TYR 33 25.716 20.271 16.737 927 2HB TYR 33 HB1 TYR 33 25.578 18.908 15.622 928 HD1 TYR 33 HD1 TYR 33 26.378 19.127 13.273 929 HD2 TYR 33 HD2 TYR 33 27.104 22.185 16.198 930 HE1 TYR 33 HE1 TYR 33 28.127 20.115 11.804 931 HE2 TYR 33 HE2 TYR 33 28.859 23.168 14.743 932 HH TYR 33 HH TYR 33 30.436 21.938 12.674 933 H TYR 34 HN TYR 34 22.971 18.511 14.234 934 HA TYR 34 HA TYR 34 23.987 18.726 11.557 935 1HB TYR 34 HB2 TYR 34 23.283 16.573 12.661 936 2HB TYR 34 HB1 TYR 34 21.610 17.091 12.490 937 HD1 TYR 34 HD2 TYR 34 20.717 17.548 10.160 938 HD2 TYR 34 HD1 TYR 34 24.506 15.625 10.852 939 HE1 TYR 34 HE2 TYR 34 20.720 16.710 7.825 940 HE2 TYR 34 HE1 TYR 34 24.506 14.792 8.514 941 HH TYR 34 HH TYR 34 21.708 14.979 6.502 942 H ARG 35 HN ARG 35 20.767 19.246 12.999 943 HA ARG 35 HA ARG 35 19.636 20.284 10.593 944 1HB ARG 35 HB2 ARG 35 17.680 20.751 11.903 945 2HB ARG 35 HB1 ARG 35 18.314 19.180 12.393 946 1HG ARG 35 HG2 ARG 35 19.457 20.280 14.294 947 2HG ARG 35 HG1 ARG 35 18.730 21.810 13.856 948 1HD ARG 35 HD2 ARG 35 17.410 20.769 15.596 949 2HD ARG 35 HD1 ARG 35 16.495 20.793 14.090 950 HE ARG 35 HE ARG 35 17.926 18.349 14.312 951 1HH1 ARG 35 HH21 ARG 35 15.263 20.126 15.626 952 2HH1 ARG 35 HH22 ARG 35 14.357 18.718 16.066 953 1HH2 ARG 35 HH11 ARG 35 16.741 16.492 14.887 954 2HH2 ARG 35 HH12 ARG 35 15.194 16.664 15.644 955 H SER 36 HN SER 36 21.564 21.591 13.105 956 HA SER 36 HA SER 36 20.676 24.304 12.972 957 1HB SER 36 HB2 SER 36 21.931 23.385 14.899 958 2HB SER 36 HB1 SER 36 23.350 23.215 13.870 959 HG SER 36 HG SER 36 22.607 25.322 15.221 960 H VAL 37 HN VAL 37 23.579 22.679 11.692 961 HA VAL 37 HA VAL 37 24.417 24.931 10.167 962 HB VAL 37 HB VAL 37 25.990 23.369 9.118 963 1HG1 VAL 37 HG11 VAL 37 25.645 22.849 12.084 964 2HG1 VAL 37 HG12 VAL 37 26.438 24.261 11.388 965 3HG1 VAL 37 HG13 VAL 37 27.133 22.656 11.161 966 1HG2 VAL 37 HG21 VAL 37 25.893 20.949 9.968 967 2HG2 VAL 37 HG22 VAL 37 24.677 21.400 8.775 968 3HG2 VAL 37 HG23 VAL 37 24.246 21.302 10.483 969 H VAL 38 HN VAL 38 22.625 21.967 9.385 970 HA VAL 38 HA VAL 38 22.463 22.190 6.625 971 HB VAL 38 HB VAL 38 20.389 21.276 8.621 972 1HG1 VAL 38 HG11 VAL 38 20.308 21.187 5.597 973 2HG1 VAL 38 HG12 VAL 38 19.066 21.771 6.706 974 3HG1 VAL 38 HG13 VAL 38 19.389 20.046 6.581 975 1HG2 VAL 38 HG21 VAL 38 22.752 20.074 8.097 976 2HG2 VAL 38 HG22 VAL 38 21.838 19.425 6.749 977 3HG2 VAL 38 HG23 VAL 38 21.289 19.140 8.382 978 H SER 39 HN SER 39 20.210 23.638 9.006 979 HA SER 39 HA SER 39 18.567 24.966 7.186 980 1HB SER 39 HB2 SER 39 17.964 26.418 9.072 981 2HB SER 39 HB1 SER 39 18.061 24.736 9.587 982 HG SER 39 HG SER 39 19.781 26.890 10.105 983 H THR 40 HN THR 40 21.531 26.091 8.807 984 HA THR 40 HA THR 40 21.523 28.670 7.600 985 HB THR 40 HB THR 40 23.817 27.079 8.782 986 HG1 THR 40 HG1 THR 40 23.322 28.263 10.622 987 1HG2 THR 40 HG21 THR 40 23.505 29.995 8.020 988 2HG2 THR 40 HG22 THR 40 24.722 28.857 7.436 989 3HG2 THR 40 HG23 THR 40 24.765 29.414 9.108 990 H LEU 41 HN LEU 41 23.291 25.667 6.868 991 HA LEU 41 HA LEU 41 24.770 26.613 4.680 992 1HB LEU 41 HB2 LEU 41 23.683 23.874 5.355 993 2HB LEU 41 HB1 LEU 41 24.756 24.145 3.986 994 HG LEU 41 HG LEU 41 25.446 24.941 6.838 995 1HD1 LEU 41 HD11 LEU 41 26.870 22.909 6.869 996 2HD1 LEU 41 HD12 LEU 41 26.205 22.435 5.306 997 3HD1 LEU 41 HD13 LEU 41 25.158 22.515 6.718 998 1HD2 LEU 41 HD21 LEU 41 27.837 24.705 5.681 999 2HD2 LEU 41 HD22 LEU 41 26.909 26.178 5.499 1000 3HD2 LEU 41 HD23 LEU 41 26.924 24.990 4.204 1001 H VAL 42 HN VAL 42 21.556 25.088 4.770 1002 HA VAL 42 HA VAL 42 21.145 25.246 1.952 1003 HB VAL 42 HB VAL 42 19.212 24.887 4.260 1004 1HG1 VAL 42 HG11 VAL 42 17.893 25.786 2.467 1005 2HG1 VAL 42 HG12 VAL 42 17.673 24.040 2.379 1006 3HG1 VAL 42 HG13 VAL 42 18.767 24.851 1.255 1007 1HG2 VAL 42 HG21 VAL 42 19.241 22.543 3.534 1008 2HG2 VAL 42 HG22 VAL 42 20.891 23.079 3.849 1009 3HG2 VAL 42 HG23 VAL 42 20.314 22.947 2.190 1010 H GLN 43 HN GLN 43 20.308 27.319 4.690 1011 HA GLN 43 HA GLN 43 18.739 29.163 3.173 1012 1HB GLN 43 HB2 GLN 43 18.517 28.928 5.614 1013 2HB GLN 43 HB1 GLN 43 20.149 29.567 5.820 1014 1HG GLN 43 HG2 GLN 43 19.495 31.694 4.856 1015 2HG GLN 43 HG1 GLN 43 17.913 31.057 4.415 1016 1HE2 GLN 43 HE21 GLN 43 18.106 33.350 6.068 1017 2HE2 GLN 43 HE22 GLN 43 17.585 32.945 7.631 1018 H ASP 44 HN ASP 44 22.137 28.824 3.865 1019 HA ASP 44 HA ASP 44 22.724 31.435 2.599 1020 1HB ASP 44 HB2 ASP 44 24.518 29.584 4.184 1021 2HB ASP 44 HB1 ASP 44 24.952 31.174 3.562 1022 H GLN 45 HN GLN 45 25.442 30.533 2.024 1023 HA GLN 45 HA GLN 45 26.463 30.035 -0.028 1024 1HB GLN 45 HB2 GLN 45 26.807 28.068 1.380 1025 2HB GLN 45 HB1 GLN 45 25.277 27.389 0.827 1026 1HG GLN 45 HG2 GLN 45 26.078 27.154 -1.413 1027 2HG GLN 45 HG1 GLN 45 27.507 28.129 -1.083 1028 1HE2 GLN 45 HE21 GLN 45 29.269 26.736 -1.143 1029 2HE2 GLN 45 HE22 GLN 45 29.326 25.216 -0.388 1030 H LEU 46 HN LEU 46 26.056 30.208 -2.210 1031 HA LEU 46 HA LEU 46 23.736 28.904 -3.362 1032 1HB LEU 46 HB2 LEU 46 23.482 31.585 -2.405 1033 2HB LEU 46 HB1 LEU 46 23.607 31.759 -4.143 1034 HG LEU 46 HG LEU 46 21.654 29.876 -2.775 1035 1HD1 LEU 46 HD11 LEU 46 19.953 31.575 -3.320 1036 2HD1 LEU 46 HD12 LEU 46 21.206 32.632 -3.968 1037 3HD1 LEU 46 HD13 LEU 46 21.178 32.250 -2.247 1038 1HD2 LEU 46 HD21 LEU 46 22.271 29.286 -5.125 1039 2HD2 LEU 46 HD22 LEU 46 21.849 30.917 -5.627 1040 3HD2 LEU 46 HD23 LEU 46 20.602 29.836 -5.014 1041 H THR 47 HN THR 47 25.263 27.822 -4.542 1042 HA THR 47 HA THR 47 26.311 29.319 -6.839 1043 HB THR 47 HB THR 47 28.219 29.210 -5.392 1044 HG1 THR 47 HG1 THR 47 29.416 28.424 -6.912 1045 1HG2 THR 47 HG21 THR 47 28.981 27.039 -4.453 1046 2HG2 THR 47 HG22 THR 47 27.499 26.287 -5.046 1047 3HG2 THR 47 HG23 THR 47 27.419 27.543 -3.808 1048 H LYS 48 HN LYS 48 25.197 26.366 -5.366 1049 HA LYS 48 HA LYS 48 24.128 25.335 -7.739 1050 1HB LYS 48 HB2 LYS 48 26.332 24.915 -8.539 1051 2HB LYS 48 HB1 LYS 48 26.861 24.316 -6.985 1052 1HG LYS 48 HG2 LYS 48 25.800 22.256 -7.249 1053 2HG LYS 48 HG1 LYS 48 24.592 22.875 -8.359 1054 1HD LYS 48 HD2 LYS 48 27.500 22.837 -9.211 1055 2HD LYS 48 HD1 LYS 48 26.562 21.346 -9.271 1056 1HE LYS 48 HE2 LYS 48 24.894 22.396 -10.699 1057 2HE LYS 48 HE1 LYS 48 25.720 23.945 -10.588 1058 1HZ LYS 48 HZ1 LYS 48 27.190 21.580 -11.523 1059 2HZ LYS 48 HZ2 LYS 48 27.465 23.222 -11.864 1060 3HZ LYS 48 HZ3 LYS 48 26.167 22.405 -12.595 1061 H ASN 49 HN ASN 49 22.787 23.622 -7.332 1062 HA ASN 49 HA ASN 49 22.042 23.041 -4.696 1063 1HB ASN 49 HB2 ASN 49 20.744 21.142 -5.724 1064 2HB ASN 49 HB1 ASN 49 20.439 22.726 -6.442 1065 1HD2 ASN 49 HD21 ASN 49 20.449 22.679 -8.679 1066 2HD2 ASN 49 HD22 ASN 49 21.361 21.610 -9.631 1067 H ALA 50 HN ALA 50 24.164 21.342 -6.949 1068 HA ALA 50 HA ALA 50 24.515 18.990 -5.409 1069 1HB ALA 50 HB1 ALA 50 26.214 18.412 -6.939 1070 2HB ALA 50 HB2 ALA 50 26.689 20.087 -7.208 1071 3HB ALA 50 HB3 ALA 50 25.185 19.478 -7.892 1072 H VAL 51 HN VAL 51 26.237 22.084 -5.479 1073 HA VAL 51 HA VAL 51 28.375 21.344 -3.790 1074 HB VAL 51 HB VAL 51 27.020 23.994 -4.349 1075 1HG1 VAL 51 HG11 VAL 51 29.138 24.994 -3.268 1076 2HG1 VAL 51 HG12 VAL 51 29.370 23.415 -2.523 1077 3HG1 VAL 51 HG13 VAL 51 27.920 24.351 -2.175 1078 1HG2 VAL 51 HG21 VAL 51 29.823 23.081 -5.075 1079 2HG2 VAL 51 HG22 VAL 51 28.909 24.431 -5.748 1080 3HG2 VAL 51 HG23 VAL 51 28.430 22.773 -6.115 1081 H VAL 52 HN VAL 52 25.483 23.270 -2.875 1082 HA VAL 52 HA VAL 52 25.849 23.234 -0.136 1083 HB VAL 52 HB VAL 52 23.343 23.474 0.018 1084 1HG1 VAL 52 HG11 VAL 52 23.268 25.545 -1.387 1085 2HG1 VAL 52 HG12 VAL 52 24.787 25.056 -2.139 1086 3HG1 VAL 52 HG13 VAL 52 24.736 25.435 -0.420 1087 1HG2 VAL 52 HG21 VAL 52 23.575 22.999 -2.961 1088 2HG2 VAL 52 HG22 VAL 52 22.121 23.554 -2.151 1089 3HG2 VAL 52 HG23 VAL 52 22.756 21.945 -1.821 1090 H LEU 53 HN LEU 53 24.617 20.709 -2.229 1091 HA LEU 53 HA LEU 53 23.592 19.044 -0.171 1092 1HB LEU 53 HB2 LEU 53 22.926 18.826 -2.556 1093 2HB LEU 53 HB1 LEU 53 24.547 18.260 -2.929 1094 HG LEU 53 HG LEU 53 24.230 16.343 -1.372 1095 1HD1 LEU 53 HD11 LEU 53 21.665 15.958 -0.804 1096 2HD1 LEU 53 HD12 LEU 53 21.586 17.713 -0.897 1097 3HD1 LEU 53 HD13 LEU 53 22.671 16.934 0.254 1098 1HD2 LEU 53 HD21 LEU 53 23.757 16.031 -3.731 1099 2HD2 LEU 53 HD22 LEU 53 22.129 16.680 -3.531 1100 3HD2 LEU 53 HD23 LEU 53 22.566 15.139 -2.785 1101 H LYS 54 HN LYS 54 26.684 19.212 -1.868 1102 HA LYS 54 HA LYS 54 27.887 16.902 -0.898 1103 1HB LYS 54 HB2 LYS 54 29.813 17.732 -1.882 1104 2HB LYS 54 HB1 LYS 54 28.711 18.949 -2.522 1105 1HG LYS 54 HG2 LYS 54 29.252 20.359 -0.499 1106 2HG LYS 54 HG1 LYS 54 30.474 19.194 -0.063 1107 1HD LYS 54 HD2 LYS 54 31.608 19.585 -2.192 1108 2HD LYS 54 HD1 LYS 54 30.371 20.771 -2.625 1109 1HE LYS 54 HE2 LYS 54 30.940 22.109 -0.647 1110 2HE LYS 54 HE1 LYS 54 32.165 20.927 -0.189 1111 1HZ LYS 54 HZ1 LYS 54 32.559 21.656 -2.860 1112 2HZ LYS 54 HZ2 LYS 54 33.586 21.911 -1.530 1113 3HZ LYS 54 HZ3 LYS 54 32.417 23.074 -1.941 1114 H ARG 55 HN ARG 55 27.492 20.049 0.623 1115 HA ARG 55 HA ARG 55 29.195 19.607 2.827 1116 1HB ARG 55 HB2 ARG 55 26.850 21.475 2.431 1117 2HB ARG 55 HB1 ARG 55 27.859 21.482 3.876 1118 1HG ARG 55 HG2 ARG 55 29.868 21.843 2.387 1119 2HG ARG 55 HG1 ARG 55 28.756 22.025 1.036 1120 1HD ARG 55 HD2 ARG 55 27.645 23.888 2.203 1121 2HD ARG 55 HD1 ARG 55 28.787 23.721 3.531 1122 HE ARG 55 HE ARG 55 29.294 24.987 0.985 1123 1HH1 ARG 55 HH21 ARG 55 30.659 23.248 3.648 1124 2HH1 ARG 55 HH22 ARG 55 32.251 23.895 3.433 1125 1HH2 ARG 55 HH11 ARG 55 31.380 25.839 0.698 1126 2HH2 ARG 55 HH12 ARG 55 32.659 25.362 1.763 1127 H ILE 56 HN ILE 56 25.911 18.719 2.138 1128 HA ILE 56 HA ILE 56 25.219 18.048 4.834 1129 HB ILE 56 HB ILE 56 23.917 17.047 2.290 1130 1HG1 ILE 56 HG12 ILE 56 24.066 19.428 2.097 1131 2HG1 ILE 56 HG11 ILE 56 22.424 19.061 2.557 1132 1HG2 ILE 56 HG21 ILE 56 22.872 17.561 5.083 1133 2HG2 ILE 56 HG22 ILE 56 23.170 15.979 4.363 1134 3HG2 ILE 56 HG23 ILE 56 21.909 17.023 3.707 1135 1HD1 ILE 56 HD11 ILE 56 22.969 20.858 3.965 1136 2HD1 ILE 56 HD12 ILE 56 24.626 20.312 4.188 1137 3HD1 ILE 56 HD13 ILE 56 23.312 19.477 4.992 1138 H GLN 57 HN GLN 57 26.191 16.198 1.959 1139 HA GLN 57 HA GLN 57 26.068 13.651 3.166 1140 1HB GLN 57 HB2 GLN 57 27.751 14.625 0.840 1141 2HB GLN 57 HB1 GLN 57 27.481 12.934 1.268 1142 1HG GLN 57 HG2 GLN 57 25.048 13.249 0.971 1143 2HG GLN 57 HG1 GLN 57 25.329 14.933 0.517 1144 1HE2 GLN 57 HE21 GLN 57 24.393 12.337 -1.022 1145 2HE2 GLN 57 HE22 GLN 57 25.326 12.400 -2.438 1146 H HIS 58 HN HIS 58 28.393 16.221 3.289 1147 HA HIS 58 HA HIS 58 30.675 14.696 4.022 1148 1HB HIS 58 HB2 HIS 58 29.900 17.580 4.546 1149 2HB HIS 58 HB1 HIS 58 31.463 16.909 5.015 1150 HD1 HIS 58 HD1 HIS 58 30.394 15.285 1.990 1151 HD2 HIS 58 HD2 HIS 58 32.255 18.913 2.861 1152 HE1 HIS 58 HE1 HIS 58 31.459 16.079 -0.166 1153 HE2 HIS 58 HE2 HIS 58 32.599 18.290 0.349 1154 H LEU 59 HN LEU 59 28.284 16.462 5.992 1155 HA LEU 59 HA LEU 59 29.261 15.970 8.523 1156 1HB LEU 59 HB2 LEU 59 26.408 15.944 7.553 1157 2HB LEU 59 HB1 LEU 59 26.833 15.961 9.259 1158 HG LEU 59 HG LEU 59 27.779 18.057 7.283 1159 1HD1 LEU 59 HD11 LEU 59 25.286 18.023 7.525 1160 2HD1 LEU 59 HD12 LEU 59 26.028 19.500 8.120 1161 3HD1 LEU 59 HD13 LEU 59 25.496 18.259 9.262 1162 1HD2 LEU 59 HD21 LEU 59 27.995 19.345 9.547 1163 2HD2 LEU 59 HD22 LEU 59 29.221 18.167 9.130 1164 3HD2 LEU 59 HD23 LEU 59 27.961 17.747 10.286 1165 H ASP 60 HN ASP 60 28.033 13.680 6.270 1166 HA ASP 60 HA ASP 60 27.097 11.638 7.896 1167 1HB ASP 60 HB2 ASP 60 28.796 11.399 5.413 1168 2HB ASP 60 HB1 ASP 60 27.874 10.092 6.129 1169 H GLU 61 HN GLU 61 30.462 12.367 6.988 1170 HA GLU 61 HA GLU 61 31.660 10.199 8.347 1171 1HB GLU 61 HB2 GLU 61 33.736 11.290 7.952 1172 2HB GLU 61 HB1 GLU 61 32.712 11.764 6.597 1173 1HG GLU 61 HG2 GLU 61 32.137 13.864 8.013 1174 2HG GLU 61 HG1 GLU 61 33.496 13.412 9.028 1175 H ALA 62 HN ALA 62 30.874 13.501 9.357 1176 HA ALA 62 HA ALA 62 32.090 13.273 11.928 1177 1HB ALA 62 HB1 ALA 62 30.052 15.208 10.817 1178 2HB ALA 62 HB2 ALA 62 31.790 15.465 10.974 1179 3HB ALA 62 HB3 ALA 62 30.781 15.358 12.413 1180 H TYR 63 HN TYR 63 28.739 13.084 10.775 1181 HA TYR 63 HA TYR 63 27.428 12.753 13.164 1182 1HB TYR 63 HB2 TYR 63 25.777 12.692 11.578 1183 2HB TYR 63 HB1 TYR 63 26.901 12.143 10.350 1184 HD1 TYR 63 HD2 TYR 63 25.166 10.859 13.422 1185 HD2 TYR 63 HD1 TYR 63 26.601 9.959 9.485 1186 HE1 TYR 63 HE2 TYR 63 24.187 8.588 13.589 1187 HE2 TYR 63 HE1 TYR 63 25.644 7.689 9.649 1188 HH TYR 63 HH TYR 63 24.185 6.537 12.665 1189 H ASN 64 HN ASN 64 29.127 10.327 11.203 1190 HA ASN 64 HA ASN 64 28.441 8.074 12.793 1191 1HB ASN 64 HB2 ASN 64 29.191 7.860 10.458 1192 2HB ASN 64 HB1 ASN 64 30.782 8.465 10.914 1193 1HD2 ASN 64 HD21 ASN 64 28.508 5.759 11.528 1194 2HD2 ASN 64 HD22 ASN 64 29.711 4.649 11.976 1195 H LYS 65 HN LYS 65 31.089 10.378 12.833 1196 HA LYS 65 HA LYS 65 32.755 9.002 14.639 1197 1HB LYS 65 HB2 LYS 65 32.444 11.942 14.014 1198 2HB LYS 65 HB1 LYS 65 33.663 11.348 15.122 1199 1HG LYS 65 HG2 LYS 65 33.481 10.057 12.395 1200 2HG LYS 65 HG1 LYS 65 34.202 11.655 12.504 1201 1HD LYS 65 HD2 LYS 65 35.832 10.859 14.130 1202 2HD LYS 65 HD1 LYS 65 35.072 9.271 14.167 1203 1HE LYS 65 HE2 LYS 65 37.016 9.191 12.702 1204 2HE LYS 65 HE1 LYS 65 35.552 9.028 11.731 1205 1HZ LYS 65 HZ1 LYS 65 35.675 11.294 11.098 1206 2HZ LYS 65 HZ2 LYS 65 37.219 10.632 10.848 1207 3HZ LYS 65 HZ3 LYS 65 36.922 11.614 12.202 1208 H VAL 66 HN VAL 66 30.097 11.293 15.141 1209 HA VAL 66 HA VAL 66 30.426 11.625 17.910 1210 HB VAL 66 HB VAL 66 27.874 11.693 16.246 1211 1HG1 VAL 66 HG11 VAL 66 27.225 11.425 18.540 1212 2HG1 VAL 66 HG12 VAL 66 27.060 13.135 18.157 1213 3HG1 VAL 66 HG13 VAL 66 28.450 12.569 19.084 1214 1HG2 VAL 66 HG21 VAL 66 29.501 13.314 15.486 1215 2HG2 VAL 66 HG22 VAL 66 29.843 13.812 17.142 1216 3HG2 VAL 66 HG23 VAL 66 28.269 14.158 16.424 1217 H LYS 67 HN LYS 67 28.390 9.324 16.110 1218 HA LYS 67 HA LYS 67 27.525 7.950 18.470 1219 1HB LYS 67 HB2 LYS 67 27.490 7.013 15.605 1220 2HB LYS 67 HB1 LYS 67 26.520 6.401 16.936 1221 1HG LYS 67 HG2 LYS 67 26.113 9.258 16.904 1222 2HG LYS 67 HG1 LYS 67 26.006 8.720 15.243 1223 1HD LYS 67 HD2 LYS 67 24.486 7.549 17.592 1224 2HD LYS 67 HD1 LYS 67 23.816 8.696 16.428 1225 1HE LYS 67 HE2 LYS 67 23.195 6.886 15.144 1226 2HE LYS 67 HE1 LYS 67 24.899 6.558 14.854 1227 1HZ LYS 67 HZ1 LYS 67 24.333 4.631 15.846 1228 2HZ LYS 67 HZ2 LYS 67 23.057 5.312 16.736 1229 3HZ LYS 67 HZ3 LYS 67 24.660 5.510 17.259 1230 H ARG 68 HN ARG 68 29.743 7.117 15.832 1231 HA ARG 68 HA ARG 68 30.589 4.635 16.752 1232 1HB ARG 68 HB2 ARG 68 31.067 5.566 14.486 1233 2HB ARG 68 HB1 ARG 68 32.238 6.664 15.221 1234 1HG ARG 68 HG2 ARG 68 33.558 4.794 16.031 1235 2HG ARG 68 HG1 ARG 68 32.353 3.651 15.442 1236 1HD ARG 68 HD2 ARG 68 32.754 4.516 13.125 1237 2HD ARG 68 HD1 ARG 68 34.055 5.517 13.767 1238 HE ARG 68 HE ARG 68 34.379 2.749 14.473 1239 1HH1 ARG 68 HH21 ARG 68 34.753 5.093 11.955 1240 2HH1 ARG 68 HH22 ARG 68 36.036 4.240 11.162 1241 1HH2 ARG 68 HH11 ARG 68 36.059 1.624 13.440 1242 2HH2 ARG 68 HH12 ARG 68 36.775 2.276 12.003 1243 H GLY 69 HN GLY 69 31.659 7.887 17.566 1244 1HA GLY 69 HA2 GLY 69 33.949 7.100 19.063 1245 2HA GLY 69 HA1 GLY 69 33.156 8.670 19.105 1246 H GLU 70 HN GLU 70 30.648 6.792 19.642 1247 HA GLU 70 HA GLU 70 30.982 6.820 22.594 1248 1HB GLU 70 HB2 GLU 70 28.518 6.988 20.851 1249 2HB GLU 70 HB1 GLU 70 28.485 6.872 22.607 1250 1HG GLU 70 HG2 GLU 70 30.056 9.026 21.168 1251 2HG GLU 70 HG1 GLU 70 28.377 9.248 21.609 1252 H SER 71 HN SER 71 29.097 5.210 23.462 1253 HA SER 71 HA SER 71 28.902 2.709 22.080 1254 1HB SER 71 HB2 SER 71 31.223 2.461 22.716 1255 2HB SER 71 HB1 SER 71 30.871 2.950 24.371 1256 HG SER 71 HG SER 71 30.462 0.539 23.081 1257 H LYS 72 HN LYS 72 27.139 4.571 23.386 1258 HA LYS 72 HA LYS 72 25.439 4.674 24.939 1259 1HB LYS 72 HB2 LYS 72 25.637 1.692 24.453 1260 2HB LYS 72 HB1 LYS 72 24.291 2.472 25.286 1261 1HG LYS 72 HG2 LYS 72 23.849 3.851 23.289 1262 2HG LYS 72 HG1 LYS 72 25.191 3.067 22.453 1263 1HD LYS 72 HD2 LYS 72 24.072 0.892 22.650 1264 2HD LYS 72 HD1 LYS 72 22.742 1.643 23.534 1265 1HE LYS 72 HE2 LYS 72 22.100 1.391 21.195 1266 2HE LYS 72 HE1 LYS 72 22.307 3.105 21.556 1267 1HZ LYS 72 HZ1 LYS 72 23.899 3.242 20.043 1268 2HZ LYS 72 HZ2 LYS 72 23.582 1.637 19.588 1269 3HZ LYS 72 HZ3 LYS 72 24.769 1.972 20.756 1270 H LEU 73 HN LEU 73 28.210 4.435 25.975 1271 HA LEU 73 HA LEU 73 28.386 2.712 28.154 1272 1HB LEU 73 HB2 LEU 73 30.277 4.067 27.233 1273 2HB LEU 73 HB1 LEU 73 29.550 5.494 27.961 1274 HG LEU 73 HG LEU 73 29.718 4.403 30.202 1275 1HD1 LEU 73 HD11 LEU 73 31.502 2.418 30.161 1276 2HD1 LEU 73 HD12 LEU 73 30.860 2.160 28.547 1277 3HD1 LEU 73 HD13 LEU 73 29.788 2.094 29.944 1278 1HD2 LEU 73 HD21 LEU 73 32.354 4.573 28.714 1279 2HD2 LEU 73 HD22 LEU 73 32.119 4.744 30.452 1280 3HD2 LEU 73 HD23 LEU 73 31.460 5.955 29.353 1281 H GLU 74 HN GLU 74 27.378 6.117 28.117 1282 HA GLU 74 HA GLU 74 26.117 7.355 29.577 1283 1HB GLU 74 HB2 GLU 74 24.851 4.656 30.111 1284 2HB GLU 74 HB1 GLU 74 24.162 6.218 30.543 1285 1HG GLU 74 HG2 GLU 74 24.145 6.870 28.162 1286 2HG GLU 74 HG1 GLU 74 24.827 5.303 27.734 1287 H HIS 75 HN HIS 75 28.117 7.633 30.842 1288 HA HIS 75 HA HIS 75 27.803 6.534 33.577 1289 1HB HIS 75 HB2 HIS 75 30.105 6.191 31.750 1290 2HB HIS 75 HB1 HIS 75 30.578 6.872 33.298 1291 HD1 HIS 75 HD1 HIS 75 28.662 5.423 35.183 1292 HD2 HIS 75 HD2 HIS 75 30.736 3.494 32.131 1293 HE1 HIS 75 HE1 HIS 75 28.773 2.975 35.826 1294 HE2 HIS 75 HE2 HIS 75 30.023 1.783 33.964 1295 H HIS 76 HN HIS 76 28.207 9.204 31.537 1296 HA HIS 76 HA HIS 76 28.285 11.454 31.998 1297 1HB HIS 76 HB2 HIS 76 28.241 10.852 34.968 1298 2HB HIS 76 HB1 HIS 76 27.572 12.235 34.115 1299 HD1 HIS 76 HD1 HIS 76 26.617 9.005 35.473 1300 HD2 HIS 76 HD2 HIS 76 25.299 11.415 32.337 1301 HE1 HIS 76 HE1 HIS 76 24.294 8.191 34.871 1302 HE2 HIS 76 HE2 HIS 76 23.477 9.652 32.962 1303 H HIS 77 HN HIS 77 30.138 9.725 34.523 1304 HA HIS 77 HA HIS 77 32.276 10.008 35.304 1305 1HB HIS 77 HB2 HIS 77 32.649 10.685 32.370 1306 2HB HIS 77 HB1 HIS 77 33.995 10.544 33.497 1307 HD1 HIS 77 HD1 HIS 77 33.530 8.118 35.066 1308 HD2 HIS 77 HD2 HIS 77 32.413 8.277 31.053 1309 HE1 HIS 77 HE1 HIS 77 33.375 5.719 34.271 1310 HE2 HIS 77 HE2 HIS 77 32.697 5.800 31.826 1311 H HIS 78 HN HIS 78 31.810 11.707 36.718 1312 HA HIS 78 HA HIS 78 33.008 14.281 35.952 1313 1HB HIS 78 HB2 HIS 78 30.217 13.979 37.100 1314 2HB HIS 78 HB1 HIS 78 31.095 15.504 36.977 1315 HD1 HIS 78 HD1 HIS 78 29.038 13.150 35.015 1316 HD2 HIS 78 HD2 HIS 78 31.664 16.287 34.207 1317 HE1 HIS 78 HE1 HIS 78 28.653 13.801 32.599 1318 HE2 HIS 78 HE2 HIS 78 30.246 15.713 32.090 1319 H HIS 79 HN HIS 79 33.855 15.431 37.657 1320 HA HIS 79 HA HIS 79 34.947 15.652 39.669 1321 1HB HIS 79 HB2 HIS 79 32.384 14.378 40.662 1322 2HB HIS 79 HB1 HIS 79 33.568 15.205 41.674 1323 HD1 HIS 79 HD1 HIS 79 34.128 17.783 40.694 1324 HD2 HIS 79 HD2 HIS 79 30.421 16.102 39.789 1325 HE1 HIS 79 HE1 HIS 79 32.610 19.703 40.043 1326 HE2 HIS 79 HE2 HIS 79 30.346 18.695 39.488 1327 H HIS 80 HN HIS 80 35.568 14.352 41.758 1328 HA HIS 80 HA HIS 80 37.055 12.112 40.961 1329 1HB HIS 80 HB2 HIS 80 37.429 11.747 43.378 1330 2HB HIS 80 HB1 HIS 80 37.637 13.441 42.931 1331 HD1 HIS 80 HD1 HIS 80 35.742 15.109 43.641 1332 HD2 HIS 80 HD2 HIS 80 35.229 11.231 45.082 1333 HE1 HIS 80 HE1 HIS 80 33.953 15.240 45.429 1334 HE2 HIS 80 HE2 HIS 80 33.628 12.883 46.317 Start of MODEL 12 1 1H MET 1 HT1 MET 1 3.308 -2.190 -3.219 2 2H MET 1 HT2 MET 1 3.718 -1.418 -4.676 3 3H MET 1 HT3 MET 1 3.144 -0.509 -3.360 4 HA MET 1 HA MET 1 5.310 -1.870 -2.366 5 1HB MET 1 HB2 MET 1 5.833 -2.309 -4.816 6 2HB MET 1 HB1 MET 1 6.016 -0.568 -5.018 7 1HG MET 1 HG2 MET 1 8.219 -1.435 -4.621 8 2HG MET 1 HG1 MET 1 7.727 -0.654 -3.119 9 1HE MET 1 HE1 MET 1 9.058 -1.909 -1.253 10 2HE MET 1 HE2 MET 1 9.965 -2.148 -2.743 11 3HE MET 1 HE3 MET 1 9.729 -3.499 -1.639 12 H SER 2 HN SER 2 5.025 1.043 -4.425 13 HA SER 2 HA SER 2 4.724 2.831 -2.203 14 1HB SER 2 HB2 SER 2 6.915 3.964 -2.440 15 2HB SER 2 HB1 SER 2 7.088 2.303 -1.878 16 HG SER 2 HG SER 2 7.492 1.726 -4.077 17 H GLU 3 HN GLU 3 3.011 3.564 -3.515 18 HA GLU 3 HA GLU 3 3.840 5.279 -5.802 19 1HB GLU 3 HB2 GLU 3 1.389 3.506 -5.610 20 2HB GLU 3 HB1 GLU 3 1.681 4.683 -6.890 21 1HG GLU 3 HG2 GLU 3 3.563 2.397 -6.240 22 2HG GLU 3 HG1 GLU 3 2.336 2.328 -7.502 23 H LEU 4 HN LEU 4 3.875 6.589 -3.643 24 HA LEU 4 HA LEU 4 1.272 7.626 -2.856 25 1HB LEU 4 HB2 LEU 4 3.997 8.714 -2.140 26 2HB LEU 4 HB1 LEU 4 2.489 8.882 -1.260 27 HG LEU 4 HG LEU 4 3.681 7.208 -0.056 28 1HD1 LEU 4 HD11 LEU 4 2.019 5.486 -1.908 29 2HD1 LEU 4 HD12 LEU 4 1.279 6.582 -0.756 30 3HD1 LEU 4 HD13 LEU 4 2.305 5.272 -0.189 31 1HD2 LEU 4 HD21 LEU 4 5.200 6.780 -2.314 32 2HD2 LEU 4 HD22 LEU 4 4.237 5.308 -2.275 33 3HD2 LEU 4 HD23 LEU 4 5.215 5.755 -0.888 34 H PHE 5 HN PHE 5 0.780 8.236 -5.116 35 HA PHE 5 HA PHE 5 2.149 10.311 -6.444 36 1HB PHE 5 HB2 PHE 5 0.489 8.808 -7.513 37 2HB PHE 5 HB1 PHE 5 -0.790 9.601 -6.594 38 HD1 PHE 5 HD2 PHE 5 1.819 10.095 -9.189 39 HD2 PHE 5 HD1 PHE 5 -1.597 11.793 -7.213 40 HE1 PHE 5 HE2 PHE 5 1.722 11.889 -10.898 41 HE2 PHE 5 HE1 PHE 5 -1.694 13.587 -8.922 42 HZ PHE 5 HZ PHE 5 -0.034 13.635 -10.765 43 H SER 6 HN SER 6 -0.458 10.288 -4.067 44 HA SER 6 HA SER 6 -0.797 13.175 -4.178 45 1HB SER 6 HB2 SER 6 -2.727 12.789 -2.959 46 2HB SER 6 HB1 SER 6 -2.489 11.145 -3.524 47 HG SER 6 HG SER 6 -1.637 10.591 -1.589 48 H VAL 7 HN VAL 7 0.300 14.601 -3.021 49 HA VAL 7 HA VAL 7 2.422 13.830 -1.291 50 HB VAL 7 HB VAL 7 1.238 16.617 -1.266 51 1HG1 VAL 7 HG11 VAL 7 4.088 15.626 -1.311 52 2HG1 VAL 7 HG12 VAL 7 3.194 16.072 0.144 53 3HG1 VAL 7 HG13 VAL 7 3.535 17.283 -1.089 54 1HG2 VAL 7 HG21 VAL 7 2.780 15.330 -3.535 55 2HG2 VAL 7 HG22 VAL 7 2.611 17.074 -3.335 56 3HG2 VAL 7 HG23 VAL 7 1.186 16.079 -3.617 57 HA PRO 8 HA PRO 8 -0.826 15.489 2.058 58 1HB PRO 8 HB2 PRO 8 -3.152 14.005 0.829 59 2HB PRO 8 HB1 PRO 8 -3.156 15.527 1.749 60 1HG PRO 8 HG2 PRO 8 -3.425 15.585 -0.877 61 2HG PRO 8 HG1 PRO 8 -2.365 16.766 -0.078 62 1HD PRO 8 HD2 PRO 8 -1.612 14.275 -1.568 63 2HD PRO 8 HD1 PRO 8 -0.841 15.861 -1.616 64 H TYR 9 HN TYR 9 -0.533 12.434 0.427 65 HA TYR 9 HA TYR 9 -1.428 10.725 2.501 66 1HB TYR 9 HB2 TYR 9 -1.182 9.928 0.210 67 2HB TYR 9 HB1 TYR 9 0.553 10.236 0.262 68 HD1 TYR 9 HD2 TYR 9 -2.137 8.402 2.120 69 HD2 TYR 9 HD1 TYR 9 1.990 8.467 0.947 70 HE1 TYR 9 HE2 TYR 9 -1.810 6.159 3.126 71 HE2 TYR 9 HE1 TYR 9 2.320 6.231 1.932 72 HH TYR 9 HH TYR 9 0.098 4.820 4.053 73 H PHE 10 HN PHE 10 1.774 12.007 1.667 74 HA PHE 10 HA PHE 10 3.206 10.601 3.667 75 1HB PHE 10 HB2 PHE 10 3.771 12.604 1.638 76 2HB PHE 10 HB1 PHE 10 4.550 13.102 3.134 77 HD1 PHE 10 HD2 PHE 10 3.904 9.804 1.433 78 HD2 PHE 10 HD1 PHE 10 6.816 12.428 3.192 79 HE1 PHE 10 HE2 PHE 10 5.671 8.110 1.036 80 HE2 PHE 10 HE1 PHE 10 8.578 10.736 2.791 81 HZ PHE 10 HZ PHE 10 8.011 8.577 1.719 82 H ILE 11 HN ILE 11 1.726 13.815 3.635 83 HA ILE 11 HA ILE 11 2.596 14.568 6.221 84 HB ILE 11 HB ILE 11 0.276 15.506 4.521 85 1HG1 ILE 11 HG12 ILE 11 2.778 17.100 5.078 86 2HG1 ILE 11 HG11 ILE 11 2.893 15.805 3.904 87 1HG2 ILE 11 HG21 ILE 11 1.392 16.557 7.148 88 2HG2 ILE 11 HG22 ILE 11 -0.272 16.117 6.781 89 3HG2 ILE 11 HG23 ILE 11 0.429 17.560 6.064 90 1HD1 ILE 11 HD11 ILE 11 1.465 16.855 2.415 91 2HD1 ILE 11 HD12 ILE 11 2.268 18.244 3.148 92 3HD1 ILE 11 HD13 ILE 11 0.644 17.784 3.665 93 H GLU 12 HN GLU 12 -0.341 13.030 5.004 94 HA GLU 12 HA GLU 12 -1.944 13.061 7.251 95 1HB GLU 12 HB2 GLU 12 -1.613 11.200 4.922 96 2HB GLU 12 HB1 GLU 12 -2.597 10.616 6.259 97 1HG GLU 12 HG2 GLU 12 -3.046 13.301 4.910 98 2HG GLU 12 HG1 GLU 12 -3.884 11.824 4.438 99 H ASN 13 HN ASN 13 0.970 11.241 6.700 100 HA ASN 13 HA ASN 13 0.600 9.324 8.786 101 1HB ASN 13 HB2 ASN 13 3.154 10.325 7.511 102 2HB ASN 13 HB1 ASN 13 2.976 8.860 8.474 103 1HD2 ASN 13 HD21 ASN 13 3.405 9.614 5.374 104 2HD2 ASN 13 HD22 ASN 13 2.396 8.482 4.613 105 H LEU 14 HN LEU 14 1.904 12.577 8.598 106 HA LEU 14 HA LEU 14 3.145 12.602 11.176 107 1HB LEU 14 HB2 LEU 14 2.193 14.979 9.556 108 2HB LEU 14 HB1 LEU 14 3.456 14.952 10.787 109 HG LEU 14 HG LEU 14 3.567 13.422 8.169 110 1HD1 LEU 14 HD11 LEU 14 5.222 15.070 7.492 111 2HD1 LEU 14 HD12 LEU 14 5.000 15.947 8.997 112 3HD1 LEU 14 HD13 LEU 14 3.682 15.859 7.834 113 1HD2 LEU 14 HD21 LEU 14 5.506 13.760 10.477 114 2HD2 LEU 14 HD22 LEU 14 6.046 13.313 8.864 115 3HD2 LEU 14 HD23 LEU 14 4.939 12.265 9.730 116 H LYS 15 HN LYS 15 -0.015 13.508 9.910 117 HA LYS 15 HA LYS 15 -1.026 14.917 12.075 118 1HB LYS 15 HB2 LYS 15 -2.429 13.045 10.160 119 2HB LYS 15 HB1 LYS 15 -3.274 14.086 11.306 120 1HG LYS 15 HG2 LYS 15 -2.137 16.064 10.293 121 2HG LYS 15 HG1 LYS 15 -1.406 14.994 9.095 122 1HD LYS 15 HD2 LYS 15 -3.651 14.312 8.331 123 2HD LYS 15 HD1 LYS 15 -4.382 15.374 9.532 124 1HE LYS 15 HE2 LYS 15 -3.276 17.320 8.482 125 2HE LYS 15 HE1 LYS 15 -2.573 16.254 7.270 126 1HZ LYS 15 HZ1 LYS 15 -4.691 17.432 6.640 127 2HZ LYS 15 HZ2 LYS 15 -5.486 16.399 7.730 128 3HZ LYS 15 HZ3 LYS 15 -4.661 15.754 6.392 129 H GLN 16 HN GLN 16 -0.792 11.426 11.550 130 HA GLN 16 HA GLN 16 -2.276 10.633 13.836 131 1HB GLN 16 HB2 GLN 16 -1.766 9.114 11.953 132 2HB GLN 16 HB1 GLN 16 -0.061 9.150 12.403 133 1HG GLN 16 HG2 GLN 16 -0.535 8.128 14.548 134 2HG GLN 16 HG1 GLN 16 -2.271 8.265 14.284 135 1HE2 GLN 16 HE21 GLN 16 -3.194 6.333 13.610 136 2HE2 GLN 16 HE22 GLN 16 -2.401 5.138 12.702 137 H HIS 17 HN HIS 17 1.113 11.454 13.326 138 HA HIS 17 HA HIS 17 2.111 10.486 15.782 139 1HB HIS 17 HB2 HIS 17 3.089 12.869 14.192 140 2HB HIS 17 HB1 HIS 17 4.004 11.976 15.401 141 HD1 HIS 17 HD1 HIS 17 2.282 9.352 13.963 142 HD2 HIS 17 HD2 HIS 17 5.343 11.772 12.498 143 HE1 HIS 17 HE1 HIS 17 3.386 8.054 12.090 144 HE2 HIS 17 HE2 HIS 17 5.255 9.516 11.185 145 H ILE 18 HN ILE 18 1.026 13.759 14.873 146 HA ILE 18 HA ILE 18 1.245 14.769 17.561 147 HB ILE 18 HB ILE 18 0.172 16.787 16.644 148 1HG1 ILE 18 HG12 ILE 18 -0.174 15.046 14.193 149 2HG1 ILE 18 HG11 ILE 18 -1.457 15.786 15.137 150 1HG2 ILE 18 HG21 ILE 18 2.636 16.214 16.257 151 2HG2 ILE 18 HG22 ILE 18 1.953 17.389 15.150 152 3HG2 ILE 18 HG23 ILE 18 2.182 15.717 14.631 153 1HD1 ILE 18 HD11 ILE 18 -1.233 17.197 13.256 154 2HD1 ILE 18 HD12 ILE 18 0.529 17.149 13.329 155 3HD1 ILE 18 HD13 ILE 18 -0.380 18.042 14.551 156 H GLU 19 HN GLU 19 -1.434 13.731 15.485 157 HA GLU 19 HA GLU 19 -3.513 14.367 17.299 158 1HB GLU 19 HB2 GLU 19 -3.848 13.909 14.873 159 2HB GLU 19 HB1 GLU 19 -3.482 12.211 15.174 160 1HG GLU 19 HG2 GLU 19 -5.396 12.019 16.673 161 2HG GLU 19 HG1 GLU 19 -5.728 13.742 16.511 162 H MET 20 HN MET 20 -1.918 11.257 16.585 163 HA MET 20 HA MET 20 -3.002 10.150 19.120 164 1HB MET 20 HB2 MET 20 -1.745 8.698 16.774 165 2HB MET 20 HB1 MET 20 -2.515 7.968 18.178 166 1HG MET 20 HG2 MET 20 -4.641 9.109 17.576 167 2HG MET 20 HG1 MET 20 -3.861 9.734 16.122 168 1HE MET 20 HE1 MET 20 -4.782 8.645 14.021 169 2HE MET 20 HE2 MET 20 -6.099 8.663 15.193 170 3HE MET 20 HE3 MET 20 -5.838 7.235 14.194 171 H ASN 21 HN ASN 21 -1.149 8.094 19.396 172 HA ASN 21 HA ASN 21 1.508 9.310 19.637 173 1HB ASN 21 HB2 ASN 21 0.332 10.014 21.699 174 2HB ASN 21 HB1 ASN 21 -0.013 8.326 22.065 175 1HD2 ASN 21 HD21 ASN 21 3.060 9.298 20.594 176 2HD2 ASN 21 HD22 ASN 21 4.012 8.974 21.959 177 H GLN 22 HN GLN 22 0.808 7.264 17.979 178 HA GLN 22 HA GLN 22 0.949 4.663 18.997 179 1HB GLN 22 HB2 GLN 22 0.405 5.263 16.634 180 2HB GLN 22 HB1 GLN 22 2.108 5.645 16.377 181 1HG GLN 22 HG2 GLN 22 2.738 3.340 16.928 182 2HG GLN 22 HG1 GLN 22 1.057 2.947 17.282 183 1HE2 GLN 22 HE21 GLN 22 -0.005 1.965 15.569 184 2HE2 GLN 22 HE22 GLN 22 0.389 2.170 13.930 185 H SER 23 HN SER 23 3.575 6.777 17.846 186 HA SER 23 HA SER 23 5.431 5.905 19.796 187 1HB SER 23 HB2 SER 23 6.989 4.672 18.254 188 2HB SER 23 HB1 SER 23 5.503 3.801 18.603 189 HG SER 23 HG SER 23 4.864 4.072 16.594 190 H GLU 24 HN GLU 24 5.155 8.355 19.508 191 HA GLU 24 HA GLU 24 7.532 9.350 18.274 192 1HB GLU 24 HB2 GLU 24 5.763 9.071 16.351 193 2HB GLU 24 HB1 GLU 24 5.010 10.500 17.046 194 1HG GLU 24 HG2 GLU 24 6.498 11.385 15.412 195 2HG GLU 24 HG1 GLU 24 7.380 11.573 16.927 196 H ASP 25 HN ASP 25 5.833 11.962 17.892 197 HA ASP 25 HA ASP 25 5.165 12.693 20.623 198 1HB ASP 25 HB2 ASP 25 7.572 13.892 19.218 199 2HB ASP 25 HB1 ASP 25 6.848 14.528 20.697 200 H LYS 26 HN LYS 26 5.288 15.404 20.391 201 HA LYS 26 HA LYS 26 3.088 15.912 18.561 202 1HB LYS 26 HB2 LYS 26 3.209 16.835 20.885 203 2HB LYS 26 HB1 LYS 26 4.543 17.852 20.363 204 1HG LYS 26 HG2 LYS 26 3.117 18.972 18.727 205 2HG LYS 26 HG1 LYS 26 1.798 17.847 19.050 206 1HD LYS 26 HD2 LYS 26 1.351 19.911 20.246 207 2HD LYS 26 HD1 LYS 26 1.754 18.668 21.424 208 1HE LYS 26 HE2 LYS 26 3.934 19.579 21.789 209 2HE LYS 26 HE1 LYS 26 3.839 20.588 20.344 210 1HZ LYS 26 HZ1 LYS 26 1.680 21.360 21.763 211 2HZ LYS 26 HZ2 LYS 26 3.180 22.158 21.761 212 3HZ LYS 26 HZ3 LYS 26 2.808 21.048 22.991 213 H ILE 27 HN ILE 27 5.172 18.594 18.928 214 HA ILE 27 HA ILE 27 5.443 18.979 16.143 215 HB ILE 27 HB ILE 27 5.456 20.788 17.820 216 1HG1 ILE 27 HG12 ILE 27 8.043 20.724 16.233 217 2HG1 ILE 27 HG11 ILE 27 6.470 21.005 15.491 218 1HG2 ILE 27 HG21 ILE 27 7.382 21.200 19.203 219 2HG2 ILE 27 HG22 ILE 27 8.289 19.895 18.439 220 3HG2 ILE 27 HG23 ILE 27 6.905 19.524 19.470 221 1HD1 ILE 27 HD11 ILE 27 6.298 23.108 16.320 222 2HD1 ILE 27 HD12 ILE 27 8.052 22.998 16.404 223 3HD1 ILE 27 HD13 ILE 27 7.087 22.720 17.847 224 H HIS 28 HN HIS 28 7.562 17.607 18.600 225 HA HIS 28 HA HIS 28 9.901 17.438 17.010 226 1HB HIS 28 HB2 HIS 28 8.997 15.778 19.372 227 2HB HIS 28 HB1 HIS 28 10.622 15.756 18.693 228 HD1 HIS 28 HD1 HIS 28 11.904 18.144 18.736 229 HD2 HIS 28 HD2 HIS 28 8.543 17.835 21.183 230 HE1 HIS 28 HE1 HIS 28 12.044 20.056 20.392 231 HE2 HIS 28 HE2 HIS 28 10.002 19.881 21.890 232 H ALA 29 HN ALA 29 7.079 16.218 16.184 233 HA ALA 29 HA ALA 29 7.688 13.471 15.604 234 1HB ALA 29 HB1 ALA 29 5.603 13.570 14.254 235 2HB ALA 29 HB2 ALA 29 5.517 15.303 14.571 236 3HB ALA 29 HB3 ALA 29 5.379 14.156 15.901 237 H MET 30 HN MET 30 7.659 16.491 13.771 238 HA MET 30 HA MET 30 8.250 15.384 11.258 239 1HB MET 30 HB2 MET 30 8.936 17.648 10.634 240 2HB MET 30 HB1 MET 30 7.452 17.695 11.575 241 1HG MET 30 HG2 MET 30 8.644 19.368 12.677 242 2HG MET 30 HG1 MET 30 9.172 17.986 13.623 243 1HE MET 30 HE1 MET 30 12.217 20.457 13.236 244 2HE MET 30 HE2 MET 30 11.108 19.681 14.363 245 3HE MET 30 HE3 MET 30 10.499 20.877 13.223 246 H ASN 31 HN ASN 31 10.379 16.696 13.810 247 HA ASN 31 HA ASN 31 12.809 16.486 12.491 248 1HB ASN 31 HB2 ASN 31 12.520 17.462 14.746 249 2HB ASN 31 HB1 ASN 31 12.267 15.845 15.399 250 1HD2 ASN 31 HD21 ASN 31 14.541 17.967 15.696 251 2HD2 ASN 31 HD22 ASN 31 15.950 17.055 15.443 252 H SER 32 HN SER 32 11.057 13.958 14.286 253 HA SER 32 HA SER 32 13.052 11.942 13.849 254 1HB SER 32 HB2 SER 32 10.115 11.670 14.519 255 2HB SER 32 HB1 SER 32 11.314 10.385 14.629 256 HG SER 32 HG SER 32 12.358 12.373 15.918 257 H TYR 33 HN TYR 33 9.825 12.465 12.407 258 HA TYR 33 HA TYR 33 9.997 10.434 10.464 259 1HB TYR 33 HB2 TYR 33 7.871 11.490 11.090 260 2HB TYR 33 HB1 TYR 33 8.421 13.028 10.420 261 HD1 TYR 33 HD2 TYR 33 8.778 13.290 7.986 262 HD2 TYR 33 HD1 TYR 33 7.157 9.675 9.641 263 HE1 TYR 33 HE2 TYR 33 8.030 12.588 5.723 264 HE2 TYR 33 HE1 TYR 33 6.397 8.977 7.384 265 HH TYR 33 HH TYR 33 5.941 9.823 5.256 266 H TYR 34 HN TYR 34 10.801 13.889 10.318 267 HA TYR 34 HA TYR 34 11.416 14.062 7.593 268 1HB TYR 34 HB2 TYR 34 11.194 16.001 9.192 269 2HB TYR 34 HB1 TYR 34 12.784 15.589 9.833 270 HD1 TYR 34 HD1 TYR 34 14.803 15.713 8.325 271 HD2 TYR 34 HD2 TYR 34 10.928 17.103 7.097 272 HE1 TYR 34 HE1 TYR 34 15.844 16.969 6.456 273 HE2 TYR 34 HE2 TYR 34 11.971 18.343 5.220 274 HH TYR 34 HH TYR 34 14.029 19.217 4.516 275 H ARG 35 HN ARG 35 13.522 13.346 10.381 276 HA ARG 35 HA ARG 35 15.863 12.940 8.796 277 1HB ARG 35 HB2 ARG 35 15.137 12.176 11.631 278 2HB ARG 35 HB1 ARG 35 16.702 11.780 10.922 279 1HG ARG 35 HG2 ARG 35 17.108 14.168 10.465 280 2HG ARG 35 HG1 ARG 35 15.540 14.573 11.165 281 1HD ARG 35 HD2 ARG 35 17.300 14.903 12.833 282 2HD ARG 35 HD1 ARG 35 16.261 13.563 13.314 283 HE ARG 35 HE ARG 35 18.470 12.604 11.794 284 1HH1 ARG 35 HH21 ARG 35 17.580 13.910 14.872 285 2HH1 ARG 35 HH22 ARG 35 18.852 13.110 15.735 286 1HH2 ARG 35 HH11 ARG 35 20.140 11.551 12.918 287 2HH2 ARG 35 HH12 ARG 35 20.301 11.774 14.628 288 H SER 36 HN SER 36 13.176 10.920 9.726 289 HA SER 36 HA SER 36 14.407 8.404 9.271 290 1HB SER 36 HB2 SER 36 12.285 8.660 10.508 291 2HB SER 36 HB1 SER 36 11.489 9.157 9.021 292 HG SER 36 HG SER 36 11.915 6.709 9.900 293 H VAL 37 HN VAL 37 12.440 10.519 7.195 294 HA VAL 37 HA VAL 37 12.548 8.806 4.917 295 HB VAL 37 HB VAL 37 12.050 11.783 5.109 296 1HG1 VAL 37 HG11 VAL 37 10.882 11.392 2.888 297 2HG1 VAL 37 HG12 VAL 37 11.647 9.803 2.846 298 3HG1 VAL 37 HG13 VAL 37 12.636 11.259 2.829 299 1HG2 VAL 37 HG21 VAL 37 10.205 9.378 5.040 300 2HG2 VAL 37 HG22 VAL 37 9.666 11.048 4.886 301 3HG2 VAL 37 HG23 VAL 37 10.422 10.504 6.378 302 H VAL 38 HN VAL 38 14.410 11.674 5.893 303 HA VAL 38 HA VAL 38 16.009 11.993 3.640 304 HB VAL 38 HB VAL 38 16.673 12.403 6.562 305 1HG1 VAL 38 HG11 VAL 38 18.818 12.226 5.503 306 2HG1 VAL 38 HG12 VAL 38 18.498 13.954 5.609 307 3HG1 VAL 38 HG13 VAL 38 18.270 13.109 4.077 308 1HG2 VAL 38 HG21 VAL 38 16.159 14.538 4.468 309 2HG2 VAL 38 HG22 VAL 38 16.033 14.654 6.221 310 3HG2 VAL 38 HG23 VAL 38 14.819 13.765 5.311 311 H SER 39 HN SER 39 16.620 9.904 6.464 312 HA SER 39 HA SER 39 19.083 8.882 5.638 313 1HB SER 39 HB2 SER 39 18.127 8.523 7.886 314 2HB SER 39 HB1 SER 39 16.900 7.470 7.188 315 HG SER 39 HG SER 39 18.361 5.951 6.887 316 H THR 40 HN THR 40 15.780 7.782 4.925 317 HA THR 40 HA THR 40 16.519 5.473 3.471 318 HB THR 40 HB THR 40 14.026 7.175 3.284 319 HG1 THR 40 HG1 THR 40 14.886 5.033 4.869 320 1HG2 THR 40 HG21 THR 40 14.104 5.855 1.299 321 2HG2 THR 40 HG22 THR 40 13.067 4.962 2.411 322 3HG2 THR 40 HG23 THR 40 14.735 4.449 2.161 323 H LEU 41 HN LEU 41 15.775 8.793 2.456 324 HA LEU 41 HA LEU 41 15.962 8.394 -0.320 325 1HB LEU 41 HB2 LEU 41 16.586 10.805 1.389 326 2HB LEU 41 HB1 LEU 41 16.536 10.866 -0.370 327 HG LEU 41 HG LEU 41 14.226 9.932 1.365 328 1HD1 LEU 41 HD11 LEU 41 14.551 12.247 1.858 329 2HD1 LEU 41 HD12 LEU 41 13.234 12.184 0.703 330 3HD1 LEU 41 HD13 LEU 41 14.853 12.647 0.176 331 1HD2 LEU 41 HD21 LEU 41 13.018 10.609 -0.920 332 2HD2 LEU 41 HD22 LEU 41 13.757 9.030 -0.744 333 3HD2 LEU 41 HD23 LEU 41 14.608 10.304 -1.615 334 H VAL 42 HN VAL 42 18.479 9.350 2.012 335 HA VAL 42 HA VAL 42 20.566 9.399 0.045 336 HB VAL 42 HB VAL 42 20.722 9.242 3.066 337 1HG1 VAL 42 HG11 VAL 42 22.835 8.524 2.138 338 2HG1 VAL 42 HG12 VAL 42 23.039 10.204 2.634 339 3HG1 VAL 42 HG13 VAL 42 22.805 9.809 0.929 340 1HG2 VAL 42 HG21 VAL 42 19.580 11.254 2.404 341 2HG2 VAL 42 HG22 VAL 42 20.701 11.545 1.075 342 3HG2 VAL 42 HG23 VAL 42 21.243 11.723 2.750 343 H GLN 43 HN GLN 43 19.359 7.009 2.344 344 HA GLN 43 HA GLN 43 21.455 5.113 1.889 345 1HB GLN 43 HB2 GLN 43 20.065 5.120 3.937 346 2HB GLN 43 HB1 GLN 43 18.674 4.645 2.965 347 1HG GLN 43 HG2 GLN 43 19.742 2.564 2.337 348 2HG GLN 43 HG1 GLN 43 21.247 3.056 3.112 349 1HE2 GLN 43 HE21 GLN 43 19.900 0.652 3.877 350 2HE2 GLN 43 HE22 GLN 43 19.314 0.849 5.457 351 H ASP 44 HN ASP 44 18.323 5.756 0.437 352 HA ASP 44 HA ASP 44 18.216 3.320 -1.081 353 1HB ASP 44 HB2 ASP 44 16.706 5.940 -1.272 354 2HB ASP 44 HB1 ASP 44 16.405 4.579 -2.352 355 H GLN 45 HN GLN 45 17.935 3.577 -3.543 356 HA GLN 45 HA GLN 45 19.746 3.545 -5.251 357 1HB GLN 45 HB2 GLN 45 19.018 5.410 -6.722 358 2HB GLN 45 HB1 GLN 45 17.663 4.506 -6.048 359 1HG GLN 45 HG2 GLN 45 17.476 6.229 -4.240 360 2HG GLN 45 HG1 GLN 45 18.736 7.161 -5.045 361 1HE2 GLN 45 HE21 GLN 45 16.877 8.827 -5.191 362 2HE2 GLN 45 HE22 GLN 45 15.827 8.701 -6.518 363 H LEU 46 HN LEU 46 20.866 5.809 -6.586 364 HA LEU 46 HA LEU 46 22.044 7.710 -4.952 365 1HB LEU 46 HB2 LEU 46 23.232 5.094 -4.541 366 2HB LEU 46 HB1 LEU 46 24.443 6.086 -5.324 367 HG LEU 46 HG LEU 46 22.909 7.018 -2.868 368 1HD1 LEU 46 HD11 LEU 46 25.618 5.663 -3.048 369 2HD1 LEU 46 HD12 LEU 46 24.166 4.983 -2.311 370 3HD1 LEU 46 HD13 LEU 46 24.941 6.395 -1.592 371 1HD2 LEU 46 HD21 LEU 46 24.019 8.760 -4.305 372 2HD2 LEU 46 HD22 LEU 46 25.545 7.904 -4.103 373 3HD2 LEU 46 HD23 LEU 46 24.755 8.635 -2.709 374 H THR 47 HN THR 47 21.007 7.214 -7.607 375 HA THR 47 HA THR 47 23.002 7.258 -9.557 376 HB THR 47 HB THR 47 20.657 6.830 -10.067 377 HG1 THR 47 HG1 THR 47 21.654 7.568 -11.819 378 1HG2 THR 47 HG21 THR 47 18.965 8.520 -9.931 379 2HG2 THR 47 HG22 THR 47 20.148 9.760 -9.527 380 3HG2 THR 47 HG23 THR 47 19.777 8.484 -8.366 381 H LYS 48 HN LYS 48 21.441 9.857 -7.742 382 HA LYS 48 HA LYS 48 23.740 11.558 -8.088 383 1HB LYS 48 HB2 LYS 48 22.478 11.759 -10.273 384 2HB LYS 48 HB1 LYS 48 21.146 12.467 -9.359 385 1HG LYS 48 HG2 LYS 48 22.508 14.285 -8.628 386 2HG LYS 48 HG1 LYS 48 23.971 13.558 -9.280 387 1HD LYS 48 HD2 LYS 48 22.998 13.736 -11.558 388 2HD LYS 48 HD1 LYS 48 21.595 14.556 -10.871 389 1HE LYS 48 HE2 LYS 48 23.090 16.301 -9.948 390 2HE LYS 48 HE1 LYS 48 24.467 15.492 -10.683 391 1HZ LYS 48 HZ1 LYS 48 23.475 15.802 -12.852 392 2HZ LYS 48 HZ2 LYS 48 23.644 17.302 -12.071 393 3HZ LYS 48 HZ3 LYS 48 22.121 16.554 -12.161 394 H ASN 49 HN ASN 49 23.879 13.015 -6.433 395 HA ASN 49 HA ASN 49 22.083 12.844 -4.288 396 1HB ASN 49 HB2 ASN 49 23.289 14.744 -3.330 397 2HB ASN 49 HB1 ASN 49 24.385 13.519 -3.969 398 1HD2 ASN 49 HD21 ASN 49 25.466 16.037 -3.742 399 2HD2 ASN 49 HD22 ASN 49 25.594 16.776 -5.265 400 H ALA 50 HN ALA 50 21.755 14.447 -7.192 401 HA ALA 50 HA ALA 50 20.298 16.776 -6.298 402 1HB ALA 50 HB1 ALA 50 20.422 15.416 -8.993 403 2HB ALA 50 HB2 ALA 50 21.364 16.808 -8.466 404 3HB ALA 50 HB3 ALA 50 19.626 16.959 -8.691 405 H VAL 51 HN VAL 51 19.286 13.701 -7.831 406 HA VAL 51 HA VAL 51 16.528 14.206 -7.723 407 HB VAL 51 HB VAL 51 16.205 11.827 -8.080 408 1HG1 VAL 51 HG11 VAL 51 17.790 11.449 -9.970 409 2HG1 VAL 51 HG12 VAL 51 18.731 12.839 -9.426 410 3HG1 VAL 51 HG13 VAL 51 17.075 13.064 -9.999 411 1HG2 VAL 51 HG21 VAL 51 19.002 11.613 -7.024 412 2HG2 VAL 51 HG22 VAL 51 18.362 10.362 -8.038 413 3HG2 VAL 51 HG23 VAL 51 17.600 10.715 -6.502 414 H VAL 52 HN VAL 52 18.492 12.227 -5.477 415 HA VAL 52 HA VAL 52 16.512 11.634 -3.622 416 HB VAL 52 HB VAL 52 18.285 11.167 -2.046 417 1HG1 VAL 52 HG11 VAL 52 18.194 9.840 -4.244 418 2HG1 VAL 52 HG12 VAL 52 19.741 9.807 -3.403 419 3HG1 VAL 52 HG13 VAL 52 19.528 10.847 -4.810 420 1HG2 VAL 52 HG21 VAL 52 19.495 13.243 -1.996 421 2HG2 VAL 52 HG22 VAL 52 19.851 13.135 -3.712 422 3HG2 VAL 52 HG23 VAL 52 20.639 12.039 -2.586 423 H LEU 53 HN LEU 53 18.338 14.589 -4.055 424 HA LEU 53 HA LEU 53 17.481 15.831 -1.624 425 1HB LEU 53 HB2 LEU 53 19.575 16.436 -2.686 426 2HB LEU 53 HB1 LEU 53 18.714 17.006 -4.112 427 HG LEU 53 HG LEU 53 17.721 18.219 -1.562 428 1HD1 LEU 53 HD11 LEU 53 20.552 18.769 -2.485 429 2HD1 LEU 53 HD12 LEU 53 20.047 18.123 -0.923 430 3HD1 LEU 53 HD13 LEU 53 19.648 19.784 -1.359 431 1HD2 LEU 53 HD21 LEU 53 17.856 20.288 -2.897 432 2HD2 LEU 53 HD22 LEU 53 17.023 19.018 -3.793 433 3HD2 LEU 53 HD23 LEU 53 18.694 19.415 -4.179 434 H LYS 54 HN LYS 54 16.279 15.631 -4.873 435 HA LYS 54 HA LYS 54 14.625 17.850 -5.010 436 1HB LYS 54 HB2 LYS 54 13.730 16.826 -6.892 437 2HB LYS 54 HB1 LYS 54 15.084 15.735 -6.650 438 1HG LYS 54 HG2 LYS 54 13.527 14.258 -5.280 439 2HG LYS 54 HG1 LYS 54 12.208 15.308 -5.773 440 1HD LYS 54 HD2 LYS 54 12.736 14.809 -8.139 441 2HD LYS 54 HD1 LYS 54 13.978 13.676 -7.595 442 1HE LYS 54 HE2 LYS 54 11.033 13.531 -6.884 443 2HE LYS 54 HE1 LYS 54 11.851 12.493 -8.051 444 1HZ LYS 54 HZ1 LYS 54 11.678 12.180 -5.275 445 2HZ LYS 54 HZ2 LYS 54 13.309 12.462 -5.656 446 3HZ LYS 54 HZ3 LYS 54 12.471 11.180 -6.392 447 H ARG 55 HN ARG 55 14.118 14.785 -3.374 448 HA ARG 55 HA ARG 55 11.397 15.325 -2.653 449 1HB ARG 55 HB2 ARG 55 12.510 13.031 -2.946 450 2HB ARG 55 HB1 ARG 55 13.233 13.305 -1.373 451 1HG ARG 55 HG2 ARG 55 11.277 12.217 -0.683 452 2HG ARG 55 HG1 ARG 55 10.684 13.874 -0.677 453 1HD ARG 55 HD2 ARG 55 9.083 12.507 -1.867 454 2HD ARG 55 HD1 ARG 55 9.906 13.518 -3.050 455 HE ARG 55 HE ARG 55 10.878 11.605 -3.962 456 1HH1 ARG 55 HH21 ARG 55 9.482 10.958 -0.863 457 2HH1 ARG 55 HH22 ARG 55 9.675 9.241 -0.980 458 1HH2 ARG 55 HH11 ARG 55 11.125 9.353 -4.129 459 2HH2 ARG 55 HH12 ARG 55 10.605 8.332 -2.830 460 H ILE 56 HN ILE 56 14.552 15.658 -1.131 461 HA ILE 56 HA ILE 56 13.711 16.173 1.489 462 HB ILE 56 HB ILE 56 16.073 17.354 0.010 463 1HG1 ILE 56 HG12 ILE 56 15.837 14.845 1.703 464 2HG1 ILE 56 HG11 ILE 56 15.977 14.882 -0.045 465 1HG2 ILE 56 HG21 ILE 56 15.638 18.545 2.103 466 2HG2 ILE 56 HG22 ILE 56 17.053 17.531 2.303 467 3HG2 ILE 56 HG23 ILE 56 15.505 17.018 2.969 468 1HD1 ILE 56 HD11 ILE 56 18.161 16.348 0.560 469 2HD1 ILE 56 HD12 ILE 56 18.198 14.590 0.463 470 3HD1 ILE 56 HD13 ILE 56 18.044 15.381 2.027 471 H GLN 57 HN GLN 57 14.369 18.457 -1.176 472 HA GLN 57 HA GLN 57 13.702 20.803 0.184 473 1HB GLN 57 HB2 GLN 57 13.409 20.132 -2.755 474 2HB GLN 57 HB1 GLN 57 13.354 21.759 -2.077 475 1HG GLN 57 HG2 GLN 57 15.707 19.874 -1.747 476 2HG GLN 57 HG1 GLN 57 15.605 21.113 -2.997 477 1HE2 GLN 57 HE21 GLN 57 16.789 20.560 0.093 478 2HE2 GLN 57 HE22 GLN 57 16.878 22.167 0.629 479 H HIS 58 HN HIS 58 11.716 18.460 -1.540 480 HA HIS 58 HA HIS 58 9.306 20.019 -1.380 481 1HB HIS 58 HB2 HIS 58 9.718 17.061 -1.893 482 2HB HIS 58 HB1 HIS 58 8.197 17.931 -2.094 483 HD1 HIS 58 HD1 HIS 58 9.775 20.541 -3.236 484 HD2 HIS 58 HD2 HIS 58 9.915 16.656 -4.739 485 HE1 HIS 58 HE1 HIS 58 10.498 20.735 -5.656 486 HE2 HIS 58 HE2 HIS 58 10.588 18.374 -6.586 487 H LEU 59 HN LEU 59 10.761 17.397 0.497 488 HA LEU 59 HA LEU 59 8.612 16.763 2.129 489 1HB LEU 59 HB2 LEU 59 11.145 15.865 1.994 490 2HB LEU 59 HB1 LEU 59 11.341 16.892 3.405 491 HG LEU 59 HG LEU 59 9.383 14.598 3.062 492 1HD1 LEU 59 HD11 LEU 59 11.642 13.880 3.567 493 2HD1 LEU 59 HD12 LEU 59 10.642 13.689 5.009 494 3HD1 LEU 59 HD13 LEU 59 11.755 15.050 4.886 495 1HD2 LEU 59 HD21 LEU 59 8.941 15.129 5.577 496 2HD2 LEU 59 HD22 LEU 59 8.162 16.124 4.359 497 3HD2 LEU 59 HD23 LEU 59 9.587 16.726 5.197 498 H ASP 60 HN ASP 60 10.827 19.487 2.315 499 HA ASP 60 HA ASP 60 10.350 20.466 4.856 500 1HB ASP 60 HB2 ASP 60 10.569 22.142 2.345 501 2HB ASP 60 HB1 ASP 60 10.931 22.657 3.992 502 H GLU 61 HN GLU 61 8.208 20.375 2.121 503 HA GLU 61 HA GLU 61 6.373 22.383 2.851 504 1HB GLU 61 HB2 GLU 61 4.920 21.418 1.243 505 2HB GLU 61 HB1 GLU 61 6.544 21.058 0.658 506 1HG GLU 61 HG2 GLU 61 6.277 18.798 1.963 507 2HG GLU 61 HG1 GLU 61 4.563 19.187 1.991 508 H ALA 62 HN ALA 62 6.660 18.996 3.810 509 HA ALA 62 HA ALA 62 4.191 18.915 5.250 510 1HB ALA 62 HB1 ALA 62 4.874 16.746 5.942 511 2HB ALA 62 HB2 ALA 62 6.568 17.109 5.689 512 3HB ALA 62 HB3 ALA 62 5.491 16.926 4.306 513 H TYR 63 HN TYR 63 7.599 19.174 6.218 514 HA TYR 63 HA TYR 63 7.322 19.231 8.947 515 1HB TYR 63 HB2 TYR 63 9.579 19.380 8.541 516 2HB TYR 63 HB1 TYR 63 9.320 20.182 6.998 517 HD1 TYR 63 HD2 TYR 63 9.704 20.699 10.646 518 HD2 TYR 63 HD1 TYR 63 9.303 22.610 6.825 519 HE1 TYR 63 HE2 TYR 63 10.316 22.870 11.671 520 HE2 TYR 63 HE1 TYR 63 9.909 24.785 7.848 521 HH TYR 63 HH TYR 63 9.662 25.646 10.589 522 H ASN 64 HN ASN 64 6.812 21.849 6.620 523 HA ASN 64 HA ASN 64 6.487 23.958 8.474 524 1HB ASN 64 HB2 ASN 64 6.928 24.344 6.091 525 2HB ASN 64 HB1 ASN 64 5.361 23.647 5.681 526 1HD2 ASN 64 HD21 ASN 64 6.935 26.583 6.417 527 2HD2 ASN 64 HD22 ASN 64 5.554 27.516 6.733 528 H LYS 65 HN LYS 65 4.222 21.706 6.983 529 HA LYS 65 HA LYS 65 1.868 22.883 8.013 530 1HB LYS 65 HB2 LYS 65 2.495 20.058 7.143 531 2HB LYS 65 HB1 LYS 65 0.884 20.596 7.606 532 1HG LYS 65 HG2 LYS 65 0.971 22.339 5.842 533 2HG LYS 65 HG1 LYS 65 2.573 21.783 5.388 534 1HD LYS 65 HD2 LYS 65 1.155 20.689 3.831 535 2HD LYS 65 HD1 LYS 65 1.487 19.460 5.047 536 1HE LYS 65 HE2 LYS 65 -0.673 19.781 6.077 537 2HE LYS 65 HE1 LYS 65 -0.977 21.233 5.127 538 1HZ LYS 65 HZ1 LYS 65 -1.415 18.508 4.452 539 2HZ LYS 65 HZ2 LYS 65 -0.433 19.270 3.293 540 3HZ LYS 65 HZ3 LYS 65 -1.961 19.911 3.670 541 H VAL 66 HN VAL 66 4.197 20.612 9.347 542 HA VAL 66 HA VAL 66 2.625 19.752 11.531 543 HB VAL 66 HB VAL 66 5.634 19.808 11.175 544 1HG1 VAL 66 HG11 VAL 66 5.235 19.698 13.540 545 2HG1 VAL 66 HG12 VAL 66 5.547 18.044 13.017 546 3HG1 VAL 66 HG13 VAL 66 3.893 18.574 13.327 547 1HG2 VAL 66 HG21 VAL 66 4.558 18.369 9.559 548 2HG2 VAL 66 HG22 VAL 66 3.513 17.670 10.795 549 3HG2 VAL 66 HG23 VAL 66 5.243 17.347 10.818 550 H LYS 67 HN LYS 67 4.936 22.354 11.119 551 HA LYS 67 HA LYS 67 4.960 23.225 13.802 552 1HB LYS 67 HB2 LYS 67 5.465 24.749 11.260 553 2HB LYS 67 HB1 LYS 67 5.965 25.218 12.878 554 1HG LYS 67 HG2 LYS 67 6.771 22.460 11.939 555 2HG LYS 67 HG1 LYS 67 7.588 23.808 11.238 556 1HD LYS 67 HD2 LYS 67 7.315 23.555 14.228 557 2HD LYS 67 HD1 LYS 67 8.608 22.723 13.378 558 1HE LYS 67 HE2 LYS 67 9.387 24.919 12.482 559 2HE LYS 67 HE1 LYS 67 8.146 25.733 13.420 560 1HZ LYS 67 HZ1 LYS 67 10.518 25.451 14.384 561 2HZ LYS 67 HZ2 LYS 67 9.985 23.885 14.771 562 3HZ LYS 67 HZ3 LYS 67 9.170 25.241 15.390 563 H ARG 68 HN ARG 68 3.179 24.320 10.938 564 HA ARG 68 HA ARG 68 1.673 26.270 12.426 565 1HB ARG 68 HB2 ARG 68 2.337 26.304 9.908 566 2HB ARG 68 HB1 ARG 68 0.973 25.216 9.677 567 1HG ARG 68 HG2 ARG 68 -0.069 27.293 9.363 568 2HG ARG 68 HG1 ARG 68 -0.354 27.044 11.077 569 1HD ARG 68 HD2 ARG 68 1.599 28.442 11.623 570 2HD ARG 68 HD1 ARG 68 1.933 28.656 9.909 571 HE ARG 68 HE ARG 68 -0.635 29.543 10.159 572 1HH1 ARG 68 HH21 ARG 68 2.340 30.172 11.809 573 2HH1 ARG 68 HH22 ARG 68 1.950 31.819 12.176 574 1HH2 ARG 68 HH11 ARG 68 -1.150 31.706 10.628 575 2HH2 ARG 68 HH12 ARG 68 -0.027 32.688 11.507 576 H GLY 69 HN GLY 69 1.454 22.913 11.929 577 1HA GLY 69 HA2 GLY 69 -1.465 22.777 12.272 578 2HA GLY 69 HA1 GLY 69 -0.373 21.425 11.991 579 H GLU 70 HN GLU 70 1.519 21.962 14.001 580 HA GLU 70 HA GLU 70 0.225 20.791 16.256 581 1HB GLU 70 HB2 GLU 70 2.405 20.695 17.234 582 2HB GLU 70 HB1 GLU 70 2.600 20.376 15.514 583 1HG GLU 70 HG2 GLU 70 4.276 21.965 15.784 584 2HG GLU 70 HG1 GLU 70 2.928 23.009 15.397 585 H SER 71 HN SER 71 1.174 24.029 15.363 586 HA SER 71 HA SER 71 -0.186 25.095 17.764 587 1HB SER 71 HB2 SER 71 1.657 26.793 17.967 588 2HB SER 71 HB1 SER 71 2.134 25.150 18.383 589 HG SER 71 HG SER 71 2.564 26.499 15.920 590 H LYS 72 HN LYS 72 -1.799 26.229 16.959 591 HA LYS 72 HA LYS 72 -1.672 27.483 14.346 592 1HB LYS 72 HB2 LYS 72 -3.792 27.524 16.513 593 2HB LYS 72 HB1 LYS 72 -3.980 28.224 14.903 594 1HG LYS 72 HG2 LYS 72 -3.595 26.014 13.887 595 2HG LYS 72 HG1 LYS 72 -3.391 25.309 15.492 596 1HD LYS 72 HD2 LYS 72 -5.688 25.973 16.087 597 2HD LYS 72 HD1 LYS 72 -5.898 26.686 14.486 598 1HE LYS 72 HE2 LYS 72 -5.522 24.484 13.448 599 2HE LYS 72 HE1 LYS 72 -5.296 23.766 15.044 600 1HZ LYS 72 HZ1 LYS 72 -7.658 23.985 13.733 601 2HZ LYS 72 HZ2 LYS 72 -7.717 25.288 14.822 602 3HZ LYS 72 HZ3 LYS 72 -7.479 23.706 15.396 603 H LEU 73 HN LEU 73 -3.449 29.422 16.398 604 HA LEU 73 HA LEU 73 -1.356 31.539 16.397 605 1HB LEU 73 HB2 LEU 73 -4.347 31.867 16.711 606 2HB LEU 73 HB1 LEU 73 -3.151 33.122 16.382 607 HG LEU 73 HG LEU 73 -3.827 30.809 14.549 608 1HD1 LEU 73 HD11 LEU 73 -5.610 32.547 14.766 609 2HD1 LEU 73 HD12 LEU 73 -4.914 32.482 13.147 610 3HD1 LEU 73 HD13 LEU 73 -4.439 33.766 14.259 611 1HD2 LEU 73 HD21 LEU 73 -1.839 33.091 14.340 612 2HD2 LEU 73 HD22 LEU 73 -2.479 32.306 12.896 613 3HD2 LEU 73 HD23 LEU 73 -1.569 31.368 14.071 614 H GLU 74 HN GLU 74 -1.146 29.628 18.376 615 HA GLU 74 HA GLU 74 -2.405 30.686 20.801 616 1HB GLU 74 HB2 GLU 74 -1.265 28.806 21.915 617 2HB GLU 74 HB1 GLU 74 -2.230 28.259 20.545 618 1HG GLU 74 HG2 GLU 74 -0.167 28.271 19.136 619 2HG GLU 74 HG1 GLU 74 0.773 28.697 20.565 620 H HIS 75 HN HIS 75 0.618 30.810 19.097 621 HA HIS 75 HA HIS 75 2.605 31.874 19.526 622 1HB HIS 75 HB2 HIS 75 0.835 33.601 21.273 623 2HB HIS 75 HB1 HIS 75 2.437 34.031 20.674 624 HD1 HIS 75 HD1 HIS 75 0.193 35.852 19.826 625 HD2 HIS 75 HD2 HIS 75 1.223 32.451 17.647 626 HE1 HIS 75 HE1 HIS 75 -0.666 36.222 17.474 627 HE2 HIS 75 HE2 HIS 75 -0.046 34.157 16.132 628 H HIS 76 HN HIS 76 3.327 29.930 20.658 629 HA HIS 76 HA HIS 76 3.128 29.739 23.515 630 1HB HIS 76 HB2 HIS 76 3.477 27.781 21.984 631 2HB HIS 76 HB1 HIS 76 5.111 28.369 21.677 632 HD1 HIS 76 HD1 HIS 76 2.932 27.355 24.636 633 HD2 HIS 76 HD2 HIS 76 6.958 27.538 23.573 634 HE1 HIS 76 HE1 HIS 76 4.225 26.311 26.548 635 HE2 HIS 76 HE2 HIS 76 6.682 26.416 25.914 636 H HIS 77 HN HIS 77 4.893 31.746 21.509 637 HA HIS 77 HA HIS 77 6.573 32.644 23.708 638 1HB HIS 77 HB2 HIS 77 7.915 30.816 22.673 639 2HB HIS 77 HB1 HIS 77 7.853 31.679 21.136 640 HD1 HIS 77 HD1 HIS 77 9.376 33.713 20.849 641 HD2 HIS 77 HD2 HIS 77 9.468 32.158 24.716 642 HE1 HIS 77 HE1 HIS 77 11.277 34.883 22.047 643 HE2 HIS 77 HE2 HIS 77 11.345 33.946 24.406 644 H HIS 78 HN HIS 78 7.833 34.595 23.072 645 HA HIS 78 HA HIS 78 6.131 36.431 21.676 646 1HB HIS 78 HB2 HIS 78 8.952 36.753 22.729 647 2HB HIS 78 HB1 HIS 78 7.929 38.066 22.147 648 HD1 HIS 78 HD1 HIS 78 8.244 35.581 24.960 649 HD2 HIS 78 HD2 HIS 78 5.868 38.848 23.931 650 HE1 HIS 78 HE1 HIS 78 6.882 36.153 27.017 651 HE2 HIS 78 HE2 HIS 78 5.429 38.143 26.406 652 H HIS 79 HN HIS 79 6.606 37.605 19.779 653 HA HIS 79 HA HIS 79 8.878 36.949 18.126 654 1HB HIS 79 HB2 HIS 79 7.427 34.964 17.758 655 2HB HIS 79 HB1 HIS 79 6.136 36.035 17.214 656 HD1 HIS 79 HD1 HIS 79 6.392 37.147 14.899 657 HD2 HIS 79 HD2 HIS 79 9.629 34.731 15.935 658 HE1 HIS 79 HE1 HIS 79 7.781 36.871 12.799 659 HE2 HIS 79 HE2 HIS 79 9.758 35.400 13.415 660 H HIS 80 HN HIS 80 9.306 38.596 16.793 661 HA HIS 80 HA HIS 80 7.685 40.960 16.873 662 1HB HIS 80 HB2 HIS 80 10.100 40.234 15.193 663 2HB HIS 80 HB1 HIS 80 9.370 41.838 15.252 664 HD1 HIS 80 HD1 HIS 80 11.336 39.398 17.336 665 HD2 HIS 80 HD2 HIS 80 9.867 43.289 17.641 666 HE1 HIS 80 HE1 HIS 80 12.410 40.411 19.395 667 HE2 HIS 80 HE2 HIS 80 11.524 42.783 19.594 668 1H MET 1 HT1 MET 1 39.139 30.341 14.489 669 2H MET 1 HT2 MET 1 38.704 28.804 15.068 670 3H MET 1 HT3 MET 1 38.457 29.201 13.435 671 HA MET 1 HA MET 1 41.020 29.611 13.469 672 1HB MET 1 HB2 MET 1 40.589 27.533 15.638 673 2HB MET 1 HB1 MET 1 42.143 28.029 14.970 674 1HG MET 1 HG2 MET 1 41.942 29.281 16.981 675 2HG MET 1 HG1 MET 1 41.486 30.428 15.721 676 1HE MET 1 HE1 MET 1 39.148 31.599 18.415 677 2HE MET 1 HE2 MET 1 40.702 31.750 17.601 678 3HE MET 1 HE3 MET 1 40.541 30.668 18.982 679 H SER 2 HN SER 2 42.269 27.787 12.508 680 HA SER 2 HA SER 2 42.449 26.107 10.957 681 1HB SER 2 HB2 SER 2 40.012 24.896 12.283 682 2HB SER 2 HB1 SER 2 41.272 24.062 11.385 683 HG SER 2 HG SER 2 41.357 24.122 13.809 684 H GLU 3 HN GLU 3 41.753 25.669 8.888 685 HA GLU 3 HA GLU 3 39.585 27.300 7.877 686 1HB GLU 3 HB2 GLU 3 41.456 25.340 6.526 687 2HB GLU 3 HB1 GLU 3 40.272 26.332 5.676 688 1HG GLU 3 HG2 GLU 3 41.344 28.373 6.496 689 2HG GLU 3 HG1 GLU 3 42.490 27.418 7.437 690 H LEU 4 HN LEU 4 38.789 25.261 9.726 691 HA LEU 4 HA LEU 4 37.263 23.569 9.973 692 1HB LEU 4 HB2 LEU 4 36.124 24.647 7.386 693 2HB LEU 4 HB1 LEU 4 35.254 23.828 8.684 694 HG LEU 4 HG LEU 4 36.632 26.523 8.896 695 1HD1 LEU 4 HD11 LEU 4 34.303 27.364 9.148 696 2HD1 LEU 4 HD12 LEU 4 33.705 25.741 8.804 697 3HD1 LEU 4 HD13 LEU 4 34.595 26.634 7.570 698 1HD2 LEU 4 HD21 LEU 4 36.765 25.584 11.071 699 2HD2 LEU 4 HD22 LEU 4 35.198 24.786 10.929 700 3HD2 LEU 4 HD23 LEU 4 35.286 26.537 11.127 701 H PHE 5 HN PHE 5 39.671 23.188 8.121 702 HA PHE 5 HA PHE 5 38.879 21.336 6.102 703 1HB PHE 5 HB2 PHE 5 41.233 20.895 5.836 704 2HB PHE 5 HB1 PHE 5 41.036 22.624 6.111 705 HD1 PHE 5 HD2 PHE 5 42.163 19.432 7.582 706 HD2 PHE 5 HD1 PHE 5 41.774 23.664 8.210 707 HE1 PHE 5 HE2 PHE 5 43.656 19.277 9.557 708 HE2 PHE 5 HE1 PHE 5 43.268 23.509 10.183 709 HZ PHE 5 HZ PHE 5 44.207 21.316 10.858 710 H SER 6 HN SER 6 39.882 21.055 9.462 711 HA SER 6 HA SER 6 39.987 18.154 9.390 712 1HB SER 6 HB2 SER 6 40.978 18.353 11.477 713 2HB SER 6 HB1 SER 6 41.206 20.011 10.958 714 HG SER 6 HG SER 6 40.170 19.656 13.071 715 H VAL 7 HN VAL 7 38.425 16.764 9.974 716 HA VAL 7 HA VAL 7 35.728 17.697 10.176 717 HB VAL 7 HB VAL 7 36.492 14.868 10.933 718 1HG1 VAL 7 HG11 VAL 7 34.314 15.974 9.157 719 2HG1 VAL 7 HG12 VAL 7 34.127 15.625 10.876 720 3HG1 VAL 7 HG13 VAL 7 34.476 14.324 9.745 721 1HG2 VAL 7 HG21 VAL 7 36.585 14.344 8.459 722 2HG2 VAL 7 HG22 VAL 7 37.972 15.245 9.064 723 3HG2 VAL 7 HG23 VAL 7 36.708 16.079 8.160 724 HA PRO 8 HA PRO 8 36.506 16.092 14.800 725 1HB PRO 8 HB2 PRO 8 39.199 17.439 15.026 726 2HB PRO 8 HB1 PRO 8 38.617 15.958 15.820 727 1HG PRO 8 HG2 PRO 8 40.286 15.793 13.771 728 2HG PRO 8 HG1 PRO 8 38.920 14.663 13.895 729 1HD PRO 8 HD2 PRO 8 39.199 17.087 12.153 730 2HD PRO 8 HD1 PRO 8 38.492 15.519 11.756 731 H TYR 9 HN TYR 9 37.137 19.037 13.136 732 HA TYR 9 HA TYR 9 36.945 20.863 15.306 733 1HB TYR 9 HB2 TYR 9 37.894 21.508 13.126 734 2HB TYR 9 HB1 TYR 9 36.324 21.256 12.364 735 HD1 TYR 9 HD1 TYR 9 38.250 23.388 14.687 736 HD2 TYR 9 HD2 TYR 9 34.478 22.824 12.712 737 HE1 TYR 9 HE1 TYR 9 37.576 25.689 15.318 738 HE2 TYR 9 HE2 TYR 9 33.803 25.125 13.343 739 HH TYR 9 HH TYR 9 34.321 26.913 14.593 740 H PHE 10 HN PHE 10 34.561 19.765 12.890 741 HA PHE 10 HA PHE 10 32.378 21.185 13.976 742 1HB PHE 10 HB2 PHE 10 32.825 19.321 11.812 743 2HB PHE 10 HB1 PHE 10 31.414 18.762 12.699 744 HD1 PHE 10 HD2 PHE 10 32.877 21.607 10.816 745 HD2 PHE 10 HD1 PHE 10 29.349 20.026 12.689 746 HE1 PHE 10 HE2 PHE 10 31.512 23.372 9.734 747 HE2 PHE 10 HE1 PHE 10 27.988 21.793 11.605 748 HZ PHE 10 HZ PHE 10 29.061 23.461 10.129 749 H ILE 11 HN ILE 11 33.618 17.931 14.600 750 HA ILE 11 HA ILE 11 31.505 17.085 16.265 751 HB ILE 11 HB ILE 11 34.416 16.267 16.129 752 1HG1 ILE 11 HG12 ILE 11 31.905 14.897 15.216 753 2HG1 ILE 11 HG11 ILE 11 32.904 15.862 14.151 754 1HG2 ILE 11 HG21 ILE 11 33.658 15.689 18.365 755 2HG2 ILE 11 HG22 ILE 11 33.589 14.223 17.405 756 3HG2 ILE 11 HG23 ILE 11 32.110 15.114 17.740 757 1HD1 ILE 11 HD11 ILE 11 34.829 14.377 14.676 758 2HD1 ILE 11 HD12 ILE 11 33.498 13.510 13.910 759 3HD1 ILE 11 HD13 ILE 11 33.755 13.376 15.648 760 H GLU 12 HN GLU 12 34.548 18.761 16.955 761 HA GLU 12 HA GLU 12 34.573 18.702 19.706 762 1HB GLU 12 HB2 GLU 12 36.308 19.735 18.210 763 2HB GLU 12 HB1 GLU 12 35.246 21.131 18.026 764 1HG GLU 12 HG2 GLU 12 35.287 21.513 20.440 765 2HG GLU 12 HG1 GLU 12 36.279 20.075 20.665 766 H ASN 13 HN ASN 13 32.372 20.377 17.613 767 HA ASN 13 HA ASN 13 31.410 22.270 19.550 768 1HB ASN 13 HB2 ASN 13 31.170 22.621 17.120 769 2HB ASN 13 HB1 ASN 13 30.086 21.241 17.039 770 1HD2 ASN 13 HD21 ASN 13 30.339 24.600 17.979 771 2HD2 ASN 13 HD22 ASN 13 28.708 24.803 18.401 772 H LEU 14 HN LEU 14 30.405 19.053 18.463 773 HA LEU 14 HA LEU 14 28.009 18.959 20.020 774 1HB LEU 14 HB2 LEU 14 29.668 16.797 18.693 775 2HB LEU 14 HB1 LEU 14 28.182 16.454 19.575 776 HG LEU 14 HG LEU 14 26.956 18.026 18.088 777 1HD1 LEU 14 HD11 LEU 14 28.431 19.582 17.235 778 2HD1 LEU 14 HD12 LEU 14 28.323 18.497 15.856 779 3HD1 LEU 14 HD13 LEU 14 29.702 18.405 16.928 780 1HD2 LEU 14 HD21 LEU 14 26.751 15.764 17.439 781 2HD2 LEU 14 HD22 LEU 14 28.425 15.661 16.883 782 3HD2 LEU 14 HD23 LEU 14 27.233 16.572 15.953 783 H LYS 15 HN LYS 15 31.336 17.888 20.539 784 HA LYS 15 HA LYS 15 30.967 16.411 22.862 785 1HB LYS 15 HB2 LYS 15 33.090 16.553 21.548 786 2HB LYS 15 HB1 LYS 15 33.350 18.160 22.224 787 1HG LYS 15 HG2 LYS 15 33.391 17.253 24.485 788 2HG LYS 15 HG1 LYS 15 32.993 15.644 23.881 789 1HD LYS 15 HD2 LYS 15 35.099 15.622 22.582 790 2HD LYS 15 HD1 LYS 15 35.505 17.211 23.233 791 1HE LYS 15 HE2 LYS 15 35.073 14.687 24.857 792 2HE LYS 15 HE1 LYS 15 36.629 15.450 24.528 793 1HZ LYS 15 HZ1 LYS 15 34.364 16.666 26.016 794 2HZ LYS 15 HZ2 LYS 15 35.832 17.444 25.661 795 3HZ LYS 15 HZ3 LYS 15 35.811 16.094 26.692 796 H GLN 16 HN GLN 16 31.094 19.870 22.329 797 HA GLN 16 HA GLN 16 31.439 20.676 25.036 798 1HB GLN 16 HB2 GLN 16 31.814 22.182 23.113 799 2HB GLN 16 HB1 GLN 16 30.084 22.148 22.770 800 1HG GLN 16 HG2 GLN 16 29.566 23.191 24.886 801 2HG GLN 16 HG1 GLN 16 31.233 23.039 25.433 802 1HE2 GLN 16 HE21 GLN 16 29.942 25.584 25.333 803 2HE2 GLN 16 HE22 GLN 16 30.683 26.515 24.122 804 H HIS 17 HN HIS 17 28.615 19.847 23.102 805 HA HIS 17 HA HIS 17 26.652 20.832 24.875 806 1HB HIS 17 HB2 HIS 17 26.501 18.476 22.982 807 2HB HIS 17 HB1 HIS 17 25.125 19.280 23.732 808 HD1 HIS 17 HD1 HIS 17 26.579 22.185 23.390 809 HD2 HIS 17 HD2 HIS 17 25.687 19.439 20.383 810 HE1 HIS 17 HE1 HIS 17 26.450 23.501 21.230 811 HE2 HIS 17 HE2 HIS 17 25.904 21.840 19.389 812 H ILE 18 HN ILE 18 27.976 17.534 24.527 813 HA ILE 18 HA ILE 18 26.597 16.544 26.855 814 HB ILE 18 HB ILE 18 27.836 14.496 26.476 815 1HG1 ILE 18 HG12 ILE 18 29.546 16.227 24.681 816 2HG1 ILE 18 HG11 ILE 18 30.079 15.315 26.083 817 1HG2 ILE 18 HG21 ILE 18 27.043 13.995 24.277 818 2HG2 ILE 18 HG22 ILE 18 27.278 15.653 23.721 819 3HG2 ILE 18 HG23 ILE 18 25.980 15.273 24.848 820 1HD1 ILE 18 HD11 ILE 18 30.776 13.979 24.292 821 2HD1 ILE 18 HD12 ILE 18 29.319 14.308 23.358 822 3HD1 ILE 18 HD13 ILE 18 29.244 13.233 24.757 823 H GLU 19 HN GLU 19 29.926 17.557 26.164 824 HA GLU 19 HA GLU 19 31.020 16.942 28.699 825 1HB GLU 19 HB2 GLU 19 32.383 17.382 26.665 826 2HB GLU 19 HB1 GLU 19 31.926 19.084 26.761 827 1HG GLU 19 HG2 GLU 19 32.995 19.303 28.929 828 2HG GLU 19 HG1 GLU 19 33.337 17.574 28.973 829 H MET 20 HN MET 20 29.053 19.543 27.569 830 HA MET 20 HA MET 20 29.128 20.773 30.263 831 1HB MET 20 HB2 MET 20 29.140 22.443 27.733 832 2HB MET 20 HB1 MET 20 29.353 22.982 29.394 833 1HG MET 20 HG2 MET 20 31.463 21.669 29.523 834 2HG MET 20 HG1 MET 20 31.266 21.228 27.827 835 1HE MET 20 HE1 MET 20 34.190 23.692 27.677 836 2HE MET 20 HE2 MET 20 33.470 22.339 26.807 837 3HE MET 20 HE3 MET 20 33.765 22.206 28.539 838 H ASN 21 HN ASN 21 27.465 22.965 29.141 839 HA ASN 21 HA ASN 21 25.070 21.839 28.077 840 1HB ASN 21 HB2 ASN 21 23.652 22.024 30.059 841 2HB ASN 21 HB1 ASN 21 24.952 20.871 30.352 842 1HD2 ASN 21 HD21 ASN 21 23.746 22.027 32.588 843 2HD2 ASN 21 HD22 ASN 21 24.802 23.148 33.301 844 H GLN 22 HN GLN 22 26.734 24.064 27.514 845 HA GLN 22 HA GLN 22 25.978 26.515 28.553 846 1HB GLN 22 HB2 GLN 22 27.775 26.211 26.889 847 2HB GLN 22 HB1 GLN 22 26.568 25.884 25.646 848 1HG GLN 22 HG2 GLN 22 26.454 28.463 27.244 849 2HG GLN 22 HG1 GLN 22 27.527 28.322 25.857 850 1HE2 GLN 22 HE21 GLN 22 26.314 27.374 23.799 851 2HE2 GLN 22 HE22 GLN 22 24.772 28.021 23.510 852 H SER 23 HN SER 23 24.351 24.572 26.085 853 HA SER 23 HA SER 23 21.778 25.547 26.705 854 1HB SER 23 HB2 SER 23 23.225 26.960 24.474 855 2HB SER 23 HB1 SER 23 21.478 26.763 24.393 856 HG SER 23 HG SER 23 21.249 28.159 25.952 857 H GLU 24 HN GLU 24 22.230 23.055 26.535 858 HA GLU 24 HA GLU 24 20.803 22.149 24.217 859 1HB GLU 24 HB2 GLU 24 23.344 22.429 23.547 860 2HB GLU 24 HB1 GLU 24 23.571 20.941 24.453 861 1HG GLU 24 HG2 GLU 24 23.164 20.228 22.206 862 2HG GLU 24 HG1 GLU 24 21.636 19.970 23.047 863 H ASP 25 HN ASP 25 22.405 19.499 24.694 864 HA ASP 25 HA ASP 25 21.536 18.708 27.356 865 1HB ASP 25 HB2 ASP 25 20.252 17.506 24.889 866 2HB ASP 25 HB1 ASP 25 20.008 16.964 26.550 867 H LYS 26 HN LYS 26 21.468 15.960 26.874 868 HA LYS 26 HA LYS 26 24.329 15.454 26.521 869 1HB LYS 26 HB2 LYS 26 22.998 14.498 28.416 870 2HB LYS 26 HB1 LYS 26 22.134 13.496 27.258 871 1HG LYS 26 HG2 LYS 26 24.312 12.534 26.513 872 2HG LYS 26 HG1 LYS 26 25.137 13.515 27.723 873 1HD LYS 26 HD2 LYS 26 23.801 12.409 29.502 874 2HD LYS 26 HD1 LYS 26 23.032 11.397 28.279 875 1HE LYS 26 HE2 LYS 26 26.012 11.497 28.821 876 2HE LYS 26 HE1 LYS 26 24.922 10.230 29.386 877 1HZ LYS 26 HZ1 LYS 26 25.425 10.950 26.549 878 2HZ LYS 26 HZ2 LYS 26 24.361 9.740 27.086 879 3HZ LYS 26 HZ3 LYS 26 26.032 9.582 27.347 880 H ILE 27 HN ILE 27 22.255 12.851 25.677 881 HA ILE 27 HA ILE 27 23.476 12.484 23.148 882 HB ILE 27 HB ILE 27 20.880 11.307 24.152 883 1HG1 ILE 27 HG12 ILE 27 22.689 10.936 25.763 884 2HG1 ILE 27 HG11 ILE 27 22.279 9.433 24.952 885 1HG2 ILE 27 HG21 ILE 27 21.554 9.429 22.621 886 2HG2 ILE 27 HG22 ILE 27 22.845 10.465 22.014 887 3HG2 ILE 27 HG23 ILE 27 21.161 10.931 21.786 888 1HD1 ILE 27 HD11 ILE 27 24.735 11.143 24.638 889 2HD1 ILE 27 HD12 ILE 27 24.255 10.080 23.316 890 3HD1 ILE 27 HD13 ILE 27 24.619 9.409 24.901 891 H HIS 28 HN HIS 28 20.371 13.863 24.141 892 HA HIS 28 HA HIS 28 19.285 14.169 21.552 893 1HB HIS 28 HB2 HIS 28 18.838 15.781 24.075 894 2HB HIS 28 HB1 HIS 28 17.859 15.929 22.618 895 HD1 HIS 28 HD1 HIS 28 16.688 13.593 21.819 896 HD2 HIS 28 HD2 HIS 28 18.033 13.732 25.762 897 HE1 HIS 28 HE1 HIS 28 15.529 11.699 23.039 898 HE2 HIS 28 HE2 HIS 28 16.339 11.771 25.444 899 H ALA 29 HN ALA 29 22.128 15.372 22.563 900 HA ALA 29 HA ALA 29 21.987 18.095 21.658 901 1HB ALA 29 HB1 ALA 29 23.679 17.375 23.277 902 2HB ALA 29 HB2 ALA 29 24.430 18.036 21.828 903 3HB ALA 29 HB3 ALA 29 24.377 16.294 22.074 904 H MET 30 HN MET 30 23.178 15.053 20.271 905 HA MET 30 HA MET 30 24.122 16.160 17.860 906 1HB MET 30 HB2 MET 30 24.101 13.883 17.021 907 2HB MET 30 HB1 MET 30 24.685 13.885 18.680 908 1HG MET 30 HG2 MET 30 23.139 12.134 18.823 909 2HG MET 30 HG1 MET 30 22.091 13.472 19.216 910 1HE MET 30 HE1 MET 30 19.652 11.360 17.262 911 2HE MET 30 HE2 MET 30 20.235 11.954 18.815 912 3HE MET 30 HE3 MET 30 21.034 10.583 18.049 913 H ASN 31 HN ASN 31 20.981 14.687 18.712 914 HA ASN 31 HA ASN 31 19.795 14.822 16.193 915 1HB ASN 31 HB2 ASN 31 18.729 13.663 18.045 916 2HB ASN 31 HB1 ASN 31 18.534 15.179 18.920 917 1HD2 ASN 31 HD21 ASN 31 17.047 16.824 17.901 918 2HD2 ASN 31 HD22 ASN 31 15.774 16.277 16.919 919 H SER 32 HN SER 32 19.604 17.246 18.812 920 HA SER 32 HA SER 32 18.183 19.167 17.304 921 1HB SER 32 HB2 SER 32 18.214 19.501 19.644 922 2HB SER 32 HB1 SER 32 19.962 19.304 19.725 923 HG SER 32 HG SER 32 18.913 21.359 18.141 924 H TYR 33 HN TYR 33 21.679 18.981 18.046 925 HA TYR 33 HA TYR 33 22.463 21.168 16.472 926 1HB TYR 33 HB2 TYR 33 23.933 20.162 18.141 927 2HB TYR 33 HB1 TYR 33 24.008 18.669 17.204 928 HD1 TYR 33 HD1 TYR 33 24.977 22.244 17.287 929 HD2 TYR 33 HD2 TYR 33 25.342 18.519 15.188 930 HE1 TYR 33 HE1 TYR 33 26.830 23.190 15.935 931 HE2 TYR 33 HE2 TYR 33 27.192 19.469 13.825 932 HH TYR 33 HH TYR 33 28.117 22.872 14.098 933 H TYR 34 HN TYR 34 22.404 17.686 15.703 934 HA TYR 34 HA TYR 34 23.378 17.835 13.082 935 1HB TYR 34 HB2 TYR 34 23.086 15.689 14.284 936 2HB TYR 34 HB1 TYR 34 21.335 15.892 14.212 937 HD1 TYR 34 HD1 TYR 34 20.156 15.907 12.008 938 HD2 TYR 34 HD2 TYR 34 24.306 14.865 12.374 939 HE1 TYR 34 HE1 TYR 34 20.096 14.878 9.754 940 HE2 TYR 34 HE2 TYR 34 24.249 13.842 10.115 941 HH TYR 34 HH TYR 34 21.222 13.491 8.337 942 H ARG 35 HN ARG 35 19.981 17.707 14.196 943 HA ARG 35 HA ARG 35 18.843 18.090 11.671 944 1HB ARG 35 HB2 ARG 35 17.584 17.250 13.585 945 2HB ARG 35 HB1 ARG 35 17.719 18.821 14.374 946 1HG ARG 35 HG2 ARG 35 16.627 18.976 11.587 947 2HG ARG 35 HG1 ARG 35 15.609 18.065 12.696 948 1HD ARG 35 HD2 ARG 35 16.659 20.843 13.286 949 2HD ARG 35 HD1 ARG 35 15.073 20.510 12.595 950 HE ARG 35 HE ARG 35 15.402 18.978 14.947 951 1HH1 ARG 35 HH21 ARG 35 15.040 22.239 13.850 952 2HH1 ARG 35 HH22 ARG 35 14.242 22.782 15.289 953 1HH2 ARG 35 HH11 ARG 35 14.349 19.678 16.833 954 2HH2 ARG 35 HH12 ARG 35 13.850 21.331 16.979 955 H SER 36 HN SER 36 20.075 20.320 14.064 956 HA SER 36 HA SER 36 18.923 22.685 12.954 957 1HB SER 36 HB2 SER 36 19.700 22.774 15.219 958 2HB SER 36 HB1 SER 36 21.308 22.247 14.741 959 HG SER 36 HG SER 36 21.762 24.246 14.353 960 H VAL 37 HN VAL 37 22.080 21.105 12.574 961 HA VAL 37 HA VAL 37 23.166 23.111 10.863 962 HB VAL 37 HB VAL 37 23.823 20.188 11.311 963 1HG1 VAL 37 HG11 VAL 37 24.599 20.477 9.090 964 2HG1 VAL 37 HG12 VAL 37 26.019 20.845 10.056 965 3HG1 VAL 37 HG13 VAL 37 25.068 22.152 9.371 966 1HG2 VAL 37 HG21 VAL 37 24.362 21.699 13.153 967 2HG2 VAL 37 HG22 VAL 37 25.217 22.780 12.054 968 3HG2 VAL 37 HG23 VAL 37 25.840 21.167 12.365 969 H VAL 38 HN VAL 38 22.120 19.803 9.981 970 HA VAL 38 HA VAL 38 22.148 20.081 7.237 971 HB VAL 38 HB VAL 38 20.509 18.275 7.144 972 1HG1 VAL 38 HG11 VAL 38 22.879 17.848 7.962 973 2HG1 VAL 38 HG12 VAL 38 21.697 16.646 8.453 974 3HG1 VAL 38 HG13 VAL 38 22.245 17.862 9.596 975 1HG2 VAL 38 HG21 VAL 38 19.928 19.185 9.969 976 2HG2 VAL 38 HG22 VAL 38 19.562 17.531 9.478 977 3HG2 VAL 38 HG23 VAL 38 18.790 18.885 8.659 978 H SER 39 HN SER 39 19.456 20.886 9.442 979 HA SER 39 HA SER 39 17.629 21.716 7.475 980 1HB SER 39 HB2 SER 39 16.947 21.340 9.787 981 2HB SER 39 HB1 SER 39 17.942 22.694 10.322 982 HG SER 39 HG SER 39 16.593 23.845 8.607 983 H THR 40 HN THR 40 20.165 23.479 9.208 984 HA THR 40 HA THR 40 19.519 26.035 8.120 985 HB THR 40 HB THR 40 22.136 25.015 9.259 986 HG1 THR 40 HG1 THR 40 19.758 25.629 10.342 987 1HG2 THR 40 HG21 THR 40 22.582 27.018 8.009 988 2HG2 THR 40 HG22 THR 40 22.461 27.503 9.700 989 3HG2 THR 40 HG23 THR 40 21.110 27.792 8.602 990 H LEU 41 HN LEU 41 21.999 23.616 7.295 991 HA LEU 41 HA LEU 41 23.081 25.049 5.107 992 1HB LEU 41 HB2 LEU 41 23.077 22.086 5.729 993 2HB LEU 41 HB1 LEU 41 24.053 22.833 4.465 994 HG LEU 41 HG LEU 41 24.191 23.525 7.420 995 1HD1 LEU 41 HD11 LEU 41 26.103 21.955 5.677 996 2HD1 LEU 41 HD12 LEU 41 25.037 21.263 6.894 997 3HD1 LEU 41 HD13 LEU 41 26.345 22.344 7.377 998 1HD2 LEU 41 HD21 LEU 41 26.480 24.548 6.459 999 2HD2 LEU 41 HD22 LEU 41 24.989 25.476 6.414 1000 3HD2 LEU 41 HD23 LEU 41 25.544 24.639 4.966 1001 H VAL 42 HN VAL 42 20.534 22.631 5.351 1002 HA VAL 42 HA VAL 42 20.076 22.651 2.469 1003 HB VAL 42 HB VAL 42 18.536 21.301 4.712 1004 1HG1 VAL 42 HG11 VAL 42 17.970 19.808 2.515 1005 2HG1 VAL 42 HG12 VAL 42 18.214 21.357 1.721 1006 3HG1 VAL 42 HG13 VAL 42 16.981 21.190 2.967 1007 1HG2 VAL 42 HG21 VAL 42 20.970 20.608 4.380 1008 2HG2 VAL 42 HG22 VAL 42 20.523 20.097 2.757 1009 3HG2 VAL 42 HG23 VAL 42 19.792 19.316 4.156 1010 H GLN 43 HN GLN 43 19.677 25.062 4.340 1011 HA GLN 43 HA GLN 43 17.314 26.033 3.029 1012 1HB GLN 43 HB2 GLN 43 16.582 24.648 5.154 1013 2HB GLN 43 HB1 GLN 43 17.123 26.069 6.044 1014 1HG GLN 43 HG2 GLN 43 14.788 26.407 5.633 1015 2HG GLN 43 HG1 GLN 43 15.627 27.454 4.494 1016 1HE2 GLN 43 HE21 GLN 43 14.292 27.416 2.649 1017 2HE2 GLN 43 HE22 GLN 43 13.775 25.993 1.881 1018 H ASP 44 HN ASP 44 20.240 26.598 3.583 1019 HA ASP 44 HA ASP 44 19.945 29.461 3.765 1020 1HB ASP 44 HB2 ASP 44 20.004 28.514 6.209 1021 2HB ASP 44 HB1 ASP 44 21.719 28.259 5.907 1022 H GLN 45 HN GLN 45 21.192 27.013 2.270 1023 HA GLN 45 HA GLN 45 23.349 28.452 1.114 1024 1HB GLN 45 HB2 GLN 45 24.343 27.673 3.359 1025 2HB GLN 45 HB1 GLN 45 24.246 26.038 2.720 1026 1HG GLN 45 HG2 GLN 45 25.651 26.697 0.808 1027 2HG GLN 45 HG1 GLN 45 25.725 28.344 1.418 1028 1HE2 GLN 45 HE21 GLN 45 25.719 26.319 4.094 1029 2HE2 GLN 45 HE22 GLN 45 27.395 26.188 4.325 1030 H LEU 46 HN LEU 46 21.304 27.432 -0.182 1031 HA LEU 46 HA LEU 46 21.858 24.719 -1.118 1032 1HB LEU 46 HB2 LEU 46 19.749 26.761 -1.835 1033 2HB LEU 46 HB1 LEU 46 19.838 25.157 -2.561 1034 HG LEU 46 HG LEU 46 19.747 25.492 0.457 1035 1HD1 LEU 46 HD11 LEU 46 17.791 26.679 -0.379 1036 2HD1 LEU 46 HD12 LEU 46 17.278 25.134 0.300 1037 3HD1 LEU 46 HD13 LEU 46 17.391 25.336 -1.449 1038 1HD2 LEU 46 HD21 LEU 46 18.649 23.216 0.275 1039 2HD2 LEU 46 HD22 LEU 46 20.311 23.237 -0.287 1040 3HD2 LEU 46 HD23 LEU 46 18.989 23.241 -1.453 1041 H THR 47 HN THR 47 24.025 26.263 -1.635 1042 HA THR 47 HA THR 47 23.957 27.489 -4.216 1043 HB THR 47 HB THR 47 25.638 28.158 -2.602 1044 HG1 THR 47 HG1 THR 47 26.182 28.141 -4.841 1045 1HG2 THR 47 HG21 THR 47 26.662 25.317 -2.817 1046 2HG2 THR 47 HG22 THR 47 25.808 25.978 -1.432 1047 3HG2 THR 47 HG23 THR 47 27.390 26.613 -1.874 1048 H LYS 48 HN LYS 48 24.434 24.267 -3.032 1049 HA LYS 48 HA LYS 48 24.156 23.108 -5.601 1050 1HB LYS 48 HB2 LYS 48 26.569 23.975 -5.667 1051 2HB LYS 48 HB1 LYS 48 26.921 22.796 -4.423 1052 1HG LYS 48 HG2 LYS 48 27.432 21.531 -6.310 1053 2HG LYS 48 HG1 LYS 48 25.739 21.097 -6.105 1054 1HD LYS 48 HD2 LYS 48 25.133 22.926 -7.718 1055 2HD LYS 48 HD1 LYS 48 26.854 23.213 -7.967 1056 1HE LYS 48 HE2 LYS 48 27.146 20.921 -8.764 1057 2HE LYS 48 HE1 LYS 48 25.440 20.583 -8.458 1058 1HZ LYS 48 HZ1 LYS 48 26.574 22.510 -10.403 1059 2HZ LYS 48 HZ2 LYS 48 24.927 22.455 -9.991 1060 3HZ LYS 48 HZ3 LYS 48 25.662 21.120 -10.742 1061 H ASN 49 HN ASN 49 23.435 21.061 -5.375 1062 HA ASN 49 HA ASN 49 22.765 19.959 -2.925 1063 1HB ASN 49 HB2 ASN 49 23.395 18.422 -5.444 1064 2HB ASN 49 HB1 ASN 49 22.403 17.870 -4.094 1065 1HD2 ASN 49 HD21 ASN 49 21.234 20.645 -3.751 1066 2HD2 ASN 49 HD22 ASN 49 20.112 20.797 -5.015 1067 H ALA 50 HN ALA 50 25.671 19.375 -4.904 1068 HA ALA 50 HA ALA 50 26.791 17.360 -3.256 1069 1HB ALA 50 HB1 ALA 50 28.233 19.365 -5.006 1070 2HB ALA 50 HB2 ALA 50 27.587 17.815 -5.547 1071 3HB ALA 50 HB3 ALA 50 28.910 17.861 -4.381 1072 H VAL 51 HN VAL 51 27.295 20.882 -3.310 1073 HA VAL 51 HA VAL 51 29.259 21.098 -1.337 1074 HB VAL 51 HB VAL 51 26.984 22.923 -2.121 1075 1HG1 VAL 51 HG11 VAL 51 27.228 23.577 0.145 1076 2HG1 VAL 51 HG12 VAL 51 28.254 24.707 -0.734 1077 3HG1 VAL 51 HG13 VAL 51 28.976 23.341 0.116 1078 1HG2 VAL 51 HG21 VAL 51 29.108 22.494 -3.562 1079 2HG2 VAL 51 HG22 VAL 51 29.969 23.415 -2.332 1080 3HG2 VAL 51 HG23 VAL 51 28.674 24.173 -3.252 1081 H VAL 52 HN VAL 52 25.728 20.912 -0.918 1082 HA VAL 52 HA VAL 52 25.938 21.025 1.963 1083 HB VAL 52 HB VAL 52 23.498 20.527 1.915 1084 1HG1 VAL 52 HG11 VAL 52 22.864 22.639 0.797 1085 2HG1 VAL 52 HG12 VAL 52 24.438 22.688 0.004 1086 3HG1 VAL 52 HG13 VAL 52 24.328 22.847 1.757 1087 1HG2 VAL 52 HG21 VAL 52 23.422 19.136 -0.107 1088 2HG2 VAL 52 HG22 VAL 52 23.966 20.512 -1.055 1089 3HG2 VAL 52 HG23 VAL 52 22.382 20.544 -0.310 1090 H LEU 53 HN LEU 53 25.467 18.529 -0.486 1091 HA LEU 53 HA LEU 53 24.823 16.405 1.187 1092 1HB LEU 53 HB2 LEU 53 25.091 16.572 -1.475 1093 2HB LEU 53 HB1 LEU 53 26.656 15.876 -1.152 1094 HG LEU 53 HG LEU 53 25.088 14.104 -1.621 1095 1HD1 LEU 53 HD11 LEU 53 25.466 12.734 0.285 1096 2HD1 LEU 53 HD12 LEU 53 25.430 14.113 1.379 1097 3HD1 LEU 53 HD13 LEU 53 26.798 13.891 0.286 1098 1HD2 LEU 53 HD21 LEU 53 23.109 15.732 -0.567 1099 2HD2 LEU 53 HD22 LEU 53 23.314 14.576 0.743 1100 3HD2 LEU 53 HD23 LEU 53 22.914 14.012 -0.876 1101 H LYS 54 HN LYS 54 28.070 17.188 -0.066 1102 HA LYS 54 HA LYS 54 29.492 15.328 1.442 1103 1HB LYS 54 HB2 LYS 54 31.448 16.645 0.944 1104 2HB LYS 54 HB1 LYS 54 30.385 16.694 -0.463 1105 1HG LYS 54 HG2 LYS 54 29.451 18.873 0.489 1106 2HG LYS 54 HG1 LYS 54 30.788 18.852 1.627 1107 1HD LYS 54 HD2 LYS 54 31.069 18.824 -1.390 1108 2HD LYS 54 HD1 LYS 54 31.282 20.238 -0.362 1109 1HE LYS 54 HE2 LYS 54 33.063 18.876 0.893 1110 2HE LYS 54 HE1 LYS 54 32.990 17.750 -0.465 1111 1HZ LYS 54 HZ1 LYS 54 34.671 19.256 -0.993 1112 2HZ LYS 54 HZ2 LYS 54 33.763 20.601 -0.488 1113 3HZ LYS 54 HZ3 LYS 54 33.340 19.770 -1.909 1114 H ARG 55 HN ARG 55 28.406 18.582 2.263 1115 HA ARG 55 HA ARG 55 29.807 18.832 4.702 1116 1HB ARG 55 HB2 ARG 55 27.287 20.107 3.647 1117 2HB ARG 55 HB1 ARG 55 27.942 20.532 5.216 1118 1HG ARG 55 HG2 ARG 55 29.746 20.640 2.789 1119 2HG ARG 55 HG1 ARG 55 28.618 21.958 3.083 1120 1HD ARG 55 HD2 ARG 55 29.574 22.386 5.252 1121 2HD ARG 55 HD1 ARG 55 30.600 20.963 5.156 1122 HE ARG 55 HE ARG 55 31.030 23.521 3.839 1123 1HH1 ARG 55 HH21 ARG 55 31.742 20.137 3.945 1124 2HH1 ARG 55 HH22 ARG 55 33.264 20.292 3.133 1125 1HH2 ARG 55 HH11 ARG 55 33.027 23.733 2.782 1126 2HH2 ARG 55 HH12 ARG 55 33.991 22.328 2.474 1127 H ILE 56 HN ILE 56 26.600 17.547 3.914 1128 HA ILE 56 HA ILE 56 25.782 17.117 6.594 1129 HB ILE 56 HB ILE 56 24.958 15.815 3.986 1130 1HG1 ILE 56 HG12 ILE 56 23.450 17.814 5.702 1131 2HG1 ILE 56 HG11 ILE 56 24.506 18.310 4.402 1132 1HG2 ILE 56 HG21 ILE 56 24.355 14.234 5.682 1133 2HG2 ILE 56 HG22 ILE 56 22.887 15.144 5.352 1134 3HG2 ILE 56 HG23 ILE 56 23.842 15.506 6.792 1135 1HD1 ILE 56 HD11 ILE 56 22.145 16.454 4.116 1136 2HD1 ILE 56 HD12 ILE 56 23.200 16.983 2.812 1137 3HD1 ILE 56 HD13 ILE 56 22.172 18.151 3.638 1138 H GLN 57 HN GLN 57 27.246 14.943 4.171 1139 HA GLN 57 HA GLN 57 27.313 12.585 5.597 1140 1HB GLN 57 HB2 GLN 57 29.382 13.739 3.706 1141 2HB GLN 57 HB1 GLN 57 29.410 12.074 4.285 1142 1HG GLN 57 HG2 GLN 57 27.211 11.660 3.312 1143 2HG GLN 57 HG1 GLN 57 27.093 13.344 2.819 1144 1HE2 GLN 57 HE21 GLN 57 27.242 10.751 1.171 1145 2HE2 GLN 57 HE22 GLN 57 28.509 11.035 0.078 1146 H HIS 58 HN HIS 58 29.287 15.452 5.994 1147 HA HIS 58 HA HIS 58 31.265 14.263 7.682 1148 1HB HIS 58 HB2 HIS 58 30.439 17.168 7.489 1149 2HB HIS 58 HB1 HIS 58 31.937 16.545 8.171 1150 HD1 HIS 58 HD1 HIS 58 32.132 18.461 5.790 1151 HD2 HIS 58 HD2 HIS 58 31.910 14.319 5.369 1152 HE1 HIS 58 HE1 HIS 58 33.118 17.919 3.522 1153 HE2 HIS 58 HE2 HIS 58 32.990 15.397 3.250 1154 H LEU 59 HN LEU 59 28.087 15.629 8.160 1155 HA LEU 59 HA LEU 59 28.367 15.840 11.019 1156 1HB LEU 59 HB2 LEU 59 26.472 16.722 9.044 1157 2HB LEU 59 HB1 LEU 59 25.582 15.823 10.263 1158 HG LEU 59 HG LEU 59 25.706 18.201 10.854 1159 1HD1 LEU 59 HD11 LEU 59 25.803 17.659 13.037 1160 2HD1 LEU 59 HD12 LEU 59 27.514 17.255 12.972 1161 3HD1 LEU 59 HD13 LEU 59 26.309 16.046 12.560 1162 1HD2 LEU 59 HD21 LEU 59 28.171 18.274 9.702 1163 2HD2 LEU 59 HD22 LEU 59 28.656 18.116 11.393 1164 3HD2 LEU 59 HD23 LEU 59 27.640 19.452 10.894 1165 H ASP 60 HN ASP 60 27.412 13.387 8.790 1166 HA ASP 60 HA ASP 60 25.842 11.798 10.512 1167 1HB ASP 60 HB2 ASP 60 27.621 11.059 8.176 1168 2HB ASP 60 HB1 ASP 60 26.522 9.929 8.966 1169 H GLU 61 HN GLU 61 29.312 11.530 9.705 1170 HA GLU 61 HA GLU 61 29.888 9.489 11.568 1171 1HB GLU 61 HB2 GLU 61 32.223 10.053 11.205 1172 2HB GLU 61 HB1 GLU 61 31.359 10.110 9.669 1173 1HG GLU 61 HG2 GLU 61 31.098 12.595 10.012 1174 2HG GLU 61 HG1 GLU 61 32.191 12.487 11.398 1175 H ALA 62 HN ALA 62 29.527 12.932 11.913 1176 HA ALA 62 HA ALA 62 30.923 13.153 14.390 1177 1HB ALA 62 HB1 ALA 62 29.713 15.365 14.551 1178 2HB ALA 62 HB2 ALA 62 28.872 14.926 13.074 1179 3HB ALA 62 HB3 ALA 62 30.619 15.145 13.051 1180 H TYR 63 HN TYR 63 27.471 13.080 13.557 1181 HA TYR 63 HA TYR 63 26.443 13.210 16.108 1182 1HB TYR 63 HB2 TYR 63 24.561 13.163 14.802 1183 2HB TYR 63 HB1 TYR 63 25.473 12.487 13.459 1184 HD1 TYR 63 HD2 TYR 63 24.024 11.458 16.760 1185 HD2 TYR 63 HD1 TYR 63 24.923 10.290 12.736 1186 HE1 TYR 63 HE2 TYR 63 22.913 9.278 17.155 1187 HE2 TYR 63 HE1 TYR 63 23.833 8.100 13.127 1188 HH TYR 63 HH TYR 63 22.018 7.199 14.736 1189 H ASN 64 HN ASN 64 27.507 10.371 14.258 1190 HA ASN 64 HA ASN 64 26.781 8.429 16.184 1191 1HB ASN 64 HB2 ASN 64 27.204 7.921 13.793 1192 2HB ASN 64 HB1 ASN 64 28.917 8.256 14.047 1193 1HD2 ASN 64 HD21 ASN 64 29.777 6.138 13.836 1194 2HD2 ASN 64 HD22 ASN 64 29.324 4.843 14.834 1195 H LYS 65 HN LYS 65 29.580 10.454 15.723 1196 HA LYS 65 HA LYS 65 31.363 9.055 17.378 1197 1HB LYS 65 HB2 LYS 65 31.863 10.991 15.753 1198 2HB LYS 65 HB1 LYS 65 31.375 12.057 17.063 1199 1HG LYS 65 HG2 LYS 65 33.674 11.890 17.509 1200 2HG LYS 65 HG1 LYS 65 33.085 10.560 18.491 1201 1HD LYS 65 HD2 LYS 65 33.558 9.004 16.584 1202 2HD LYS 65 HD1 LYS 65 34.225 10.364 15.684 1203 1HE LYS 65 HE2 LYS 65 36.036 9.152 16.775 1204 2HE LYS 65 HE1 LYS 65 35.855 10.735 17.532 1205 1HZ LYS 65 HZ1 LYS 65 36.067 8.829 19.107 1206 2HZ LYS 65 HZ2 LYS 65 34.555 8.277 18.560 1207 3HZ LYS 65 HZ3 LYS 65 34.682 9.784 19.336 1208 H VAL 66 HN VAL 66 28.780 11.306 18.049 1209 HA VAL 66 HA VAL 66 29.523 12.008 20.684 1210 HB VAL 66 HB VAL 66 26.750 11.868 19.428 1211 1HG1 VAL 66 HG11 VAL 66 26.488 11.922 21.819 1212 2HG1 VAL 66 HG12 VAL 66 26.219 13.562 21.234 1213 3HG1 VAL 66 HG13 VAL 66 27.754 13.135 21.989 1214 1HG2 VAL 66 HG21 VAL 66 28.188 13.373 18.204 1215 2HG2 VAL 66 HG22 VAL 66 28.810 14.080 19.697 1216 3HG2 VAL 66 HG23 VAL 66 27.130 14.341 19.230 1217 H LYS 67 HN LYS 67 27.157 9.604 19.541 1218 HA LYS 67 HA LYS 67 26.718 8.495 22.134 1219 1HB LYS 67 HB2 LYS 67 26.235 7.230 19.440 1220 2HB LYS 67 HB1 LYS 67 25.510 6.777 20.977 1221 1HG LYS 67 HG2 LYS 67 24.912 9.496 20.887 1222 2HG LYS 67 HG1 LYS 67 24.854 9.066 19.183 1223 1HD LYS 67 HD2 LYS 67 23.337 7.689 21.409 1224 2HD LYS 67 HD1 LYS 67 22.652 8.862 20.283 1225 1HE LYS 67 HE2 LYS 67 23.393 7.286 18.397 1226 2HE LYS 67 HE1 LYS 67 23.688 6.084 19.649 1227 1HZ LYS 67 HZ1 LYS 67 21.102 7.472 19.575 1228 2HZ LYS 67 HZ2 LYS 67 21.478 5.920 20.154 1229 3HZ LYS 67 HZ3 LYS 67 21.394 6.208 18.482 1230 H ARG 68 HN ARG 68 28.592 7.442 19.335 1231 HA ARG 68 HA ARG 68 29.516 4.984 20.086 1232 1HB ARG 68 HB2 ARG 68 30.877 7.263 18.684 1233 2HB ARG 68 HB1 ARG 68 31.730 5.750 18.914 1234 1HG ARG 68 HG2 ARG 68 28.959 5.674 17.706 1235 2HG ARG 68 HG1 ARG 68 30.304 6.179 16.688 1236 1HD ARG 68 HD2 ARG 68 30.269 3.601 18.282 1237 2HD ARG 68 HD1 ARG 68 29.819 3.720 16.583 1238 HE ARG 68 HE ARG 68 32.367 4.887 16.934 1239 1HH1 ARG 68 HH21 ARG 68 30.737 1.837 17.060 1240 2HH1 ARG 68 HH22 ARG 68 32.130 0.917 16.596 1241 1HH2 ARG 68 HH11 ARG 68 34.196 3.688 16.320 1242 2HH2 ARG 68 HH12 ARG 68 34.088 1.965 16.176 1243 H GLY 69 HN GLY 69 30.573 8.118 21.281 1244 1HA GLY 69 HA2 GLY 69 32.741 7.081 22.844 1245 2HA GLY 69 HA1 GLY 69 32.074 8.711 22.891 1246 H GLU 70 HN GLU 70 29.579 8.537 23.643 1247 HA GLU 70 HA GLU 70 29.561 8.211 26.360 1248 1HB GLU 70 HB2 GLU 70 27.281 7.831 24.412 1249 2HB GLU 70 HB1 GLU 70 27.078 8.037 26.151 1250 1HG GLU 70 HG2 GLU 70 28.603 10.038 24.461 1251 2HG GLU 70 HG1 GLU 70 26.874 10.164 24.707 1252 H SER 71 HN SER 71 27.470 6.001 24.585 1253 HA SER 71 HA SER 71 26.980 3.780 24.952 1254 1HB SER 71 HB2 SER 71 29.171 3.616 23.775 1255 2HB SER 71 HB1 SER 71 29.977 3.600 25.341 1256 HG SER 71 HG SER 71 29.512 1.565 25.461 1257 H LYS 72 HN LYS 72 28.570 1.980 26.622 1258 HA LYS 72 HA LYS 72 27.162 2.165 29.024 1259 1HB LYS 72 HB2 LYS 72 29.785 0.824 28.365 1260 2HB LYS 72 HB1 LYS 72 28.882 0.539 29.854 1261 1HG LYS 72 HG2 LYS 72 27.430 0.259 27.211 1262 2HG LYS 72 HG1 LYS 72 28.522 -1.035 27.701 1263 1HD LYS 72 HD2 LYS 72 26.484 -0.026 29.707 1264 2HD LYS 72 HD1 LYS 72 25.958 -1.116 28.427 1265 1HE LYS 72 HE2 LYS 72 27.577 -2.796 29.119 1266 2HE LYS 72 HE1 LYS 72 28.255 -1.703 30.322 1267 1HZ LYS 72 HZ1 LYS 72 26.748 -2.428 31.745 1268 2HZ LYS 72 HZ2 LYS 72 26.037 -3.414 30.557 1269 3HZ LYS 72 HZ3 LYS 72 25.514 -1.810 30.758 1270 H LEU 73 HN LEU 73 30.693 2.566 28.754 1271 HA LEU 73 HA LEU 73 30.782 5.083 29.989 1272 1HB LEU 73 HB2 LEU 73 30.148 3.122 31.863 1273 2HB LEU 73 HB1 LEU 73 31.894 3.198 32.025 1274 HG LEU 73 HG LEU 73 30.029 5.587 32.174 1275 1HD1 LEU 73 HD11 LEU 73 29.817 3.981 34.075 1276 2HD1 LEU 73 HD12 LEU 73 30.470 5.544 34.568 1277 3HD1 LEU 73 HD13 LEU 73 31.546 4.159 34.375 1278 1HD2 LEU 73 HD21 LEU 73 33.022 5.251 32.581 1279 2HD2 LEU 73 HD22 LEU 73 32.129 6.678 33.107 1280 3HD2 LEU 73 HD23 LEU 73 32.215 6.277 31.397 1281 H GLU 74 HN GLU 74 32.693 5.959 29.515 1282 HA GLU 74 HA GLU 74 35.101 4.259 29.307 1283 1HB GLU 74 HB2 GLU 74 34.087 6.053 27.084 1284 2HB GLU 74 HB1 GLU 74 35.664 5.262 27.116 1285 1HG GLU 74 HG2 GLU 74 34.488 3.050 27.292 1286 2HG GLU 74 HG1 GLU 74 32.957 3.897 27.096 1287 H HIS 75 HN HIS 75 34.006 6.469 31.057 1288 HA HIS 75 HA HIS 75 35.862 8.686 30.550 1289 1HB HIS 75 HB2 HIS 75 33.534 9.118 31.334 1290 2HB HIS 75 HB1 HIS 75 33.913 8.277 32.837 1291 HD1 HIS 75 HD1 HIS 75 35.175 11.237 30.794 1292 HD2 HIS 75 HD2 HIS 75 35.117 9.903 34.743 1293 HE1 HIS 75 HE1 HIS 75 36.161 13.102 32.195 1294 HE2 HIS 75 HE2 HIS 75 36.132 12.304 34.604 1295 H HIS 76 HN HIS 76 37.886 8.521 31.221 1296 HA HIS 76 HA HIS 76 38.745 6.591 33.170 1297 1HB HIS 76 HB2 HIS 76 40.191 8.916 31.878 1298 2HB HIS 76 HB1 HIS 76 40.961 7.700 32.896 1299 HD1 HIS 76 HD1 HIS 76 40.811 5.170 31.999 1300 HD2 HIS 76 HD2 HIS 76 39.815 8.120 29.227 1301 HE1 HIS 76 HE1 HIS 76 40.877 4.064 29.721 1302 HE2 HIS 76 HE2 HIS 76 40.271 5.849 28.020 1303 H HIS 77 HN HIS 77 39.004 6.810 35.303 1304 HA HIS 77 HA HIS 77 38.041 9.182 36.633 1305 1HB HIS 77 HB2 HIS 77 39.374 6.706 37.756 1306 2HB HIS 77 HB1 HIS 77 38.544 7.947 38.695 1307 HD1 HIS 77 HD1 HIS 77 35.917 8.308 37.983 1308 HD2 HIS 77 HD2 HIS 77 37.690 4.714 36.832 1309 HE1 HIS 77 HE1 HIS 77 34.024 6.720 37.427 1310 HE2 HIS 77 HE2 HIS 77 35.088 4.525 36.723 1311 H HIS 78 HN HIS 78 39.208 10.592 37.938 1312 HA HIS 78 HA HIS 78 42.172 10.475 37.797 1313 1HB HIS 78 HB2 HIS 78 40.464 12.888 37.135 1314 2HB HIS 78 HB1 HIS 78 42.221 12.892 37.295 1315 HD1 HIS 78 HD1 HIS 78 39.483 12.021 34.957 1316 HD2 HIS 78 HD2 HIS 78 43.587 11.345 35.234 1317 HE1 HIS 78 HE1 HIS 78 40.228 11.198 32.681 1318 HE2 HIS 78 HE2 HIS 78 42.728 10.782 32.834 1319 H HIS 79 HN HIS 79 42.973 10.593 39.766 1320 HA HIS 79 HA HIS 79 41.433 11.191 42.063 1321 1HB HIS 79 HB2 HIS 79 43.430 9.752 42.127 1322 2HB HIS 79 HB1 HIS 79 44.445 11.138 41.734 1323 HD1 HIS 79 HD1 HIS 79 41.998 10.026 44.437 1324 HD2 HIS 79 HD2 HIS 79 45.229 12.614 43.948 1325 HE1 HIS 79 HE1 HIS 79 42.512 10.970 46.730 1326 HE2 HIS 79 HE2 HIS 79 44.480 12.550 46.449 1327 H HIS 80 HN HIS 80 43.903 13.067 40.315 1328 HA HIS 80 HA HIS 80 43.531 15.402 42.004 1329 1HB HIS 80 HB2 HIS 80 45.131 16.456 40.424 1330 2HB HIS 80 HB1 HIS 80 45.739 14.945 41.100 1331 HD1 HIS 80 HD1 HIS 80 43.453 15.666 38.120 1332 HD2 HIS 80 HD2 HIS 80 46.958 13.601 39.028 1333 HE1 HIS 80 HE1 HIS 80 44.167 14.496 35.991 1334 HE2 HIS 80 HE2 HIS 80 46.303 13.232 36.528 Start of MODEL 13 1 1H MET 1 HT1 MET 1 4.378 4.141 0.524 2 2H MET 1 HT2 MET 1 4.650 2.577 1.122 3 3H MET 1 HT3 MET 1 3.096 3.036 0.609 4 HA MET 1 HA MET 1 5.504 2.587 -1.054 5 1HB MET 1 HB2 MET 1 2.713 1.396 -1.027 6 2HB MET 1 HB1 MET 1 3.961 1.012 -2.212 7 1HG MET 1 HG2 MET 1 4.089 -0.722 -0.575 8 2HG MET 1 HG1 MET 1 5.442 0.348 -0.213 9 1HE MET 1 HE1 MET 1 5.000 -1.445 1.827 10 2HE MET 1 HE2 MET 1 3.294 -1.825 1.601 11 3HE MET 1 HE3 MET 1 3.844 -1.149 3.133 12 H SER 2 HN SER 2 4.277 2.433 -3.464 13 HA SER 2 HA SER 2 3.659 3.747 -5.241 14 1HB SER 2 HB2 SER 2 1.451 3.495 -4.076 15 2HB SER 2 HB1 SER 2 1.765 5.019 -3.249 16 HG SER 2 HG SER 2 1.011 5.922 -4.983 17 H GLU 3 HN GLU 3 3.359 6.120 -5.948 18 HA GLU 3 HA GLU 3 5.679 7.573 -5.131 19 1HB GLU 3 HB2 GLU 3 3.309 8.371 -6.840 20 2HB GLU 3 HB1 GLU 3 4.764 9.349 -6.635 21 1HG GLU 3 HG2 GLU 3 6.141 7.537 -7.545 22 2HG GLU 3 HG1 GLU 3 4.715 6.514 -7.707 23 H LEU 4 HN LEU 4 5.297 10.057 -4.746 24 HA LEU 4 HA LEU 4 4.068 10.254 -2.156 25 1HB LEU 4 HB2 LEU 4 5.329 12.333 -3.963 26 2HB LEU 4 HB1 LEU 4 4.764 12.647 -2.325 27 HG LEU 4 HG LEU 4 6.363 10.525 -1.777 28 1HD1 LEU 4 HD11 LEU 4 7.038 10.108 -4.073 29 2HD1 LEU 4 HD12 LEU 4 8.425 10.649 -3.131 30 3HD1 LEU 4 HD13 LEU 4 7.619 11.766 -4.232 31 1HD2 LEU 4 HD21 LEU 4 8.191 12.140 -1.275 32 2HD2 LEU 4 HD22 LEU 4 6.611 12.693 -0.723 33 3HD2 LEU 4 HD23 LEU 4 7.315 13.366 -2.194 34 H PHE 5 HN PHE 5 3.641 12.849 -4.423 35 HA PHE 5 HA PHE 5 1.718 14.121 -4.741 36 1HB PHE 5 HB2 PHE 5 1.807 12.602 -6.676 37 2HB PHE 5 HB1 PHE 5 0.838 11.422 -5.796 38 HD1 PHE 5 HD2 PHE 5 0.840 14.937 -7.060 39 HD2 PHE 5 HD1 PHE 5 -1.550 11.609 -5.764 40 HE1 PHE 5 HE2 PHE 5 -1.210 16.120 -7.800 41 HE2 PHE 5 HE1 PHE 5 -3.598 12.794 -6.504 42 HZ PHE 5 HZ PHE 5 -3.430 15.049 -7.521 43 H SER 6 HN SER 6 1.357 14.288 -2.401 44 HA SER 6 HA SER 6 -1.122 14.373 -1.519 45 1HB SER 6 HB2 SER 6 -1.849 12.142 -1.818 46 2HB SER 6 HB1 SER 6 -0.286 11.474 -1.342 47 HG SER 6 HG SER 6 -2.381 12.500 0.225 48 H VAL 7 HN VAL 7 0.543 15.925 -0.561 49 HA VAL 7 HA VAL 7 2.438 15.471 1.305 50 HB VAL 7 HB VAL 7 0.452 17.389 2.422 51 1HG1 VAL 7 HG11 VAL 7 2.870 17.349 2.996 52 2HG1 VAL 7 HG12 VAL 7 2.345 18.906 2.353 53 3HG1 VAL 7 HG13 VAL 7 3.234 17.782 1.328 54 1HG2 VAL 7 HG21 VAL 7 -0.257 17.586 0.112 55 2HG2 VAL 7 HG22 VAL 7 1.415 17.689 -0.438 56 3HG2 VAL 7 HG23 VAL 7 0.716 18.998 0.518 57 HA PRO 8 HA PRO 8 -0.778 14.551 4.881 58 1HB PRO 8 HB2 PRO 8 -3.017 13.151 3.842 59 2HB PRO 8 HB1 PRO 8 -3.019 14.832 4.415 60 1HG PRO 8 HG2 PRO 8 -2.711 13.788 1.617 61 2HG PRO 8 HG1 PRO 8 -3.656 15.177 2.202 62 1HD PRO 8 HD2 PRO 8 -1.347 15.634 1.017 63 2HD PRO 8 HD1 PRO 8 -1.730 16.517 2.495 64 H TYR 9 HN TYR 9 0.012 12.671 2.050 65 HA TYR 9 HA TYR 9 -0.308 10.092 3.126 66 1HB TYR 9 HB2 TYR 9 0.009 10.264 0.741 67 2HB TYR 9 HB1 TYR 9 1.523 11.139 0.934 68 HD1 TYR 9 HD1 TYR 9 0.388 8.033 2.746 69 HD2 TYR 9 HD2 TYR 9 3.121 9.734 -0.098 70 HE1 TYR 9 HE1 TYR 9 1.679 5.934 2.740 71 HE2 TYR 9 HE2 TYR 9 4.419 7.629 -0.115 72 HH TYR 9 HH TYR 9 4.624 5.593 0.769 73 H PHE 10 HN PHE 10 2.420 12.333 3.152 74 HA PHE 10 HA PHE 10 4.108 10.487 4.675 75 1HB PHE 10 HB2 PHE 10 4.434 13.104 3.279 76 2HB PHE 10 HB1 PHE 10 5.476 12.873 4.680 77 HD1 PHE 10 HD1 PHE 10 4.273 11.045 1.619 78 HD2 PHE 10 HD2 PHE 10 7.509 11.710 4.359 79 HE1 PHE 10 HE1 PHE 10 5.737 9.589 0.253 80 HE2 PHE 10 HE2 PHE 10 8.964 10.253 2.992 81 HZ PHE 10 HZ PHE 10 8.097 9.204 0.935 82 H ILE 11 HN ILE 11 2.660 13.698 5.230 83 HA ILE 11 HA ILE 11 3.439 14.034 7.876 84 HB ILE 11 HB ILE 11 0.935 14.960 6.451 85 1HG1 ILE 11 HG12 ILE 11 3.418 16.505 7.175 86 2HG1 ILE 11 HG11 ILE 11 3.250 15.697 5.622 87 1HG2 ILE 11 HG21 ILE 11 2.080 15.724 9.154 88 2HG2 ILE 11 HG22 ILE 11 0.457 15.114 8.818 89 3HG2 ILE 11 HG23 ILE 11 0.914 16.730 8.294 90 1HD1 ILE 11 HD11 ILE 11 2.597 18.097 5.507 91 2HD1 ILE 11 HD12 ILE 11 1.343 17.789 6.710 92 3HD1 ILE 11 HD13 ILE 11 1.247 17.022 5.128 93 H GLU 12 HN GLU 12 0.753 12.178 6.551 94 HA GLU 12 HA GLU 12 -0.773 11.699 8.822 95 1HB GLU 12 HB2 GLU 12 -0.191 10.115 6.346 96 2HB GLU 12 HB1 GLU 12 -0.913 9.221 7.671 97 1HG GLU 12 HG2 GLU 12 -2.863 10.568 7.700 98 2HG GLU 12 HG1 GLU 12 -2.126 11.842 6.743 99 H ASN 13 HN ASN 13 2.386 10.379 8.004 100 HA ASN 13 HA ASN 13 2.393 8.354 10.025 101 1HB ASN 13 HB2 ASN 13 3.864 8.378 7.977 102 2HB ASN 13 HB1 ASN 13 4.777 9.692 8.718 103 1HD2 ASN 13 HD21 ASN 13 5.782 6.948 8.124 104 2HD2 ASN 13 HD22 ASN 13 6.252 6.294 9.618 105 H LEU 14 HN LEU 14 3.700 11.653 9.798 106 HA LEU 14 HA LEU 14 4.967 11.749 12.307 107 1HB LEU 14 HB2 LEU 14 3.657 14.030 10.804 108 2HB LEU 14 HB1 LEU 14 4.931 14.158 12.012 109 HG LEU 14 HG LEU 14 5.203 12.681 9.373 110 1HD1 LEU 14 HD11 LEU 14 4.966 15.207 9.203 111 2HD1 LEU 14 HD12 LEU 14 6.467 14.536 8.566 112 3HD1 LEU 14 HD13 LEU 14 6.457 15.325 10.137 113 1HD2 LEU 14 HD21 LEU 14 7.051 13.163 11.721 114 2HD2 LEU 14 HD22 LEU 14 7.721 13.016 10.106 115 3HD2 LEU 14 HD23 LEU 14 6.788 11.691 10.785 116 H LYS 15 HN LYS 15 1.666 12.590 11.299 117 HA LYS 15 HA LYS 15 0.766 13.686 13.697 118 1HB LYS 15 HB2 LYS 15 -0.486 13.715 11.532 119 2HB LYS 15 HB1 LYS 15 -0.860 12.008 11.773 120 1HG LYS 15 HG2 LYS 15 -2.022 12.525 13.868 121 2HG LYS 15 HG1 LYS 15 -1.588 14.228 13.709 122 1HD LYS 15 HD2 LYS 15 -2.870 14.351 11.598 123 2HD LYS 15 HD1 LYS 15 -3.318 12.654 11.778 124 1HE LYS 15 HE2 LYS 15 -4.435 13.172 13.917 125 2HE LYS 15 HE1 LYS 15 -3.989 14.869 13.737 126 1HZ LYS 15 HZ1 LYS 15 -5.911 15.075 12.665 127 2HZ LYS 15 HZ2 LYS 15 -6.107 13.397 12.488 128 3HZ LYS 15 HZ3 LYS 15 -5.170 14.268 11.372 129 H GLN 16 HN GLN 16 0.999 10.321 12.631 130 HA GLN 16 HA GLN 16 -0.358 9.196 14.876 131 1HB GLN 16 HB2 GLN 16 -0.064 8.001 12.725 132 2HB GLN 16 HB1 GLN 16 1.670 7.903 13.037 133 1HG GLN 16 HG2 GLN 16 1.314 6.552 15.009 134 2HG GLN 16 HG1 GLN 16 -0.427 6.799 14.926 135 1HE2 GLN 16 HE21 GLN 16 0.697 4.168 14.905 136 2HE2 GLN 16 HE22 GLN 16 0.413 3.480 13.379 137 H HIS 17 HN HIS 17 2.981 10.063 14.213 138 HA HIS 17 HA HIS 17 4.155 8.666 16.383 139 1HB HIS 17 HB2 HIS 17 5.047 11.161 14.909 140 2HB HIS 17 HB1 HIS 17 6.028 10.352 16.126 141 HD1 HIS 17 HD1 HIS 17 4.947 7.439 15.140 142 HD2 HIS 17 HD2 HIS 17 6.874 10.330 12.836 143 HE1 HIS 17 HE1 HIS 17 6.010 6.213 13.195 144 HE2 HIS 17 HE2 HIS 17 7.189 7.962 11.781 145 H ILE 18 HN ILE 18 3.130 12.076 16.114 146 HA ILE 18 HA ILE 18 3.654 12.674 18.862 147 HB ILE 18 HB ILE 18 2.436 14.772 18.397 148 1HG1 ILE 18 HG12 ILE 18 1.800 13.390 15.775 149 2HG1 ILE 18 HG11 ILE 18 0.637 13.917 16.985 150 1HG2 ILE 18 HG21 ILE 18 3.986 15.632 16.772 151 2HG2 ILE 18 HG22 ILE 18 4.181 14.047 16.018 152 3HG2 ILE 18 HG23 ILE 18 4.833 14.350 17.624 153 1HD1 ILE 18 HD11 ILE 18 1.574 16.280 16.622 154 2HD1 ILE 18 HD12 ILE 18 0.565 15.608 15.342 155 3HD1 ILE 18 HD13 ILE 18 2.320 15.627 15.166 156 H GLU 19 HN GLU 19 0.728 11.818 17.053 157 HA GLU 19 HA GLU 19 -1.159 12.181 19.101 158 1HB GLU 19 HB2 GLU 19 -1.716 11.704 16.715 159 2HB GLU 19 HB1 GLU 19 -1.195 10.040 16.955 160 1HG GLU 19 HG2 GLU 19 -3.592 10.092 17.179 161 2HG GLU 19 HG1 GLU 19 -2.939 9.860 18.795 162 H MET 20 HN MET 20 0.585 9.205 18.170 163 HA MET 20 HA MET 20 0.006 8.080 20.865 164 1HB MET 20 HB2 MET 20 0.547 6.631 18.258 165 2HB MET 20 HB1 MET 20 0.249 5.870 19.820 166 1HG MET 20 HG2 MET 20 -1.978 7.183 19.846 167 2HG MET 20 HG1 MET 20 -1.680 7.478 18.132 168 1HE MET 20 HE1 MET 20 -2.173 5.934 16.302 169 2HE MET 20 HE2 MET 20 -1.998 4.184 16.385 170 3HE MET 20 HE3 MET 20 -0.608 5.216 16.712 171 H ASN 21 HN ASN 21 2.081 6.039 19.474 172 HA ASN 21 HA ASN 21 4.590 7.383 19.703 173 1HB ASN 21 HB2 ASN 21 3.943 7.372 22.093 174 2HB ASN 21 HB1 ASN 21 3.790 5.617 22.029 175 1HD2 ASN 21 HD21 ASN 21 6.271 8.031 20.964 176 2HD2 ASN 21 HD22 ASN 21 7.582 7.171 21.617 177 H GLN 22 HN GLN 22 4.010 5.979 17.642 178 HA GLN 22 HA GLN 22 4.412 3.146 17.860 179 1HB GLN 22 HB2 GLN 22 3.217 4.442 16.026 180 2HB GLN 22 HB1 GLN 22 4.805 4.805 15.376 181 1HG GLN 22 HG2 GLN 22 4.109 2.825 14.220 182 2HG GLN 22 HG1 GLN 22 5.243 2.258 15.443 183 1HE2 GLN 22 HE21 GLN 22 1.779 2.497 14.653 184 2HE2 GLN 22 HE22 GLN 22 1.277 1.299 15.745 185 H SER 23 HN SER 23 6.407 4.129 19.291 186 HA SER 23 HA SER 23 8.637 3.729 19.628 187 1HB SER 23 HB2 SER 23 9.830 2.353 18.168 188 2HB SER 23 HB1 SER 23 8.185 1.984 17.662 189 HG SER 23 HG SER 23 8.938 2.586 15.784 190 H GLU 24 HN GLU 24 7.720 6.266 19.281 191 HA GLU 24 HA GLU 24 10.070 7.582 18.132 192 1HB GLU 24 HB2 GLU 24 7.986 7.349 16.486 193 2HB GLU 24 HB1 GLU 24 7.371 8.719 17.404 194 1HG GLU 24 HG2 GLU 24 8.591 9.720 15.607 195 2HG GLU 24 HG1 GLU 24 9.675 9.825 16.994 196 H ASP 25 HN ASP 25 8.415 10.128 18.297 197 HA ASP 25 HA ASP 25 7.947 10.440 21.171 198 1HB ASP 25 HB2 ASP 25 10.165 11.852 19.675 199 2HB ASP 25 HB1 ASP 25 9.599 12.321 21.284 200 H LYS 26 HN LYS 26 7.926 13.123 21.367 201 HA LYS 26 HA LYS 26 5.577 13.832 19.820 202 1HB LYS 26 HB2 LYS 26 5.847 14.427 22.225 203 2HB LYS 26 HB1 LYS 26 7.148 15.526 21.785 204 1HG LYS 26 HG2 LYS 26 5.583 16.778 20.317 205 2HG LYS 26 HG1 LYS 26 4.285 15.666 20.763 206 1HD LYS 26 HD2 LYS 26 4.564 16.326 23.139 207 2HD LYS 26 HD1 LYS 26 5.833 17.456 22.666 208 1HE LYS 26 HE2 LYS 26 4.244 18.691 21.265 209 2HE LYS 26 HE1 LYS 26 2.968 17.548 21.684 210 1HZ LYS 26 HZ1 LYS 26 4.460 19.064 23.740 211 2HZ LYS 26 HZ2 LYS 26 2.983 18.241 23.903 212 3HZ LYS 26 HZ3 LYS 26 3.061 19.681 23.007 213 H ILE 27 HN ILE 27 7.808 16.409 20.435 214 HA ILE 27 HA ILE 27 7.738 17.304 17.758 215 HB ILE 27 HB ILE 27 8.157 18.721 19.816 216 1HG1 ILE 27 HG12 ILE 27 9.851 20.189 18.671 217 2HG1 ILE 27 HG11 ILE 27 10.136 18.896 17.513 218 1HG2 ILE 27 HG21 ILE 27 11.028 17.782 19.552 219 2HG2 ILE 27 HG22 ILE 27 9.911 17.097 20.732 220 3HG2 ILE 27 HG23 ILE 27 10.332 18.808 20.805 221 1HD1 ILE 27 HD11 ILE 27 8.343 20.882 17.099 222 2HD1 ILE 27 HD12 ILE 27 7.279 19.716 17.860 223 3HD1 ILE 27 HD13 ILE 27 8.168 19.281 16.400 224 H HIS 28 HN HIS 28 10.179 15.515 19.617 225 HA HIS 28 HA HIS 28 12.156 15.497 17.582 226 1HB HIS 28 HB2 HIS 28 11.695 13.583 19.876 227 2HB HIS 28 HB1 HIS 28 13.130 13.586 18.856 228 HD1 HIS 28 HD1 HIS 28 14.313 16.134 18.755 229 HD2 HIS 28 HD2 HIS 28 11.963 15.198 22.067 230 HE1 HIS 28 HE1 HIS 28 14.984 17.748 20.588 231 HE2 HIS 28 HE2 HIS 28 13.559 17.190 22.614 232 H ALA 29 HN ALA 29 9.296 14.655 16.905 233 HA ALA 29 HA ALA 29 9.541 11.931 15.968 234 1HB ALA 29 HB1 ALA 29 7.453 14.069 15.497 235 2HB ALA 29 HB2 ALA 29 7.341 12.693 16.592 236 3HB ALA 29 HB3 ALA 29 7.349 12.429 14.852 237 H MET 30 HN MET 30 9.484 15.168 14.524 238 HA MET 30 HA MET 30 9.770 14.285 11.858 239 1HB MET 30 HB2 MET 30 10.813 16.859 11.812 240 2HB MET 30 HB1 MET 30 9.105 16.475 11.701 241 1HG MET 30 HG2 MET 30 9.384 18.179 13.387 242 2HG MET 30 HG1 MET 30 8.941 16.705 14.202 243 1HE MET 30 HE1 MET 30 11.236 19.572 13.917 244 2HE MET 30 HE2 MET 30 12.261 18.575 12.890 245 3HE MET 30 HE3 MET 30 12.830 19.066 14.480 246 H ASN 31 HN ASN 31 12.169 15.538 14.196 247 HA ASN 31 HA ASN 31 14.419 15.437 12.578 248 1HB ASN 31 HB2 ASN 31 14.157 14.770 15.518 249 2HB ASN 31 HB1 ASN 31 15.689 15.032 14.696 250 1HD2 ASN 31 HD21 ASN 31 13.784 16.637 16.733 251 2HD2 ASN 31 HD22 ASN 31 13.911 18.218 16.131 252 H SER 32 HN SER 32 12.833 12.794 14.325 253 HA SER 32 HA SER 32 14.831 10.831 13.578 254 1HB SER 32 HB2 SER 32 13.413 10.627 15.616 255 2HB SER 32 HB1 SER 32 12.003 10.417 14.581 256 HG SER 32 HG SER 32 12.834 8.520 13.841 257 H TYR 33 HN TYR 33 11.423 11.377 12.638 258 HA TYR 33 HA TYR 33 11.374 9.451 10.563 259 1HB TYR 33 HB2 TYR 33 9.324 10.294 11.563 260 2HB TYR 33 HB1 TYR 33 9.690 11.930 11.008 261 HD1 TYR 33 HD1 TYR 33 9.544 12.523 8.638 262 HD2 TYR 33 HD2 TYR 33 8.592 8.555 9.982 263 HE1 TYR 33 HE1 TYR 33 8.501 12.030 6.448 264 HE2 TYR 33 HE2 TYR 33 7.542 8.062 7.789 265 HH TYR 33 HH TYR 33 8.059 9.606 5.111 266 H TYR 34 HN TYR 34 11.841 12.979 10.482 267 HA TYR 34 HA TYR 34 12.050 13.327 7.727 268 1HB TYR 34 HB2 TYR 34 11.952 15.172 9.440 269 2HB TYR 34 HB1 TYR 34 13.638 14.831 9.831 270 HD1 TYR 34 HD2 TYR 34 11.330 16.130 7.263 271 HD2 TYR 34 HD1 TYR 34 15.436 15.389 8.282 272 HE1 TYR 34 HE2 TYR 34 12.059 17.534 5.352 273 HE2 TYR 34 HE1 TYR 34 16.165 16.795 6.373 274 HH TYR 34 HH TYR 34 13.910 18.726 4.546 275 H ARG 35 HN ARG 35 14.663 12.753 10.096 276 HA ARG 35 HA ARG 35 16.737 12.587 8.190 277 1HB ARG 35 HB2 ARG 35 17.110 12.935 10.617 278 2HB ARG 35 HB1 ARG 35 16.587 11.277 10.916 279 1HG ARG 35 HG2 ARG 35 18.425 10.395 9.598 280 2HG ARG 35 HG1 ARG 35 18.895 12.018 9.093 281 1HD ARG 35 HD2 ARG 35 19.427 12.607 11.412 282 2HD ARG 35 HD1 ARG 35 18.888 11.020 11.953 283 HE ARG 35 HE ARG 35 20.895 10.119 11.198 284 1HH1 ARG 35 HH21 ARG 35 20.423 13.306 9.938 285 2HH1 ARG 35 HH22 ARG 35 22.020 13.428 9.277 286 1HH2 ARG 35 HH11 ARG 35 22.986 10.270 10.339 287 2HH2 ARG 35 HH12 ARG 35 23.470 11.709 9.503 288 H SER 36 HN SER 36 14.472 10.208 9.471 289 HA SER 36 HA SER 36 15.785 7.904 8.476 290 1HB SER 36 HB2 SER 36 13.765 6.708 8.896 291 2HB SER 36 HB1 SER 36 13.855 7.940 10.148 292 HG SER 36 HG SER 36 11.955 7.541 8.341 293 H VAL 37 HN VAL 37 13.330 10.044 7.061 294 HA VAL 37 HA VAL 37 13.036 8.505 4.661 295 HB VAL 37 HB VAL 37 12.384 11.389 5.321 296 1HG1 VAL 37 HG11 VAL 37 12.686 11.270 2.899 297 2HG1 VAL 37 HG12 VAL 37 10.972 11.330 3.248 298 3HG1 VAL 37 HG13 VAL 37 11.721 9.795 2.821 299 1HG2 VAL 37 HG21 VAL 37 10.031 10.471 5.223 300 2HG2 VAL 37 HG22 VAL 37 11.007 9.833 6.546 301 3HG2 VAL 37 HG23 VAL 37 10.729 8.859 5.102 302 H VAL 38 HN VAL 38 14.688 11.622 5.280 303 HA VAL 38 HA VAL 38 15.861 11.958 2.791 304 HB VAL 38 HB VAL 38 16.990 12.652 5.519 305 1HG1 VAL 38 HG11 VAL 38 18.847 12.730 3.999 306 2HG1 VAL 38 HG12 VAL 38 18.292 14.394 4.158 307 3HG1 VAL 38 HG13 VAL 38 17.864 13.454 2.728 308 1HG2 VAL 38 HG21 VAL 38 14.878 13.755 5.124 309 2HG2 VAL 38 HG22 VAL 38 15.335 14.178 3.490 310 3HG2 VAL 38 HG23 VAL 38 16.142 14.941 4.847 311 H SER 39 HN SER 39 17.130 10.093 5.558 312 HA SER 39 HA SER 39 19.526 9.289 4.246 313 1HB SER 39 HB2 SER 39 18.106 7.892 6.519 314 2HB SER 39 HB1 SER 39 19.810 7.766 6.091 315 HG SER 39 HG SER 39 19.177 10.339 6.350 316 H THR 40 HN THR 40 16.256 8.276 4.006 317 HA THR 40 HA THR 40 16.906 5.620 2.940 318 HB THR 40 HB THR 40 14.224 7.005 3.211 319 HG1 THR 40 HG1 THR 40 15.048 4.799 4.699 320 1HG2 THR 40 HG21 THR 40 13.408 4.622 2.941 321 2HG2 THR 40 HG22 THR 40 15.041 4.196 2.429 322 3HG2 THR 40 HG23 THR 40 14.088 5.339 1.482 323 H LEU 41 HN LEU 41 15.237 8.552 1.778 324 HA LEU 41 HA LEU 41 15.005 7.706 -0.904 325 1HB LEU 41 HB2 LEU 41 15.142 10.509 0.230 326 2HB LEU 41 HB1 LEU 41 14.643 10.112 -1.411 327 HG LEU 41 HG LEU 41 13.266 9.147 1.119 328 1HD1 LEU 41 HD11 LEU 41 11.529 10.739 0.623 329 2HD1 LEU 41 HD12 LEU 41 12.259 11.145 -0.928 330 3HD1 LEU 41 HD13 LEU 41 13.053 11.625 0.570 331 1HD2 LEU 41 HD21 LEU 41 11.421 8.649 -0.738 332 2HD2 LEU 41 HD22 LEU 41 12.711 7.493 -0.448 333 3HD2 LEU 41 HD23 LEU 41 12.814 8.597 -1.820 334 H VAL 42 HN VAL 42 17.549 9.497 0.778 335 HA VAL 42 HA VAL 42 19.067 10.040 -1.588 336 HB VAL 42 HB VAL 42 19.206 11.210 0.724 337 1HG1 VAL 42 HG11 VAL 42 20.694 10.340 2.367 338 2HG1 VAL 42 HG12 VAL 42 21.335 9.125 1.262 339 3HG1 VAL 42 HG13 VAL 42 19.696 8.962 1.896 340 1HG2 VAL 42 HG21 VAL 42 20.668 11.854 -1.101 341 2HG2 VAL 42 HG22 VAL 42 21.693 10.440 -0.838 342 3HG2 VAL 42 HG23 VAL 42 21.653 11.731 0.364 343 H GLN 43 HN GLN 43 18.757 7.285 0.490 344 HA GLN 43 HA GLN 43 21.133 5.966 -0.686 345 1HB GLN 43 HB2 GLN 43 19.361 5.244 1.657 346 2HB GLN 43 HB1 GLN 43 20.615 4.173 1.029 347 1HG GLN 43 HG2 GLN 43 22.288 6.004 1.396 348 2HG GLN 43 HG1 GLN 43 21.016 6.963 2.141 349 1HE2 GLN 43 HE21 GLN 43 23.426 4.640 2.771 350 2HE2 GLN 43 HE22 GLN 43 22.923 4.199 4.331 351 H ASP 44 HN ASP 44 17.684 5.999 -0.853 352 HA ASP 44 HA ASP 44 17.520 3.367 -2.156 353 1HB ASP 44 HB2 ASP 44 15.440 5.444 -1.450 354 2HB ASP 44 HB1 ASP 44 15.072 3.930 -2.268 355 H GLN 45 HN GLN 45 17.313 6.796 -2.917 356 HA GLN 45 HA GLN 45 16.916 6.156 -5.786 357 1HB GLN 45 HB2 GLN 45 15.262 7.681 -4.688 358 2HB GLN 45 HB1 GLN 45 16.578 8.803 -4.365 359 1HG GLN 45 HG2 GLN 45 16.971 9.192 -6.686 360 2HG GLN 45 HG1 GLN 45 15.986 7.816 -7.166 361 1HE2 GLN 45 HE21 GLN 45 14.859 9.994 -4.616 362 2HE2 GLN 45 HE22 GLN 45 13.632 10.712 -5.541 363 H LEU 46 HN LEU 46 18.099 7.482 -7.315 364 HA LEU 46 HA LEU 46 20.401 8.958 -6.523 365 1HB LEU 46 HB2 LEU 46 20.832 6.242 -6.301 366 2HB LEU 46 HB1 LEU 46 21.370 6.512 -7.948 367 HG LEU 46 HG LEU 46 22.361 8.048 -5.517 368 1HD1 LEU 46 HD11 LEU 46 23.610 5.824 -7.156 369 2HD1 LEU 46 HD12 LEU 46 23.106 5.725 -5.469 370 3HD1 LEU 46 HD13 LEU 46 24.459 6.761 -5.926 371 1HD2 LEU 46 HD21 LEU 46 23.198 8.038 -8.438 372 2HD2 LEU 46 HD22 LEU 46 24.123 8.809 -7.150 373 3HD2 LEU 46 HD23 LEU 46 22.509 9.395 -7.547 374 H THR 47 HN THR 47 18.055 8.873 -8.391 375 HA THR 47 HA THR 47 18.923 8.660 -11.053 376 HB THR 47 HB THR 47 16.723 10.317 -9.808 377 HG1 THR 47 HG1 THR 47 16.448 8.096 -9.627 378 1HG2 THR 47 HG21 THR 47 17.215 11.341 -11.923 379 2HG2 THR 47 HG22 THR 47 15.790 10.332 -12.157 380 3HG2 THR 47 HG23 THR 47 17.368 9.772 -12.714 381 H LYS 48 HN LYS 48 18.863 11.384 -8.816 382 HA LYS 48 HA LYS 48 21.087 12.668 -10.028 383 1HB LYS 48 HB2 LYS 48 19.585 13.195 -11.838 384 2HB LYS 48 HB1 LYS 48 18.348 13.738 -10.720 385 1HG LYS 48 HG2 LYS 48 19.377 15.773 -10.331 386 2HG LYS 48 HG1 LYS 48 21.003 15.132 -10.494 387 1HD LYS 48 HD2 LYS 48 19.198 15.341 -12.920 388 2HD LYS 48 HD1 LYS 48 20.069 16.759 -12.344 389 1HE LYS 48 HE2 LYS 48 22.198 15.662 -12.611 390 2HE LYS 48 HE1 LYS 48 21.429 14.116 -12.950 391 1HZ LYS 48 HZ1 LYS 48 22.221 15.438 -14.934 392 2HZ LYS 48 HZ2 LYS 48 20.943 16.512 -14.617 393 3HZ LYS 48 HZ3 LYS 48 20.617 14.888 -14.993 394 H ASN 49 HN ASN 49 21.884 14.277 -8.726 395 HA ASN 49 HA ASN 49 21.192 14.434 -6.078 396 1HB ASN 49 HB2 ASN 49 22.414 16.604 -6.044 397 2HB ASN 49 HB1 ASN 49 23.294 15.309 -6.847 398 1HD2 ASN 49 HD21 ASN 49 24.056 15.778 -8.899 399 2HD2 ASN 49 HD22 ASN 49 23.493 17.043 -9.880 400 H ALA 50 HN ALA 50 19.963 16.369 -8.779 401 HA ALA 50 HA ALA 50 18.450 18.179 -7.173 402 1HB ALA 50 HB1 ALA 50 17.773 17.463 -10.030 403 2HB ALA 50 HB2 ALA 50 19.141 18.496 -9.620 404 3HB ALA 50 HB3 ALA 50 17.505 18.989 -9.190 405 H VAL 51 HN VAL 51 17.532 15.284 -9.038 406 HA VAL 51 HA VAL 51 14.801 15.236 -8.464 407 HB VAL 51 HB VAL 51 16.787 13.009 -8.979 408 1HG1 VAL 51 HG11 VAL 51 14.712 11.567 -9.382 409 2HG1 VAL 51 HG12 VAL 51 13.797 12.801 -8.511 410 3HG1 VAL 51 HG13 VAL 51 15.080 11.915 -7.694 411 1HG2 VAL 51 HG21 VAL 51 14.481 14.067 -10.643 412 2HG2 VAL 51 HG22 VAL 51 15.748 12.967 -11.162 413 3HG2 VAL 51 HG23 VAL 51 16.140 14.644 -10.798 414 H VAL 52 HN VAL 52 17.488 13.907 -6.522 415 HA VAL 52 HA VAL 52 15.675 12.986 -4.429 416 HB VAL 52 HB VAL 52 17.723 12.385 -3.207 417 1HG1 VAL 52 HG11 VAL 52 16.816 11.006 -5.158 418 2HG1 VAL 52 HG12 VAL 52 18.518 10.743 -4.784 419 3HG1 VAL 52 HG13 VAL 52 18.060 11.745 -6.163 420 1HG2 VAL 52 HG21 VAL 52 19.050 13.905 -5.448 421 2HG2 VAL 52 HG22 VAL 52 19.924 12.843 -4.358 422 3HG2 VAL 52 HG23 VAL 52 19.130 14.289 -3.737 423 H LEU 53 HN LEU 53 17.776 15.777 -4.953 424 HA LEU 53 HA LEU 53 17.608 16.866 -2.344 425 1HB LEU 53 HB2 LEU 53 19.266 17.671 -3.944 426 2HB LEU 53 HB1 LEU 53 17.984 18.296 -4.963 427 HG LEU 53 HG LEU 53 17.347 19.900 -3.201 428 1HD1 LEU 53 HD11 LEU 53 19.117 20.124 -1.286 429 2HD1 LEU 53 HD12 LEU 53 19.520 18.450 -1.665 430 3HD1 LEU 53 HD13 LEU 53 17.891 18.870 -1.140 431 1HD2 LEU 53 HD21 LEU 53 18.976 20.584 -4.872 432 2HD2 LEU 53 HD22 LEU 53 20.288 19.853 -3.945 433 3HD2 LEU 53 HD23 LEU 53 19.440 21.263 -3.311 434 H LYS 54 HN LYS 54 15.636 17.481 -5.243 435 HA LYS 54 HA LYS 54 13.998 19.480 -4.195 436 1HB LYS 54 HB2 LYS 54 12.516 19.061 -6.005 437 2HB LYS 54 HB1 LYS 54 14.088 18.549 -6.610 438 1HG LYS 54 HG2 LYS 54 13.485 16.218 -5.835 439 2HG LYS 54 HG1 LYS 54 11.857 16.779 -5.561 440 1HD LYS 54 HD2 LYS 54 13.254 17.042 -8.238 441 2HD LYS 54 HD1 LYS 54 12.255 15.659 -7.806 442 1HE LYS 54 HE2 LYS 54 10.382 17.309 -7.306 443 2HE LYS 54 HE1 LYS 54 11.389 18.545 -8.060 444 1HZ LYS 54 HZ1 LYS 54 9.907 16.386 -9.261 445 2HZ LYS 54 HZ2 LYS 54 11.495 16.539 -9.846 446 3HZ LYS 54 HZ3 LYS 54 10.424 17.854 -9.935 447 H ARG 55 HN ARG 55 13.731 15.966 -3.941 448 HA ARG 55 HA ARG 55 11.219 15.880 -2.664 449 1HB ARG 55 HB2 ARG 55 13.569 13.963 -2.685 450 2HB ARG 55 HB1 ARG 55 12.036 13.590 -1.898 451 1HG ARG 55 HG2 ARG 55 10.854 13.917 -4.047 452 2HG ARG 55 HG1 ARG 55 12.392 14.273 -4.835 453 1HD ARG 55 HD2 ARG 55 13.225 12.033 -4.249 454 2HD ARG 55 HD1 ARG 55 11.708 11.675 -3.428 455 HE ARG 55 HE ARG 55 11.360 12.442 -6.198 456 1HH1 ARG 55 HH21 ARG 55 12.063 9.872 -3.989 457 2HH1 ARG 55 HH22 ARG 55 11.508 8.623 -5.053 458 1HH2 ARG 55 HH11 ARG 55 10.632 10.810 -7.596 459 2HH2 ARG 55 HH12 ARG 55 10.698 9.154 -7.095 460 H ILE 56 HN ILE 56 14.534 16.155 -1.446 461 HA ILE 56 HA ILE 56 13.854 15.923 1.310 462 HB ILE 56 HB ILE 56 16.244 17.192 -0.061 463 1HG1 ILE 56 HG12 ILE 56 15.939 14.487 1.281 464 2HG1 ILE 56 HG11 ILE 56 15.837 14.733 -0.444 465 1HG2 ILE 56 HG21 ILE 56 17.330 16.813 2.210 466 2HG2 ILE 56 HG22 ILE 56 15.720 16.490 2.846 467 3HG2 ILE 56 HG23 ILE 56 16.110 18.078 2.187 468 1HD1 ILE 56 HD11 ILE 56 18.112 15.728 -0.398 469 2HD1 ILE 56 HD12 ILE 56 18.091 14.047 0.115 470 3HD1 ILE 56 HD13 ILE 56 18.211 15.338 1.309 471 H GLN 57 HN GLN 57 14.504 18.718 -0.811 472 HA GLN 57 HA GLN 57 14.146 20.732 1.097 473 1HB GLN 57 HB2 GLN 57 13.620 20.749 -1.888 474 2HB GLN 57 HB1 GLN 57 13.648 22.192 -0.876 475 1HG GLN 57 HG2 GLN 57 15.967 21.729 -0.238 476 2HG GLN 57 HG1 GLN 57 15.946 20.246 -1.184 477 1HE2 GLN 57 HE21 GLN 57 17.434 23.000 -1.452 478 2HE2 GLN 57 HE22 GLN 57 17.213 23.384 -3.091 479 H HIS 58 HN HIS 58 11.848 18.904 -0.839 480 HA HIS 58 HA HIS 58 9.578 20.541 -0.137 481 1HB HIS 58 HB2 HIS 58 9.740 17.753 -1.316 482 2HB HIS 58 HB1 HIS 58 8.267 18.714 -1.174 483 HD1 HIS 58 HD1 HIS 58 8.821 18.115 -3.984 484 HD2 HIS 58 HD2 HIS 58 10.766 21.282 -2.094 485 HE1 HIS 58 HE1 HIS 58 9.642 19.652 -5.822 486 HE2 HIS 58 HE2 HIS 58 10.829 21.589 -4.685 487 H LEU 59 HN LEU 59 10.906 17.427 0.932 488 HA LEU 59 HA LEU 59 8.908 16.582 2.641 489 1HB LEU 59 HB2 LEU 59 11.022 15.336 2.164 490 2HB LEU 59 HB1 LEU 59 11.878 16.442 3.230 491 HG LEU 59 HG LEU 59 10.380 15.737 5.107 492 1HD1 LEU 59 HD11 LEU 59 8.382 14.920 4.252 493 2HD1 LEU 59 HD12 LEU 59 9.212 13.401 4.567 494 3HD1 LEU 59 HD13 LEU 59 9.161 14.054 2.929 495 1HD2 LEU 59 HD21 LEU 59 11.843 13.488 3.717 496 2HD2 LEU 59 HD22 LEU 59 11.419 13.552 5.428 497 3HD2 LEU 59 HD23 LEU 59 12.577 14.700 4.764 498 H ASP 60 HN ASP 60 10.968 19.341 2.980 499 HA ASP 60 HA ASP 60 10.910 19.725 5.753 500 1HB ASP 60 HB2 ASP 60 11.548 21.989 5.329 501 2HB ASP 60 HB1 ASP 60 12.271 21.035 4.036 502 H GLU 61 HN GLU 61 8.460 20.149 3.333 503 HA GLU 61 HA GLU 61 6.753 21.966 4.633 504 1HB GLU 61 HB2 GLU 61 5.078 21.241 3.084 505 2HB GLU 61 HB1 GLU 61 6.620 21.171 2.235 506 1HG GLU 61 HG2 GLU 61 6.674 18.659 3.016 507 2HG GLU 61 HG1 GLU 61 4.950 18.876 3.311 508 H ALA 62 HN ALA 62 7.091 18.460 4.866 509 HA ALA 62 HA ALA 62 4.814 18.085 6.515 510 1HB ALA 62 HB1 ALA 62 5.599 15.830 6.795 511 2HB ALA 62 HB2 ALA 62 7.242 16.285 6.348 512 3HB ALA 62 HB3 ALA 62 5.961 16.297 5.136 513 H TYR 63 HN TYR 63 8.309 18.075 7.254 514 HA TYR 63 HA TYR 63 8.160 17.810 9.994 515 1HB TYR 63 HB2 TYR 63 10.421 17.896 9.630 516 2HB TYR 63 HB1 TYR 63 10.166 18.637 8.055 517 HD1 TYR 63 HD1 TYR 63 10.395 19.376 11.692 518 HD2 TYR 63 HD2 TYR 63 10.635 20.980 7.734 519 HE1 TYR 63 HE1 TYR 63 11.197 21.534 12.619 520 HE2 TYR 63 HE2 TYR 63 11.430 23.137 8.648 521 HH TYR 63 HH TYR 63 11.756 23.620 12.167 522 H ASN 64 HN ASN 64 8.014 20.781 8.058 523 HA ASN 64 HA ASN 64 7.863 22.606 10.188 524 1HB ASN 64 HB2 ASN 64 8.359 23.260 7.865 525 2HB ASN 64 HB1 ASN 64 6.713 22.840 7.395 526 1HD2 ASN 64 HD21 ASN 64 7.543 24.402 10.482 527 2HD2 ASN 64 HD22 ASN 64 6.777 25.875 10.132 528 H LYS 65 HN LYS 65 5.445 20.644 8.573 529 HA LYS 65 HA LYS 65 3.150 21.956 9.548 530 1HB LYS 65 HB2 LYS 65 3.324 20.118 7.732 531 2HB LYS 65 HB1 LYS 65 3.310 18.971 9.067 532 1HG LYS 65 HG2 LYS 65 1.009 19.101 8.656 533 2HG LYS 65 HG1 LYS 65 1.162 20.395 9.834 534 1HD LYS 65 HD2 LYS 65 1.405 22.023 7.937 535 2HD LYS 65 HD1 LYS 65 1.114 20.695 6.814 536 1HE LYS 65 HE2 LYS 65 -0.793 21.528 9.015 537 2HE LYS 65 HE1 LYS 65 -0.956 21.991 7.321 538 1HZ LYS 65 HZ1 LYS 65 -0.686 19.385 7.043 539 2HZ LYS 65 HZ2 LYS 65 -2.199 20.120 7.288 540 3HZ LYS 65 HZ3 LYS 65 -1.379 19.402 8.591 541 H VAL 66 HN VAL 66 5.165 19.384 10.900 542 HA VAL 66 HA VAL 66 3.511 18.718 13.085 543 HB VAL 66 HB VAL 66 6.548 18.602 12.908 544 1HG1 VAL 66 HG11 VAL 66 6.225 16.756 14.598 545 2HG1 VAL 66 HG12 VAL 66 4.549 17.280 14.758 546 3HG1 VAL 66 HG13 VAL 66 5.859 18.371 15.206 547 1HG2 VAL 66 HG21 VAL 66 6.103 16.218 12.304 548 2HG2 VAL 66 HG22 VAL 66 5.524 17.359 11.087 549 3HG2 VAL 66 HG23 VAL 66 4.383 16.600 12.199 550 H LYS 67 HN LYS 67 6.222 20.998 12.818 551 HA LYS 67 HA LYS 67 6.130 21.919 15.489 552 1HB LYS 67 HB2 LYS 67 7.084 23.316 12.997 553 2HB LYS 67 HB1 LYS 67 7.485 23.756 14.650 554 1HG LYS 67 HG2 LYS 67 8.056 20.942 14.421 555 2HG LYS 67 HG1 LYS 67 8.703 21.693 12.980 556 1HD LYS 67 HD2 LYS 67 9.268 22.576 15.820 557 2HD LYS 67 HD1 LYS 67 10.337 21.566 14.859 558 1HE LYS 67 HE2 LYS 67 11.297 23.492 14.026 559 2HE LYS 67 HE1 LYS 67 9.757 23.915 13.279 560 1HZ LYS 67 HZ1 LYS 67 10.172 24.412 16.149 561 2HZ LYS 67 HZ2 LYS 67 9.150 25.216 15.056 562 3HZ LYS 67 HZ3 LYS 67 10.827 25.488 15.013 563 H ARG 68 HN ARG 68 4.700 23.112 12.499 564 HA ARG 68 HA ARG 68 3.584 25.483 13.510 565 1HB ARG 68 HB2 ARG 68 2.907 23.710 11.164 566 2HB ARG 68 HB1 ARG 68 1.929 25.125 11.526 567 1HG ARG 68 HG2 ARG 68 3.883 26.576 11.315 568 2HG ARG 68 HG1 ARG 68 4.928 25.180 11.063 569 1HD ARG 68 HD2 ARG 68 4.345 26.230 8.914 570 2HD ARG 68 HD1 ARG 68 3.671 24.607 9.015 571 HE ARG 68 HE ARG 68 1.789 26.532 9.947 572 1HH1 ARG 68 HH21 ARG 68 3.302 25.284 7.097 573 2HH1 ARG 68 HH22 ARG 68 1.969 25.660 6.058 574 1HH2 ARG 68 HH11 ARG 68 0.037 27.028 8.592 575 2HH2 ARG 68 HH12 ARG 68 0.120 26.648 6.904 576 H GLY 69 HN GLY 69 2.453 22.162 13.510 577 1HA GLY 69 HA2 GLY 69 -0.152 22.893 14.628 578 2HA GLY 69 HA1 GLY 69 0.415 21.278 14.219 579 H GLU 70 HN GLU 70 2.976 21.779 15.662 580 HA GLU 70 HA GLU 70 1.986 21.200 18.400 581 1HB GLU 70 HB2 GLU 70 4.642 20.581 17.079 582 2HB GLU 70 HB1 GLU 70 4.153 20.095 18.694 583 1HG GLU 70 HG2 GLU 70 2.477 19.333 16.282 584 2HG GLU 70 HG1 GLU 70 3.843 18.358 16.785 585 H SER 71 HN SER 71 4.436 21.576 19.685 586 HA SER 71 HA SER 71 5.535 23.220 20.862 587 1HB SER 71 HB2 SER 71 6.755 23.384 18.730 588 2HB SER 71 HB1 SER 71 5.572 24.547 18.143 589 HG SER 71 HG SER 71 6.194 25.944 19.792 590 H LYS 72 HN LYS 72 3.415 23.571 21.930 591 HA LYS 72 HA LYS 72 1.755 25.776 21.150 592 1HB LYS 72 HB2 LYS 72 0.709 25.436 23.371 593 2HB LYS 72 HB1 LYS 72 0.848 23.930 22.463 594 1HG LYS 72 HG2 LYS 72 2.935 23.398 23.709 595 2HG LYS 72 HG1 LYS 72 2.725 24.870 24.657 596 1HD LYS 72 HD2 LYS 72 0.503 24.030 25.407 597 2HD LYS 72 HD1 LYS 72 0.814 22.522 24.546 598 1HE LYS 72 HE2 LYS 72 2.605 23.642 26.722 599 2HE LYS 72 HE1 LYS 72 1.382 22.399 26.983 600 1HZ LYS 72 HZ1 LYS 72 3.821 22.238 25.317 601 2HZ LYS 72 HZ2 LYS 72 2.542 21.133 25.154 602 3HZ LYS 72 HZ3 LYS 72 3.378 21.256 26.627 603 H LEU 73 HN LEU 73 4.579 25.364 23.151 604 HA LEU 73 HA LEU 73 4.551 27.497 24.847 605 1HB LEU 73 HB2 LEU 73 6.428 25.802 24.483 606 2HB LEU 73 HB1 LEU 73 6.967 26.832 23.162 607 HG LEU 73 HG LEU 73 6.856 28.759 25.016 608 1HD1 LEU 73 HD11 LEU 73 7.469 27.912 27.255 609 2HD1 LEU 73 HD12 LEU 73 7.261 26.257 26.687 610 3HD1 LEU 73 HD13 LEU 73 5.873 27.337 26.783 611 1HD2 LEU 73 HD21 LEU 73 9.043 26.658 24.900 612 2HD2 LEU 73 HD22 LEU 73 9.225 28.253 25.634 613 3HD2 LEU 73 HD23 LEU 73 8.923 28.108 23.902 614 H GLU 74 HN GLU 74 6.006 27.692 21.617 615 HA GLU 74 HA GLU 74 6.297 29.427 20.162 616 1HB GLU 74 HB2 GLU 74 3.696 30.338 21.405 617 2HB GLU 74 HB1 GLU 74 4.389 30.981 19.919 618 1HG GLU 74 HG2 GLU 74 4.284 28.747 18.887 619 2HG GLU 74 HG1 GLU 74 3.624 28.083 20.379 620 H HIS 75 HN HIS 75 4.757 31.125 22.861 621 HA HIS 75 HA HIS 75 7.173 32.350 23.784 622 1HB HIS 75 HB2 HIS 75 6.545 34.681 23.149 623 2HB HIS 75 HB1 HIS 75 6.961 33.670 21.765 624 HD1 HIS 75 HD1 HIS 75 5.059 32.979 20.160 625 HD2 HIS 75 HD2 HIS 75 3.772 35.375 23.320 626 HE1 HIS 75 HE1 HIS 75 2.703 33.711 19.591 627 HE2 HIS 75 HE2 HIS 75 1.904 35.173 21.507 628 H HIS 76 HN HIS 76 6.772 33.884 25.539 629 HA HIS 76 HA HIS 76 4.727 32.991 27.283 630 1HB HIS 76 HB2 HIS 76 6.853 33.967 28.080 631 2HB HIS 76 HB1 HIS 76 6.372 35.533 27.425 632 HD1 HIS 76 HD1 HIS 76 5.302 37.018 29.104 633 HD2 HIS 76 HD2 HIS 76 4.656 32.999 30.006 634 HE1 HIS 76 HE1 HIS 76 3.972 36.973 31.260 635 HE2 HIS 76 HE2 HIS 76 3.572 34.529 31.823 636 H HIS 77 HN HIS 77 2.736 33.788 27.762 637 HA HIS 77 HA HIS 77 1.329 35.290 25.837 638 1HB HIS 77 HB2 HIS 77 0.635 34.779 28.741 639 2HB HIS 77 HB1 HIS 77 -0.486 35.348 27.504 640 HD1 HIS 77 HD1 HIS 77 1.436 32.312 28.597 641 HD2 HIS 77 HD2 HIS 77 -1.315 33.357 25.643 642 HE1 HIS 77 HE1 HIS 77 0.673 30.146 27.528 643 HE2 HIS 77 HE2 HIS 77 -1.003 30.766 25.725 644 H HIS 78 HN HIS 78 0.831 37.419 25.663 645 HA HIS 78 HA HIS 78 2.489 39.324 27.027 646 1HB HIS 78 HB2 HIS 78 0.106 39.749 25.208 647 2HB HIS 78 HB1 HIS 78 1.245 40.995 25.717 648 HD1 HIS 78 HD1 HIS 78 3.911 40.171 25.189 649 HD2 HIS 78 HD2 HIS 78 0.850 38.664 22.794 650 HE1 HIS 78 HE1 HIS 78 5.009 39.340 23.063 651 HE2 HIS 78 HE2 HIS 78 3.155 38.418 21.592 652 H HIS 79 HN HIS 79 1.780 41.061 28.357 653 HA HIS 79 HA HIS 79 -0.882 40.833 29.608 654 1HB HIS 79 HB2 HIS 79 1.727 40.749 31.148 655 2HB HIS 79 HB1 HIS 79 0.127 40.928 31.868 656 HD1 HIS 79 HD1 HIS 79 2.446 38.417 30.440 657 HD2 HIS 79 HD2 HIS 79 -1.568 38.577 31.555 658 HE1 HIS 79 HE1 HIS 79 1.634 36.021 30.538 659 HE2 HIS 79 HE2 HIS 79 -0.812 36.101 31.214 660 H HIS 80 HN HIS 80 -1.633 42.728 30.504 661 HA HIS 80 HA HIS 80 -0.789 45.141 29.377 662 1HB HIS 80 HB2 HIS 80 -2.257 46.217 31.051 663 2HB HIS 80 HB1 HIS 80 -3.036 44.827 30.293 664 HD1 HIS 80 HD1 HIS 80 -1.112 42.851 32.123 665 HD2 HIS 80 HD2 HIS 80 -3.856 45.708 33.423 666 HE1 HIS 80 HE1 HIS 80 -1.769 42.194 34.479 667 HE2 HIS 80 HE2 HIS 80 -3.442 43.927 35.285 668 1H MET 1 HT1 MET 1 32.183 30.880 15.358 669 2H MET 1 HT2 MET 1 31.289 32.155 16.037 670 3H MET 1 HT3 MET 1 32.461 31.348 16.964 671 HA MET 1 HA MET 1 32.778 33.604 15.330 672 1HB MET 1 HB2 MET 1 34.683 31.890 16.955 673 2HB MET 1 HB1 MET 1 35.094 33.470 16.290 674 1HG MET 1 HG2 MET 1 33.259 34.499 17.569 675 2HG MET 1 HG1 MET 1 32.824 32.920 18.225 676 1HE MET 1 HE1 MET 1 33.172 33.384 20.833 677 2HE MET 1 HE2 MET 1 33.025 34.973 20.087 678 3HE MET 1 HE3 MET 1 34.275 34.688 21.296 679 H SER 2 HN SER 2 34.544 30.491 15.280 680 HA SER 2 HA SER 2 35.811 31.076 12.762 681 1HB SER 2 HB2 SER 2 36.778 28.885 12.955 682 2HB SER 2 HB1 SER 2 36.779 29.606 14.562 683 HG SER 2 HG SER 2 35.188 28.284 15.172 684 H GLU 3 HN GLU 3 35.544 29.826 10.812 685 HA GLU 3 HA GLU 3 32.838 29.596 9.991 686 1HB GLU 3 HB2 GLU 3 35.367 28.548 8.690 687 2HB GLU 3 HB1 GLU 3 33.795 28.676 7.902 688 1HG GLU 3 HG2 GLU 3 35.242 31.038 9.136 689 2HG GLU 3 HG1 GLU 3 35.366 30.607 7.433 690 H LEU 4 HN LEU 4 31.757 27.702 9.218 691 HA LEU 4 HA LEU 4 31.747 25.575 11.080 692 1HB LEU 4 HB2 LEU 4 30.582 25.578 8.282 693 2HB LEU 4 HB1 LEU 4 30.042 24.630 9.664 694 HG LEU 4 HG LEU 4 29.908 27.648 9.420 695 1HD1 LEU 4 HD11 LEU 4 28.285 26.501 7.997 696 2HD1 LEU 4 HD12 LEU 4 27.457 27.239 9.370 697 3HD1 LEU 4 HD13 LEU 4 27.767 25.502 9.356 698 1HD2 LEU 4 HD21 LEU 4 28.432 27.323 11.530 699 2HD2 LEU 4 HD22 LEU 4 30.173 27.199 11.743 700 3HD2 LEU 4 HD23 LEU 4 29.190 25.736 11.662 701 H PHE 5 HN PHE 5 33.079 25.904 7.811 702 HA PHE 5 HA PHE 5 33.828 23.316 7.280 703 1HB PHE 5 HB2 PHE 5 34.176 25.169 5.706 704 2HB PHE 5 HB1 PHE 5 35.439 25.825 6.748 705 HD1 PHE 5 HD1 PHE 5 34.490 22.956 4.593 706 HD2 PHE 5 HD2 PHE 5 37.658 24.855 6.786 707 HE1 PHE 5 HE1 PHE 5 36.139 21.447 3.517 708 HE2 PHE 5 HE2 PHE 5 39.307 23.347 5.710 709 HZ PHE 5 HZ PHE 5 38.547 21.643 4.076 710 H SER 6 HN SER 6 34.641 21.992 8.762 711 HA SER 6 HA SER 6 37.245 21.787 9.471 712 1HB SER 6 HB2 SER 6 37.588 23.709 10.737 713 2HB SER 6 HB1 SER 6 35.896 23.831 11.192 714 HG SER 6 HG SER 6 37.880 22.895 12.612 715 H VAL 7 HN VAL 7 36.772 19.605 9.463 716 HA VAL 7 HA VAL 7 34.688 18.291 10.679 717 HB VAL 7 HB VAL 7 37.504 17.176 10.674 718 1HG1 VAL 7 HG11 VAL 7 34.769 15.920 10.674 719 2HG1 VAL 7 HG12 VAL 7 35.999 15.801 11.926 720 3HG1 VAL 7 HG13 VAL 7 36.258 15.029 10.362 721 1HG2 VAL 7 HG21 VAL 7 36.915 16.285 8.433 722 2HG2 VAL 7 HG22 VAL 7 36.990 18.047 8.451 723 3HG2 VAL 7 HG23 VAL 7 35.427 17.231 8.475 724 HA PRO 8 HA PRO 8 37.108 18.150 14.789 725 1HB PRO 8 HB2 PRO 8 38.739 20.655 14.688 726 2HB PRO 8 HB1 PRO 8 39.209 19.035 15.248 727 1HG PRO 8 HG2 PRO 8 40.147 19.987 12.942 728 2HG PRO 8 HG1 PRO 8 39.655 18.282 13.077 729 1HD PRO 8 HD2 PRO 8 38.095 20.586 11.941 730 2HD PRO 8 HD1 PRO 8 38.365 19.008 11.224 731 H TYR 9 HN TYR 9 35.896 21.002 13.219 732 HA TYR 9 HA TYR 9 35.106 22.332 15.689 733 1HB TYR 9 HB2 TYR 9 35.649 23.714 13.780 734 2HB TYR 9 HB1 TYR 9 34.415 22.926 12.795 735 HD1 TYR 9 HD1 TYR 9 34.828 24.729 16.065 736 HD2 TYR 9 HD2 TYR 9 32.278 23.944 12.698 737 HE1 TYR 9 HE1 TYR 9 33.183 26.372 16.926 738 HE2 TYR 9 HE2 TYR 9 30.635 25.586 13.559 739 HH TYR 9 HH TYR 9 31.370 27.670 16.269 740 H PHE 10 HN PHE 10 33.307 20.921 12.954 741 HA PHE 10 HA PHE 10 30.736 21.106 13.881 742 1HB PHE 10 HB2 PHE 10 32.076 18.811 12.413 743 2HB PHE 10 HB1 PHE 10 30.336 18.874 12.690 744 HD1 PHE 10 HD2 PHE 10 29.180 21.133 12.066 745 HD2 PHE 10 HD1 PHE 10 32.903 19.827 10.408 746 HE1 PHE 10 HE2 PHE 10 28.828 22.631 10.132 747 HE2 PHE 10 HE1 PHE 10 32.559 21.317 8.460 748 HZ PHE 10 HZ PHE 10 30.506 22.713 8.322 749 H ILE 11 HN ILE 11 33.045 18.517 14.709 750 HA ILE 11 HA ILE 11 31.283 17.164 16.487 751 HB ILE 11 HB ILE 11 34.291 17.168 16.135 752 1HG1 ILE 11 HG12 ILE 11 32.252 14.996 15.625 753 2HG1 ILE 11 HG11 ILE 11 32.750 16.145 14.385 754 1HG2 ILE 11 HG21 ILE 11 34.185 15.059 17.605 755 2HG2 ILE 11 HG22 ILE 11 32.599 15.632 18.117 756 3HG2 ILE 11 HG23 ILE 11 34.039 16.607 18.440 757 1HD1 ILE 11 HD11 ILE 11 34.025 14.057 14.187 758 2HD1 ILE 11 HD12 ILE 11 34.570 14.218 15.861 759 3HD1 ILE 11 HD13 ILE 11 35.092 15.386 14.647 760 H GLU 12 HN GLU 12 33.900 19.499 17.056 761 HA GLU 12 HA GLU 12 33.977 19.575 19.810 762 1HB GLU 12 HB2 GLU 12 35.300 21.436 19.495 763 2HB GLU 12 HB1 GLU 12 35.024 21.152 17.802 764 1HG GLU 12 HG2 GLU 12 34.504 23.440 18.085 765 2HG GLU 12 HG1 GLU 12 32.946 22.641 18.011 766 H ASN 13 HN ASN 13 31.430 20.728 17.751 767 HA ASN 13 HA ASN 13 30.077 22.291 19.746 768 1HB ASN 13 HB2 ASN 13 29.030 21.089 17.178 769 2HB ASN 13 HB1 ASN 13 28.299 22.397 18.109 770 1HD2 ASN 13 HD21 ASN 13 30.551 23.964 18.735 771 2HD2 ASN 13 HD22 ASN 13 31.240 24.557 17.300 772 H LEU 14 HN LEU 14 29.666 19.046 18.354 773 HA LEU 14 HA LEU 14 27.366 18.294 19.786 774 1HB LEU 14 HB2 LEU 14 29.590 16.449 18.870 775 2HB LEU 14 HB1 LEU 14 27.886 16.064 19.080 776 HG LEU 14 HG LEU 14 29.016 17.983 17.035 777 1HD1 LEU 14 HD11 LEU 14 27.788 15.241 16.706 778 2HD1 LEU 14 HD12 LEU 14 29.507 15.616 16.568 779 3HD1 LEU 14 HD13 LEU 14 28.360 16.287 15.407 780 1HD2 LEU 14 HD21 LEU 14 26.603 17.772 16.132 781 2HD2 LEU 14 HD22 LEU 14 26.843 18.785 17.548 782 3HD2 LEU 14 HD23 LEU 14 26.188 17.157 17.731 783 H LYS 15 HN LYS 15 30.829 17.895 20.500 784 HA LYS 15 HA LYS 15 30.577 16.361 22.832 785 1HB LYS 15 HB2 LYS 15 32.663 18.402 22.023 786 2HB LYS 15 HB1 LYS 15 32.814 17.344 23.424 787 1HG LYS 15 HG2 LYS 15 32.685 15.365 21.992 788 2HG LYS 15 HG1 LYS 15 32.415 16.380 20.578 789 1HD LYS 15 HD2 LYS 15 34.754 15.727 20.619 790 2HD LYS 15 HD1 LYS 15 34.645 17.450 20.964 791 1HE LYS 15 HE2 LYS 15 35.145 17.136 23.264 792 2HE LYS 15 HE1 LYS 15 34.732 15.421 23.214 793 1HZ LYS 15 HZ1 LYS 15 36.933 15.178 23.028 794 2HZ LYS 15 HZ2 LYS 15 37.184 16.766 22.476 795 3HZ LYS 15 HZ3 LYS 15 36.680 15.556 21.394 796 H GLN 16 HN GLN 16 30.620 19.894 22.375 797 HA GLN 16 HA GLN 16 30.429 20.548 25.143 798 1HB GLN 16 HB2 GLN 16 31.200 22.109 23.328 799 2HB GLN 16 HB1 GLN 16 29.527 22.220 22.783 800 1HG GLN 16 HG2 GLN 16 28.857 23.062 25.010 801 2HG GLN 16 HG1 GLN 16 30.528 22.955 25.553 802 1HE2 GLN 16 HE21 GLN 16 31.143 25.130 25.746 803 2HE2 GLN 16 HE22 GLN 16 31.003 26.273 24.500 804 H HIS 17 HN HIS 17 28.103 19.712 22.682 805 HA HIS 17 HA HIS 17 25.785 20.711 24.010 806 1HB HIS 17 HB2 HIS 17 26.067 18.470 21.995 807 2HB HIS 17 HB1 HIS 17 24.559 19.229 22.452 808 HD1 HIS 17 HD1 HIS 17 25.644 19.353 19.533 809 HD2 HIS 17 HD2 HIS 17 26.257 22.335 22.381 810 HE1 HIS 17 HE1 HIS 17 26.120 21.482 18.257 811 HE2 HIS 17 HE2 HIS 17 26.502 23.309 19.976 812 H ILE 18 HN ILE 18 27.108 17.401 23.757 813 HA ILE 18 HA ILE 18 25.274 16.334 25.694 814 HB ILE 18 HB ILE 18 26.606 14.290 25.505 815 1HG1 ILE 18 HG12 ILE 18 28.533 16.089 23.998 816 2HG1 ILE 18 HG11 ILE 18 28.861 15.178 25.469 817 1HG2 ILE 18 HG21 ILE 18 24.984 15.053 23.683 818 2HG2 ILE 18 HG22 ILE 18 26.175 13.864 23.182 819 3HG2 ILE 18 HG23 ILE 18 26.392 15.564 22.757 820 1HD1 ILE 18 HD11 ILE 18 29.838 13.877 23.763 821 2HD1 ILE 18 HD12 ILE 18 28.467 14.118 22.679 822 3HD1 ILE 18 HD13 ILE 18 28.299 13.074 24.094 823 H GLU 19 HN GLU 19 28.679 17.314 25.761 824 HA GLU 19 HA GLU 19 29.121 16.571 28.481 825 1HB GLU 19 HB2 GLU 19 30.919 16.943 26.722 826 2HB GLU 19 HB1 GLU 19 30.643 18.672 26.909 827 1HG GLU 19 HG2 GLU 19 32.490 18.093 28.340 828 2HG GLU 19 HG1 GLU 19 31.104 18.386 29.386 829 H MET 20 HN MET 20 28.455 19.682 26.889 830 HA MET 20 HA MET 20 27.963 20.931 29.524 831 1HB MET 20 HB2 MET 20 29.322 21.850 27.269 832 2HB MET 20 HB1 MET 20 27.786 22.681 27.135 833 1HG MET 20 HG2 MET 20 29.201 24.110 28.437 834 2HG MET 20 HG1 MET 20 28.088 23.361 29.579 835 1HE MET 20 HE1 MET 20 31.507 22.552 27.737 836 2HE MET 20 HE2 MET 20 32.586 22.747 29.115 837 3HE MET 20 HE3 MET 20 31.591 24.101 28.590 838 H ASN 21 HN ASN 21 26.278 22.961 28.688 839 HA ASN 21 HA ASN 21 23.906 21.800 27.468 840 1HB ASN 21 HB2 ASN 21 23.870 21.020 29.865 841 2HB ASN 21 HB1 ASN 21 23.797 22.711 30.356 842 1HD2 ASN 21 HD21 ASN 21 21.620 22.700 31.163 843 2HD2 ASN 21 HD22 ASN 21 20.276 22.402 30.169 844 H GLN 22 HN GLN 22 25.547 23.965 26.716 845 HA GLN 22 HA GLN 22 24.698 26.482 27.615 846 1HB GLN 22 HB2 GLN 22 26.669 26.086 26.140 847 2HB GLN 22 HB1 GLN 22 25.568 25.738 24.809 848 1HG GLN 22 HG2 GLN 22 24.646 27.982 24.907 849 2HG GLN 22 HG1 GLN 22 25.574 28.341 26.362 850 1HE2 GLN 22 HE21 GLN 22 25.856 29.944 24.018 851 2HE2 GLN 22 HE22 GLN 22 27.411 29.698 23.383 852 H SER 23 HN SER 23 23.518 24.523 24.886 853 HA SER 23 HA SER 23 20.814 25.280 25.242 854 1HB SER 23 HB2 SER 23 21.365 27.459 24.437 855 2HB SER 23 HB1 SER 23 22.387 26.806 23.160 856 HG SER 23 HG SER 23 20.082 25.684 22.801 857 H GLU 24 HN GLU 24 21.249 22.865 25.028 858 HA GLU 24 HA GLU 24 20.330 22.024 22.438 859 1HB GLU 24 HB2 GLU 24 23.003 22.279 22.440 860 2HB GLU 24 HB1 GLU 24 22.922 20.702 23.195 861 1HG GLU 24 HG2 GLU 24 23.076 20.255 20.846 862 2HG GLU 24 HG1 GLU 24 21.379 20.003 21.247 863 H ASP 25 HN ASP 25 21.468 19.307 22.891 864 HA ASP 25 HA ASP 25 20.120 18.459 25.377 865 1HB ASP 25 HB2 ASP 25 19.468 17.417 22.607 866 2HB ASP 25 HB1 ASP 25 18.891 16.712 24.114 867 H LYS 26 HN LYS 26 20.197 15.754 24.920 868 HA LYS 26 HA LYS 26 23.091 15.251 25.131 869 1HB LYS 26 HB2 LYS 26 21.487 14.345 26.814 870 2HB LYS 26 HB1 LYS 26 20.786 13.329 25.562 871 1HG LYS 26 HG2 LYS 26 22.997 12.257 25.200 872 2HG LYS 26 HG1 LYS 26 23.702 13.298 26.435 873 1HD LYS 26 HD2 LYS 26 22.130 12.354 28.107 874 2HD LYS 26 HD1 LYS 26 21.454 11.299 26.866 875 1HE LYS 26 HE2 LYS 26 24.374 11.300 27.672 876 2HE LYS 26 HE1 LYS 26 23.174 10.176 28.310 877 1HZ LYS 26 HZ1 LYS 26 23.811 8.945 26.562 878 2HZ LYS 26 HZ2 LYS 26 24.413 10.274 25.691 879 3HZ LYS 26 HZ3 LYS 26 22.746 9.940 25.693 880 H ILE 27 HN ILE 27 21.226 12.583 24.036 881 HA ILE 27 HA ILE 27 22.903 12.100 21.829 882 HB ILE 27 HB ILE 27 21.610 10.337 22.974 883 1HG1 ILE 27 HG12 ILE 27 20.809 9.131 20.982 884 2HG1 ILE 27 HG11 ILE 27 20.802 10.623 20.058 885 1HG2 ILE 27 HG21 ILE 27 19.557 11.808 23.284 886 2HG2 ILE 27 HG22 ILE 27 19.226 10.158 22.761 887 3HG2 ILE 27 HG23 ILE 27 19.161 11.477 21.596 888 1HD1 ILE 27 HD11 ILE 27 23.119 10.698 19.903 889 2HD1 ILE 27 HD12 ILE 27 22.855 8.958 19.926 890 3HD1 ILE 27 HD13 ILE 27 23.362 9.785 21.391 891 H HIS 28 HN HIS 28 19.706 13.622 22.074 892 HA HIS 28 HA HIS 28 19.199 13.845 19.315 893 1HB HIS 28 HB2 HIS 28 18.328 15.589 21.631 894 2HB HIS 28 HB1 HIS 28 17.696 15.751 19.995 895 HD1 HIS 28 HD1 HIS 28 17.597 13.536 23.010 896 HD2 HIS 28 HD2 HIS 28 16.019 13.584 19.152 897 HE1 HIS 28 HE1 HIS 28 15.810 11.742 22.944 898 HE2 HIS 28 HE2 HIS 28 14.839 11.759 20.598 899 H ALA 29 HN ALA 29 21.563 15.353 21.239 900 HA ALA 29 HA ALA 29 21.858 17.897 20.180 901 1HB ALA 29 HB1 ALA 29 24.080 15.937 20.808 902 2HB ALA 29 HB2 ALA 29 23.316 17.035 21.954 903 3HB ALA 29 HB3 ALA 29 24.268 17.680 20.622 904 H MET 30 HN MET 30 23.048 14.825 18.828 905 HA MET 30 HA MET 30 24.338 15.961 16.589 906 1HB MET 30 HB2 MET 30 24.420 13.715 15.711 907 2HB MET 30 HB1 MET 30 24.641 13.601 17.456 908 1HG MET 30 HG2 MET 30 22.056 13.275 17.533 909 2HG MET 30 HG1 MET 30 22.195 12.892 15.827 910 1HE MET 30 HE1 MET 30 21.202 10.228 16.377 911 2HE MET 30 HE2 MET 30 20.870 11.266 17.753 912 3HE MET 30 HE3 MET 30 21.573 9.678 18.014 913 H ASN 31 HN ASN 31 21.089 14.478 16.902 914 HA ASN 31 HA ASN 31 20.301 14.978 14.236 915 1HB ASN 31 HB2 ASN 31 18.690 14.607 16.771 916 2HB ASN 31 HB1 ASN 31 17.972 14.700 15.167 917 1HD2 ASN 31 HD21 ASN 31 17.772 12.335 16.792 918 2HD2 ASN 31 HD22 ASN 31 18.645 11.099 16.024 919 H SER 32 HN SER 32 19.799 16.847 17.215 920 HA SER 32 HA SER 32 18.260 18.919 16.067 921 1HB SER 32 HB2 SER 32 18.276 18.732 18.447 922 2HB SER 32 HB1 SER 32 20.034 18.787 18.510 923 HG SER 32 HG SER 32 18.177 20.841 18.028 924 H TYR 33 HN TYR 33 21.749 18.601 16.632 925 HA TYR 33 HA TYR 33 22.392 21.162 15.499 926 1HB TYR 33 HB2 TYR 33 23.830 20.161 17.186 927 2HB TYR 33 HB1 TYR 33 24.112 18.758 16.151 928 HD1 TYR 33 HD2 TYR 33 24.703 22.404 16.526 929 HD2 TYR 33 HD1 TYR 33 25.605 18.862 14.272 930 HE1 TYR 33 HE2 TYR 33 26.545 23.607 15.378 931 HE2 TYR 33 HE1 TYR 33 27.443 20.059 13.128 932 HH TYR 33 HH TYR 33 28.920 22.536 14.105 933 H TYR 34 HN TYR 34 22.677 17.787 14.397 934 HA TYR 34 HA TYR 34 23.936 18.142 11.980 935 1HB TYR 34 HB2 TYR 34 23.320 15.928 12.901 936 2HB TYR 34 HB1 TYR 34 21.631 16.243 12.513 937 HD1 TYR 34 HD2 TYR 34 20.899 16.341 10.136 938 HD2 TYR 34 HD1 TYR 34 24.952 15.405 11.230 939 HE1 TYR 34 HE2 TYR 34 21.323 15.504 7.841 940 HE2 TYR 34 HE1 TYR 34 25.375 14.580 8.929 941 HH TYR 34 HH TYR 34 24.445 14.050 6.960 942 H ARG 35 HN ARG 35 20.418 18.283 12.577 943 HA ARG 35 HA ARG 35 19.760 19.067 9.936 944 1HB ARG 35 HB2 ARG 35 18.143 18.083 11.558 945 2HB ARG 35 HB1 ARG 35 18.213 19.581 12.486 946 1HG ARG 35 HG2 ARG 35 17.417 20.841 10.513 947 2HG ARG 35 HG1 ARG 35 17.347 19.343 9.589 948 1HD ARG 35 HD2 ARG 35 15.741 18.446 11.290 949 2HD ARG 35 HD1 ARG 35 15.735 20.035 12.055 950 HE ARG 35 HE ARG 35 14.344 19.294 9.666 951 1HH1 ARG 35 HH21 ARG 35 16.044 21.855 11.252 952 2HH1 ARG 35 HH22 ARG 35 15.178 23.117 10.442 953 1HH2 ARG 35 HH11 ARG 35 13.204 20.942 8.600 954 2HH2 ARG 35 HH12 ARG 35 13.571 22.601 8.940 955 H SER 36 HN SER 36 20.827 20.813 12.782 956 HA SER 36 HA SER 36 19.972 23.393 12.032 957 1HB SER 36 HB2 SER 36 20.934 22.635 14.300 958 2HB SER 36 HB1 SER 36 22.519 22.882 13.578 959 HG SER 36 HG SER 36 21.360 25.011 12.923 960 H VAL 37 HN VAL 37 22.984 21.624 11.371 961 HA VAL 37 HA VAL 37 24.183 23.780 9.890 962 HB VAL 37 HB VAL 37 24.760 20.812 9.766 963 1HG1 VAL 37 HG11 VAL 37 26.287 23.223 8.772 964 2HG1 VAL 37 HG12 VAL 37 25.709 21.845 7.834 965 3HG1 VAL 37 HG13 VAL 37 27.026 21.633 8.981 966 1HG2 VAL 37 HG21 VAL 37 25.076 21.627 12.033 967 2HG2 VAL 37 HG22 VAL 37 25.932 23.053 11.445 968 3HG2 VAL 37 HG23 VAL 37 26.672 21.458 11.295 969 H VAL 38 HN VAL 38 22.813 20.652 8.809 970 HA VAL 38 HA VAL 38 22.913 21.109 6.081 971 HB VAL 38 HB VAL 38 20.684 19.709 7.566 972 1HG1 VAL 38 HG11 VAL 38 20.141 20.127 5.193 973 2HG1 VAL 38 HG12 VAL 38 20.496 18.421 5.447 974 3HG1 VAL 38 HG13 VAL 38 21.708 19.472 4.724 975 1HG2 VAL 38 HG21 VAL 38 22.966 18.893 8.132 976 2HG2 VAL 38 HG22 VAL 38 23.285 18.657 6.427 977 3HG2 VAL 38 HG23 VAL 38 22.043 17.710 7.222 978 H SER 39 HN SER 39 20.248 21.974 8.293 979 HA SER 39 HA SER 39 18.465 23.077 6.488 980 1HB SER 39 HB2 SER 39 17.730 24.546 8.366 981 2HB SER 39 HB1 SER 39 17.920 22.859 8.836 982 HG SER 39 HG SER 39 19.135 25.016 9.821 983 H THR 40 HN THR 40 20.873 25.003 8.314 984 HA THR 40 HA THR 40 20.539 27.313 6.631 985 HB THR 40 HB THR 40 22.807 26.728 8.547 986 HG1 THR 40 HG1 THR 40 21.316 26.821 10.001 987 1HG2 THR 40 HG21 THR 40 22.843 29.211 8.730 988 2HG2 THR 40 HG22 THR 40 21.589 29.300 7.493 989 3HG2 THR 40 HG23 THR 40 23.183 28.663 7.090 990 H LEU 41 HN LEU 41 23.036 24.843 6.959 991 HA LEU 41 HA LEU 41 24.934 25.822 5.176 992 1HB LEU 41 HB2 LEU 41 25.350 23.879 6.622 993 2HB LEU 41 HB1 LEU 41 24.184 22.947 5.703 994 HG LEU 41 HG LEU 41 25.543 23.072 3.734 995 1HD1 LEU 41 HD11 LEU 41 27.983 23.973 4.089 996 2HD1 LEU 41 HD12 LEU 41 27.264 24.892 5.414 997 3HD1 LEU 41 HD13 LEU 41 26.694 25.126 3.761 998 1HD2 LEU 41 HD21 LEU 41 27.259 22.238 6.063 999 2HD2 LEU 41 HD22 LEU 41 27.308 21.619 4.415 1000 3HD2 LEU 41 HD23 LEU 41 25.913 21.283 5.433 1001 H VAL 42 HN VAL 42 21.863 24.294 4.534 1002 HA VAL 42 HA VAL 42 22.438 24.081 1.637 1003 HB VAL 42 HB VAL 42 20.077 23.137 3.300 1004 1HG1 VAL 42 HG11 VAL 42 19.813 21.752 0.972 1005 2HG1 VAL 42 HG12 VAL 42 20.528 23.226 0.323 1006 3HG1 VAL 42 HG13 VAL 42 19.014 23.300 1.224 1007 1HG2 VAL 42 HG21 VAL 42 22.208 21.541 1.850 1008 2HG2 VAL 42 HG22 VAL 42 21.012 20.940 2.995 1009 3HG2 VAL 42 HG23 VAL 42 22.331 21.967 3.555 1010 H GLN 43 HN GLN 43 22.021 26.632 3.246 1011 HA GLN 43 HA GLN 43 20.037 27.847 1.417 1012 1HB GLN 43 HB2 GLN 43 20.148 28.143 4.431 1013 2HB GLN 43 HB1 GLN 43 19.259 29.246 3.382 1014 1HG GLN 43 HG2 GLN 43 17.885 27.408 2.548 1015 2HG GLN 43 HG1 GLN 43 18.814 26.247 3.490 1016 1HE2 GLN 43 HE21 GLN 43 16.286 26.027 4.192 1017 2HE2 GLN 43 HE22 GLN 43 15.896 26.890 5.601 1018 H ASP 44 HN ASP 44 23.138 27.793 2.603 1019 HA ASP 44 HA ASP 44 23.576 30.715 2.346 1020 1HB ASP 44 HB2 ASP 44 25.295 28.459 3.421 1021 2HB ASP 44 HB1 ASP 44 25.866 30.117 3.233 1022 H GLN 45 HN GLN 45 24.546 27.583 1.030 1023 HA GLN 45 HA GLN 45 25.968 28.969 -1.179 1024 1HB GLN 45 HB2 GLN 45 26.959 27.026 0.487 1025 2HB GLN 45 HB1 GLN 45 26.324 26.024 -0.810 1026 1HG GLN 45 HG2 GLN 45 28.570 26.515 -1.443 1027 2HG GLN 45 HG1 GLN 45 27.570 27.580 -2.430 1028 1HE2 GLN 45 HE21 GLN 45 28.566 29.630 -2.524 1029 2HE2 GLN 45 HE22 GLN 45 29.305 30.400 -1.204 1030 H LEU 46 HN LEU 46 25.939 27.551 -3.218 1031 HA LEU 46 HA LEU 46 23.808 25.849 -3.810 1032 1HB LEU 46 HB2 LEU 46 22.805 28.441 -3.482 1033 2HB LEU 46 HB1 LEU 46 23.066 28.385 -5.208 1034 HG LEU 46 HG LEU 46 21.505 26.294 -3.659 1035 1HD1 LEU 46 HD11 LEU 46 20.547 28.640 -5.330 1036 2HD1 LEU 46 HD12 LEU 46 20.362 28.465 -3.585 1037 3HD1 LEU 46 HD13 LEU 46 19.510 27.371 -4.676 1038 1HD2 LEU 46 HD21 LEU 46 20.717 25.694 -5.969 1039 2HD2 LEU 46 HD22 LEU 46 22.447 25.441 -5.747 1040 3HD2 LEU 46 HD23 LEU 46 21.870 26.858 -6.624 1041 H THR 47 HN THR 47 26.659 26.469 -4.382 1042 HA THR 47 HA THR 47 26.869 27.167 -7.147 1043 HB THR 47 HB THR 47 28.762 27.524 -5.685 1044 HG1 THR 47 HG1 THR 47 29.017 26.771 -7.938 1045 1HG2 THR 47 HG21 THR 47 28.270 25.634 -4.135 1046 2HG2 THR 47 HG22 THR 47 29.951 25.673 -4.663 1047 3HG2 THR 47 HG23 THR 47 28.830 24.521 -5.380 1048 H LYS 48 HN LYS 48 26.543 24.177 -5.370 1049 HA LYS 48 HA LYS 48 25.633 22.761 -7.671 1050 1HB LYS 48 HB2 LYS 48 28.143 22.847 -8.045 1051 2HB LYS 48 HB1 LYS 48 28.312 21.881 -6.589 1052 1HG LYS 48 HG2 LYS 48 28.274 20.190 -8.205 1053 2HG LYS 48 HG1 LYS 48 26.566 20.274 -7.797 1054 1HD LYS 48 HD2 LYS 48 26.275 21.883 -9.741 1055 2HD LYS 48 HD1 LYS 48 27.948 21.553 -10.176 1056 1HE LYS 48 HE2 LYS 48 25.793 19.441 -9.911 1057 2HE LYS 48 HE1 LYS 48 26.337 20.134 -11.440 1058 1HZ LYS 48 HZ1 LYS 48 27.668 18.244 -9.680 1059 2HZ LYS 48 HZ2 LYS 48 28.662 19.435 -10.373 1060 3HZ LYS 48 HZ3 LYS 48 27.751 18.401 -11.366 1061 H ASN 49 HN ASN 49 24.283 21.224 -6.975 1062 HA ASN 49 HA ASN 49 23.646 20.747 -4.338 1063 1HB ASN 49 HB2 ASN 49 23.406 18.736 -6.575 1064 2HB ASN 49 HB1 ASN 49 22.472 18.775 -5.080 1065 1HD2 ASN 49 HD21 ASN 49 22.435 21.866 -5.325 1066 2HD2 ASN 49 HD22 ASN 49 21.214 22.154 -6.468 1067 H ALA 50 HN ALA 50 26.155 19.240 -6.298 1068 HA ALA 50 HA ALA 50 26.748 17.112 -4.505 1069 1HB ALA 50 HB1 ALA 50 27.408 17.105 -6.883 1070 2HB ALA 50 HB2 ALA 50 28.771 16.820 -5.802 1071 3HB ALA 50 HB3 ALA 50 28.554 18.404 -6.545 1072 H VAL 51 HN VAL 51 28.308 20.247 -5.135 1073 HA VAL 51 HA VAL 51 30.386 20.142 -3.304 1074 HB VAL 51 HB VAL 51 28.696 22.435 -4.283 1075 1HG1 VAL 51 HG11 VAL 51 30.597 23.907 -3.260 1076 2HG1 VAL 51 HG12 VAL 51 30.919 22.521 -2.225 1077 3HG1 VAL 51 HG13 VAL 51 29.345 23.316 -2.170 1078 1HG2 VAL 51 HG21 VAL 51 31.654 21.895 -4.690 1079 2HG2 VAL 51 HG22 VAL 51 30.612 22.966 -5.625 1080 3HG2 VAL 51 HG23 VAL 51 30.420 21.218 -5.750 1081 H VAL 52 HN VAL 52 27.019 21.089 -2.700 1082 HA VAL 52 HA VAL 52 27.512 21.591 0.105 1083 HB VAL 52 HB VAL 52 25.021 21.763 0.261 1084 1HG1 VAL 52 HG11 VAL 52 24.850 23.759 -1.142 1085 2HG1 VAL 52 HG12 VAL 52 26.229 23.230 -2.107 1086 3HG1 VAL 52 HG13 VAL 52 26.457 23.687 -0.419 1087 1HG2 VAL 52 HG21 VAL 52 23.751 21.649 -1.876 1088 2HG2 VAL 52 HG22 VAL 52 24.438 20.086 -1.438 1089 3HG2 VAL 52 HG23 VAL 52 25.207 21.075 -2.675 1090 H LEU 53 HN LEU 53 26.280 18.906 -1.798 1091 HA LEU 53 HA LEU 53 25.360 17.333 0.365 1092 1HB LEU 53 HB2 LEU 53 26.111 16.814 -2.454 1093 2HB LEU 53 HB1 LEU 53 25.900 15.417 -1.428 1094 HG LEU 53 HG LEU 53 23.793 17.595 -1.701 1095 1HD1 LEU 53 HD11 LEU 53 24.192 16.632 -3.921 1096 2HD1 LEU 53 HD12 LEU 53 22.658 16.040 -3.287 1097 3HD1 LEU 53 HD13 LEU 53 24.085 15.006 -3.253 1098 1HD2 LEU 53 HD21 LEU 53 23.839 14.772 -0.560 1099 2HD2 LEU 53 HD22 LEU 53 22.325 15.544 -1.023 1100 3HD2 LEU 53 HD23 LEU 53 23.323 16.259 0.230 1101 H LYS 54 HN LYS 54 28.530 17.704 -1.097 1102 HA LYS 54 HA LYS 54 29.844 15.507 0.023 1103 1HB LYS 54 HB2 LYS 54 30.774 18.304 -0.650 1104 2HB LYS 54 HB1 LYS 54 31.893 17.089 -0.032 1105 1HG LYS 54 HG2 LYS 54 31.419 15.617 -1.899 1106 2HG LYS 54 HG1 LYS 54 30.155 16.688 -2.485 1107 1HD LYS 54 HD2 LYS 54 31.864 18.482 -2.765 1108 2HD LYS 54 HD1 LYS 54 33.108 17.323 -2.303 1109 1HE LYS 54 HE2 LYS 54 31.231 17.046 -4.671 1110 2HE LYS 54 HE1 LYS 54 32.941 17.469 -4.758 1111 1HZ LYS 54 HZ1 LYS 54 33.306 15.306 -3.494 1112 2HZ LYS 54 HZ2 LYS 54 32.888 15.190 -5.137 1113 3HZ LYS 54 HZ3 LYS 54 31.718 14.910 -3.937 1114 H ARG 55 HN ARG 55 29.259 18.732 1.428 1115 HA ARG 55 HA ARG 55 30.610 18.152 3.881 1116 1HB ARG 55 HB2 ARG 55 28.701 20.308 2.980 1117 2HB ARG 55 HB1 ARG 55 29.159 20.182 4.677 1118 1HG ARG 55 HG2 ARG 55 30.607 21.775 3.471 1119 2HG ARG 55 HG1 ARG 55 31.528 20.403 4.079 1120 1HD ARG 55 HD2 ARG 55 31.600 19.389 1.901 1121 2HD ARG 55 HD1 ARG 55 30.449 20.558 1.254 1122 HE ARG 55 HE ARG 55 32.560 22.073 2.178 1123 1HH1 ARG 55 HH21 ARG 55 32.127 19.429 -0.013 1124 2HH1 ARG 55 HH22 ARG 55 33.438 19.891 -1.046 1125 1HH2 ARG 55 HH11 ARG 55 34.276 22.688 0.825 1126 2HH2 ARG 55 HH12 ARG 55 34.655 21.736 -0.571 1127 H ILE 56 HN ILE 56 27.221 17.969 2.827 1128 HA ILE 56 HA ILE 56 26.118 17.356 5.360 1129 HB ILE 56 HB ILE 56 25.165 16.550 2.600 1130 1HG1 ILE 56 HG12 ILE 56 24.256 18.889 4.304 1131 2HG1 ILE 56 HG11 ILE 56 25.496 19.043 3.084 1132 1HG2 ILE 56 HG21 ILE 56 23.786 16.590 5.301 1133 2HG2 ILE 56 HG22 ILE 56 24.004 15.207 4.228 1134 3HG2 ILE 56 HG23 ILE 56 22.909 16.508 3.772 1135 1HD1 ILE 56 HD11 ILE 56 24.006 18.983 1.386 1136 2HD1 ILE 56 HD12 ILE 56 22.823 19.370 2.624 1137 3HD1 ILE 56 HD13 ILE 56 23.045 17.701 2.121 1138 H GLN 57 HN GLN 57 26.962 15.181 2.647 1139 HA GLN 57 HA GLN 57 26.443 12.776 3.956 1140 1HB GLN 57 HB2 GLN 57 28.441 13.426 1.772 1141 2HB GLN 57 HB1 GLN 57 27.995 11.791 2.256 1142 1HG GLN 57 HG2 GLN 57 25.993 13.869 1.314 1143 2HG GLN 57 HG1 GLN 57 26.720 12.664 0.255 1144 1HE2 GLN 57 HE21 GLN 57 25.997 10.457 0.443 1145 2HE2 GLN 57 HE22 GLN 57 24.684 10.016 1.425 1146 H HIS 58 HN HIS 58 29.259 14.885 3.981 1147 HA HIS 58 HA HIS 58 30.954 13.017 5.395 1148 1HB HIS 58 HB2 HIS 58 31.202 15.993 4.859 1149 2HB HIS 58 HB1 HIS 58 32.430 15.043 5.694 1150 HD1 HIS 58 HD1 HIS 58 31.502 12.559 3.600 1151 HD2 HIS 58 HD2 HIS 58 33.253 16.242 2.739 1152 HE1 HIS 58 HE1 HIS 58 32.608 12.314 1.335 1153 HE2 HIS 58 HE2 HIS 58 33.680 14.552 0.796 1154 H LEU 59 HN LEU 59 28.996 15.849 6.271 1155 HA LEU 59 HA LEU 59 29.735 16.224 8.896 1156 1HB LEU 59 HB2 LEU 59 28.024 17.591 7.743 1157 2HB LEU 59 HB1 LEU 59 26.895 16.246 7.833 1158 HG LEU 59 HG LEU 59 26.971 16.344 10.311 1159 1HD1 LEU 59 HD11 LEU 59 29.060 17.189 10.950 1160 2HD1 LEU 59 HD12 LEU 59 28.030 18.588 11.222 1161 3HD1 LEU 59 HD13 LEU 59 29.021 18.494 9.765 1162 1HD2 LEU 59 HD21 LEU 59 25.257 17.601 9.143 1163 2HD2 LEU 59 HD22 LEU 59 26.355 18.967 8.936 1164 3HD2 LEU 59 HD23 LEU 59 25.804 18.513 10.549 1165 H ASP 60 HN ASP 60 28.132 13.476 7.538 1166 HA ASP 60 HA ASP 60 26.839 12.425 9.794 1167 1HB ASP 60 HB2 ASP 60 26.855 10.307 8.654 1168 2HB ASP 60 HB1 ASP 60 26.641 11.561 7.434 1169 H GLU 61 HN GLU 61 30.212 12.542 8.919 1170 HA GLU 61 HA GLU 61 31.252 10.470 10.472 1171 1HB GLU 61 HB2 GLU 61 33.365 11.604 10.283 1172 2HB GLU 61 HB1 GLU 61 32.486 11.865 8.777 1173 1HG GLU 61 HG2 GLU 61 31.652 14.080 9.894 1174 2HG GLU 61 HG1 GLU 61 32.963 13.826 11.040 1175 H ALA 62 HN ALA 62 30.417 13.803 11.334 1176 HA ALA 62 HA ALA 62 31.431 13.633 13.987 1177 1HB ALA 62 HB1 ALA 62 29.253 15.512 13.052 1178 2HB ALA 62 HB2 ALA 62 30.954 15.767 12.667 1179 3HB ALA 62 HB3 ALA 62 30.422 15.765 14.349 1180 H TYR 63 HN TYR 63 28.112 13.453 12.669 1181 HA TYR 63 HA TYR 63 26.671 13.074 14.967 1182 1HB TYR 63 HB2 TYR 63 25.155 13.030 13.231 1183 2HB TYR 63 HB1 TYR 63 26.340 12.353 12.124 1184 HD1 TYR 63 HD1 TYR 63 26.725 9.906 12.019 1185 HD2 TYR 63 HD2 TYR 63 23.624 11.575 14.466 1186 HE1 TYR 63 HE1 TYR 63 25.711 7.661 12.254 1187 HE2 TYR 63 HE2 TYR 63 22.605 9.327 14.703 1188 HH TYR 63 HH TYR 63 24.222 6.487 13.885 1189 H ASN 64 HN ASN 64 28.621 10.702 13.198 1190 HA ASN 64 HA ASN 64 27.854 8.400 14.658 1191 1HB ASN 64 HB2 ASN 64 28.970 8.301 12.462 1192 2HB ASN 64 HB1 ASN 64 30.440 8.955 13.181 1193 1HD2 ASN 64 HD21 ASN 64 28.125 6.234 13.700 1194 2HD2 ASN 64 HD22 ASN 64 29.317 5.122 14.169 1195 H LYS 65 HN LYS 65 30.288 10.876 15.159 1196 HA LYS 65 HA LYS 65 31.873 9.617 17.086 1197 1HB LYS 65 HB2 LYS 65 32.268 11.872 15.943 1198 2HB LYS 65 HB1 LYS 65 31.135 12.555 17.103 1199 1HG LYS 65 HG2 LYS 65 33.154 12.920 18.236 1200 2HG LYS 65 HG1 LYS 65 32.705 11.352 18.898 1201 1HD LYS 65 HD2 LYS 65 34.145 10.241 17.202 1202 2HD LYS 65 HD1 LYS 65 34.595 11.822 16.569 1203 1HE LYS 65 HE2 LYS 65 35.540 12.432 18.760 1204 2HE LYS 65 HE1 LYS 65 35.091 10.848 19.394 1205 1HZ LYS 65 HZ1 LYS 65 37.455 11.405 18.274 1206 2HZ LYS 65 HZ2 LYS 65 36.607 10.796 16.933 1207 3HZ LYS 65 HZ3 LYS 65 36.775 9.852 18.336 1208 H VAL 66 HN VAL 66 28.876 11.484 17.454 1209 HA VAL 66 HA VAL 66 28.806 11.460 20.272 1210 HB VAL 66 HB VAL 66 26.531 11.643 18.276 1211 1HG1 VAL 66 HG11 VAL 66 25.599 11.078 20.429 1212 2HG1 VAL 66 HG12 VAL 66 25.377 12.812 20.211 1213 3HG1 VAL 66 HG13 VAL 66 26.669 12.211 21.253 1214 1HG2 VAL 66 HG21 VAL 66 26.775 14.034 18.554 1215 2HG2 VAL 66 HG22 VAL 66 28.349 13.372 18.110 1216 3HG2 VAL 66 HG23 VAL 66 28.016 13.808 19.788 1217 H LYS 67 HN LYS 67 27.329 9.348 17.877 1218 HA LYS 67 HA LYS 67 25.917 7.627 19.538 1219 1HB LYS 67 HB2 LYS 67 27.305 7.059 16.937 1220 2HB LYS 67 HB1 LYS 67 25.963 6.152 17.626 1221 1HG LYS 67 HG2 LYS 67 25.571 9.133 17.296 1222 2HG LYS 67 HG1 LYS 67 25.567 8.168 15.872 1223 1HD LYS 67 HD2 LYS 67 23.830 7.608 18.287 1224 2HD LYS 67 HD1 LYS 67 23.302 8.562 16.914 1225 1HE LYS 67 HE2 LYS 67 22.644 6.645 15.850 1226 2HE LYS 67 HE1 LYS 67 24.311 6.074 15.857 1227 1HZ LYS 67 HZ1 LYS 67 23.791 4.600 17.405 1228 2HZ LYS 67 HZ2 LYS 67 22.163 5.073 17.294 1229 3HZ LYS 67 HZ3 LYS 67 23.188 5.805 18.435 1230 H ARG 68 HN ARG 68 29.210 7.459 18.272 1231 HA ARG 68 HA ARG 68 29.889 4.968 19.424 1232 1HB ARG 68 HB2 ARG 68 31.054 6.146 17.488 1233 2HB ARG 68 HB1 ARG 68 31.812 7.192 18.687 1234 1HG ARG 68 HG2 ARG 68 32.808 5.245 19.789 1235 2HG ARG 68 HG1 ARG 68 31.995 4.168 18.658 1236 1HD ARG 68 HD2 ARG 68 34.278 4.459 17.910 1237 2HD ARG 68 HD1 ARG 68 33.211 5.302 16.791 1238 HE ARG 68 HE ARG 68 34.165 7.311 17.458 1239 1HH1 ARG 68 HH21 ARG 68 34.921 4.790 19.704 1240 2HH1 ARG 68 HH22 ARG 68 36.059 5.741 20.599 1241 1HH2 ARG 68 HH11 ARG 68 35.653 8.562 18.625 1242 2HH2 ARG 68 HH12 ARG 68 36.473 7.877 19.987 1243 H GLY 69 HN GLY 69 29.502 8.086 20.731 1244 1HA GLY 69 HA2 GLY 69 31.293 7.638 23.013 1245 2HA GLY 69 HA1 GLY 69 30.365 9.093 22.662 1246 H GLU 70 HN GLU 70 27.888 8.655 22.647 1247 HA GLU 70 HA GLU 70 27.044 8.139 25.214 1248 1HB GLU 70 HB2 GLU 70 24.751 7.841 24.160 1249 2HB GLU 70 HB1 GLU 70 25.595 9.326 23.745 1250 1HG GLU 70 HG2 GLU 70 25.541 8.823 21.542 1251 2HG GLU 70 HG1 GLU 70 26.319 7.280 21.833 1252 H SER 71 HN SER 71 25.506 6.045 22.907 1253 HA SER 71 HA SER 71 24.989 3.799 23.045 1254 1HB SER 71 HB2 SER 71 26.921 2.326 23.055 1255 2HB SER 71 HB1 SER 71 27.299 3.761 22.107 1256 HG SER 71 HG SER 71 28.468 2.821 24.350 1257 H LYS 72 HN LYS 72 26.127 1.767 24.627 1258 HA LYS 72 HA LYS 72 24.898 2.395 27.232 1259 1HB LYS 72 HB2 LYS 72 25.778 -0.208 25.960 1260 2HB LYS 72 HB1 LYS 72 25.063 -0.065 27.567 1261 1HG LYS 72 HG2 LYS 72 23.022 0.875 26.633 1262 2HG LYS 72 HG1 LYS 72 23.736 0.917 25.024 1263 1HD LYS 72 HD2 LYS 72 22.278 -1.025 25.192 1264 2HD LYS 72 HD1 LYS 72 23.950 -1.567 25.081 1265 1HE LYS 72 HE2 LYS 72 24.027 -2.154 27.384 1266 2HE LYS 72 HE1 LYS 72 22.598 -1.190 27.768 1267 1HZ LYS 72 HZ1 LYS 72 22.556 -3.818 27.357 1268 2HZ LYS 72 HZ2 LYS 72 22.223 -3.269 25.784 1269 3HZ LYS 72 HZ3 LYS 72 21.225 -2.803 27.078 1270 H LEU 73 HN LEU 73 27.965 1.362 25.807 1271 HA LEU 73 HA LEU 73 29.285 1.025 28.355 1272 1HB LEU 73 HB2 LEU 73 30.243 1.125 25.489 1273 2HB LEU 73 HB1 LEU 73 31.347 0.903 26.844 1274 HG LEU 73 HG LEU 73 28.933 -0.910 26.619 1275 1HD1 LEU 73 HD11 LEU 73 31.526 -1.229 25.077 1276 2HD1 LEU 73 HD12 LEU 73 29.913 -1.030 24.391 1277 3HD1 LEU 73 HD13 LEU 73 30.320 -2.501 25.276 1278 1HD2 LEU 73 HD21 LEU 73 30.416 -2.511 27.728 1279 2HD2 LEU 73 HD22 LEU 73 30.434 -0.999 28.629 1280 3HD2 LEU 73 HD23 LEU 73 31.778 -1.406 27.566 1281 H GLU 74 HN GLU 74 30.288 2.505 29.520 1282 HA GLU 74 HA GLU 74 31.061 5.094 28.288 1283 1HB GLU 74 HB2 GLU 74 29.517 4.771 30.876 1284 2HB GLU 74 HB1 GLU 74 30.141 6.288 30.227 1285 1HG GLU 74 HG2 GLU 74 28.747 5.960 28.188 1286 2HG GLU 74 HG1 GLU 74 28.091 4.489 28.901 1287 H HIS 75 HN HIS 75 33.076 3.604 28.484 1288 HA HIS 75 HA HIS 75 34.231 3.333 31.113 1289 1HB HIS 75 HB2 HIS 75 34.785 1.777 29.270 1290 2HB HIS 75 HB1 HIS 75 35.534 3.107 28.387 1291 HD1 HIS 75 HD1 HIS 75 36.047 0.854 31.344 1292 HD2 HIS 75 HD2 HIS 75 38.020 4.009 29.463 1293 HE1 HIS 75 HE1 HIS 75 38.375 0.938 32.338 1294 HE2 HIS 75 HE2 HIS 75 39.591 2.857 31.201 1295 H HIS 76 HN HIS 76 35.390 4.776 32.200 1296 HA HIS 76 HA HIS 76 36.918 6.863 30.866 1297 1HB HIS 76 HB2 HIS 76 34.546 7.555 32.622 1298 2HB HIS 76 HB1 HIS 76 35.764 8.704 32.069 1299 HD1 HIS 76 HD1 HIS 76 36.070 8.636 29.289 1300 HD2 HIS 76 HD2 HIS 76 32.419 7.389 30.866 1301 HE1 HIS 76 HE1 HIS 76 34.399 8.729 27.387 1302 HE2 HIS 76 HE2 HIS 76 32.167 7.972 28.335 1303 H HIS 77 HN HIS 77 35.469 6.045 34.027 1304 HA HIS 77 HA HIS 77 36.379 5.860 36.121 1305 1HB HIS 77 HB2 HIS 77 38.927 5.226 34.601 1306 2HB HIS 77 HB1 HIS 77 38.612 4.881 36.297 1307 HD1 HIS 77 HD1 HIS 77 36.220 4.351 33.390 1308 HD2 HIS 77 HD2 HIS 77 38.319 2.117 36.215 1309 HE1 HIS 77 HE1 HIS 77 35.425 1.959 33.145 1310 HE2 HIS 77 HE2 HIS 77 36.695 0.584 34.861 1311 H HIS 78 HN HIS 78 37.252 7.198 37.658 1312 HA HIS 78 HA HIS 78 38.039 9.830 36.831 1313 1HB HIS 78 HB2 HIS 78 38.024 8.514 39.560 1314 2HB HIS 78 HB1 HIS 78 38.308 10.230 39.270 1315 HD1 HIS 78 HD1 HIS 78 35.619 7.689 39.492 1316 HD2 HIS 78 HD2 HIS 78 35.990 11.636 38.203 1317 HE1 HIS 78 HE1 HIS 78 33.264 8.589 39.254 1318 HE2 HIS 78 HE2 HIS 78 33.473 10.995 38.468 1319 H HIS 79 HN HIS 79 40.027 10.885 37.310 1320 HA HIS 79 HA HIS 79 42.329 9.398 36.616 1321 1HB HIS 79 HB2 HIS 79 42.083 12.137 37.884 1322 2HB HIS 79 HB1 HIS 79 43.563 11.475 37.191 1323 HD1 HIS 79 HD1 HIS 79 40.143 12.724 36.234 1324 HD2 HIS 79 HD2 HIS 79 43.631 11.427 34.353 1325 HE1 HIS 79 HE1 HIS 79 39.883 13.284 33.777 1326 HE2 HIS 79 HE2 HIS 79 42.002 12.499 32.618 1327 H HIS 80 HN HIS 80 43.939 8.503 37.813 1328 HA HIS 80 HA HIS 80 44.904 7.463 39.624 1329 1HB HIS 80 HB2 HIS 80 44.130 10.105 40.889 1330 2HB HIS 80 HB1 HIS 80 45.220 8.928 41.621 1331 HD1 HIS 80 HD1 HIS 80 44.977 11.362 38.762 1332 HD2 HIS 80 HD2 HIS 80 47.797 8.791 40.439 1333 HE1 HIS 80 HE1 HIS 80 47.194 11.928 37.678 1334 HE2 HIS 80 HE2 HIS 80 48.924 10.369 38.690 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -6.846 3.558 -0.792 2 2H MET 1 HT2 MET 1 -5.819 3.250 -2.110 3 3H MET 1 HT3 MET 1 -5.421 4.456 -0.980 4 HA MET 1 HA MET 1 -5.527 2.482 0.705 5 1HB MET 1 HB2 MET 1 -6.298 0.928 -1.131 6 2HB MET 1 HB1 MET 1 -4.715 1.121 -1.882 7 1HG MET 1 HG2 MET 1 -4.618 -0.886 -0.562 8 2HG MET 1 HG1 MET 1 -3.698 0.333 0.314 9 1HE MET 1 HE1 MET 1 -3.912 -1.475 2.146 10 2HE MET 1 HE2 MET 1 -5.170 -2.481 1.431 11 3HE MET 1 HE3 MET 1 -5.379 -1.847 3.061 12 H SER 2 HN SER 2 -3.746 3.780 -2.017 13 HA SER 2 HA SER 2 -1.509 4.485 -0.368 14 1HB SER 2 HB2 SER 2 -0.931 2.141 -0.644 15 2HB SER 2 HB1 SER 2 -1.157 2.255 -2.386 16 HG SER 2 HG SER 2 0.849 3.366 -0.749 17 H GLU 3 HN GLU 3 -2.551 6.411 -1.443 18 HA GLU 3 HA GLU 3 -1.854 6.802 -4.268 19 1HB GLU 3 HB2 GLU 3 -3.275 8.555 -2.248 20 2HB GLU 3 HB1 GLU 3 -2.984 9.009 -3.927 21 1HG GLU 3 HG2 GLU 3 -4.270 7.069 -4.703 22 2HG GLU 3 HG1 GLU 3 -4.518 6.547 -3.038 23 H LEU 4 HN LEU 4 0.449 6.676 -3.967 24 HA LEU 4 HA LEU 4 1.903 8.448 -2.297 25 1HB LEU 4 HB2 LEU 4 2.849 7.197 -4.883 26 2HB LEU 4 HB1 LEU 4 3.838 7.719 -3.517 27 HG LEU 4 HG LEU 4 1.805 5.468 -3.497 28 1HD1 LEU 4 HD11 LEU 4 3.795 4.033 -3.181 29 2HD1 LEU 4 HD12 LEU 4 4.834 5.450 -3.336 30 3HD1 LEU 4 HD13 LEU 4 3.863 4.915 -4.707 31 1HD2 LEU 4 HD21 LEU 4 2.948 5.042 -1.196 32 2HD2 LEU 4 HD22 LEU 4 1.761 6.334 -1.300 33 3HD2 LEU 4 HD23 LEU 4 3.482 6.722 -1.309 34 H PHE 5 HN PHE 5 0.378 8.804 -5.379 35 HA PHE 5 HA PHE 5 1.858 10.918 -6.468 36 1HB PHE 5 HB2 PHE 5 0.116 9.679 -7.704 37 2HB PHE 5 HB1 PHE 5 -1.122 10.413 -6.687 38 HD1 PHE 5 HD2 PHE 5 1.544 11.120 -9.177 39 HD2 PHE 5 HD1 PHE 5 -1.869 12.672 -7.081 40 HE1 PHE 5 HE2 PHE 5 1.531 13.103 -10.667 41 HE2 PHE 5 HE1 PHE 5 -1.883 14.654 -8.571 42 HZ PHE 5 HZ PHE 5 -0.183 14.870 -10.364 43 H SER 6 HN SER 6 -0.930 10.940 -4.267 44 HA SER 6 HA SER 6 -0.980 13.817 -4.075 45 1HB SER 6 HB2 SER 6 -2.880 13.525 -2.764 46 2HB SER 6 HB1 SER 6 -2.883 12.012 -3.659 47 HG SER 6 HG SER 6 -1.554 11.223 -1.812 48 H VAL 7 HN VAL 7 0.218 15.064 -2.800 49 HA VAL 7 HA VAL 7 2.299 14.077 -1.192 50 HB VAL 7 HB VAL 7 0.958 16.775 -1.197 51 1HG1 VAL 7 HG11 VAL 7 1.980 16.686 0.928 52 2HG1 VAL 7 HG12 VAL 7 3.173 17.483 -0.093 53 3HG1 VAL 7 HG13 VAL 7 3.358 15.781 0.314 54 1HG2 VAL 7 HG21 VAL 7 3.545 15.823 -2.433 55 2HG2 VAL 7 HG22 VAL 7 2.921 17.474 -2.482 56 3HG2 VAL 7 HG23 VAL 7 2.051 16.180 -3.300 57 HA PRO 8 HA PRO 8 -0.852 15.238 2.474 58 1HB PRO 8 HB2 PRO 8 -3.121 13.779 1.132 59 2HB PRO 8 HB1 PRO 8 -3.178 15.141 2.269 60 1HG PRO 8 HG2 PRO 8 -3.557 15.473 -0.368 61 2HG PRO 8 HG1 PRO 8 -2.752 16.699 0.629 62 1HD PRO 8 HD2 PRO 8 -1.562 14.878 -1.385 63 2HD PRO 8 HD1 PRO 8 -0.967 16.421 -0.798 64 H TYR 9 HN TYR 9 -0.799 12.386 0.390 65 HA TYR 9 HA TYR 9 -1.387 10.419 2.302 66 1HB TYR 9 HB2 TYR 9 -1.287 9.941 -0.103 67 2HB TYR 9 HB1 TYR 9 0.448 10.245 -0.107 68 HD1 TYR 9 HD1 TYR 9 -2.218 8.037 1.250 69 HD2 TYR 9 HD2 TYR 9 2.003 8.559 0.640 70 HE1 TYR 9 HE1 TYR 9 -1.829 5.683 1.929 71 HE2 TYR 9 HE2 TYR 9 2.390 6.206 1.319 72 HH TYR 9 HH TYR 9 0.399 3.925 1.276 73 H PHE 10 HN PHE 10 1.694 11.915 1.382 74 HA PHE 10 HA PHE 10 3.313 10.321 3.089 75 1HB PHE 10 HB2 PHE 10 3.704 12.468 1.212 76 2HB PHE 10 HB1 PHE 10 4.527 12.925 2.699 77 HD1 PHE 10 HD2 PHE 10 4.172 10.191 0.177 78 HD2 PHE 10 HD1 PHE 10 6.591 11.874 3.302 79 HE1 PHE 10 HE2 PHE 10 6.010 8.628 -0.402 80 HE2 PHE 10 HE1 PHE 10 8.427 10.313 2.722 81 HZ PHE 10 HZ PHE 10 8.137 8.689 0.874 82 H ILE 11 HN ILE 11 1.828 13.514 3.490 83 HA ILE 11 HA ILE 11 2.913 14.006 6.051 84 HB ILE 11 HB ILE 11 0.335 15.061 4.876 85 1HG1 ILE 11 HG12 ILE 11 3.173 16.142 4.697 86 2HG1 ILE 11 HG11 ILE 11 2.281 15.403 3.373 87 1HG2 ILE 11 HG21 ILE 11 2.191 16.282 6.941 88 2HG2 ILE 11 HG22 ILE 11 0.696 15.440 7.346 89 3HG2 ILE 11 HG23 ILE 11 0.643 16.915 6.402 90 1HD1 ILE 11 HD11 ILE 11 0.496 17.180 3.725 91 2HD1 ILE 11 HD12 ILE 11 2.039 17.773 3.109 92 3HD1 ILE 11 HD13 ILE 11 1.630 17.982 4.813 93 H GLU 12 HN GLU 12 -0.276 12.779 5.050 94 HA GLU 12 HA GLU 12 -1.504 12.454 7.498 95 1HB GLU 12 HB2 GLU 12 -1.579 10.779 4.987 96 2HB GLU 12 HB1 GLU 12 -2.572 10.357 6.381 97 1HG GLU 12 HG2 GLU 12 -3.697 12.504 6.299 98 2HG GLU 12 HG1 GLU 12 -2.616 13.077 5.037 99 H ASN 13 HN ASN 13 0.901 10.299 5.997 100 HA ASN 13 HA ASN 13 0.820 8.143 7.736 101 1HB ASN 13 HB2 ASN 13 3.310 9.411 6.572 102 2HB ASN 13 HB1 ASN 13 3.139 7.744 7.117 103 1HD2 ASN 13 HD21 ASN 13 3.886 8.233 4.438 104 2HD2 ASN 13 HD22 ASN 13 2.599 7.813 3.416 105 H LEU 14 HN LEU 14 2.114 11.357 8.231 106 HA LEU 14 HA LEU 14 3.592 10.770 10.617 107 1HB LEU 14 HB2 LEU 14 2.508 13.467 9.782 108 2HB LEU 14 HB1 LEU 14 3.925 13.123 10.773 109 HG LEU 14 HG LEU 14 3.696 12.253 7.876 110 1HD1 LEU 14 HD11 LEU 14 5.145 14.674 8.918 111 2HD1 LEU 14 HD12 LEU 14 3.594 14.747 8.129 112 3HD1 LEU 14 HD13 LEU 14 5.004 14.159 7.253 113 1HD2 LEU 14 HD21 LEU 14 5.351 10.986 9.112 114 2HD2 LEU 14 HD22 LEU 14 6.012 12.458 9.824 115 3HD2 LEU 14 HD23 LEU 14 6.191 12.151 8.099 116 H LYS 15 HN LYS 15 0.368 12.048 9.909 117 HA LYS 15 HA LYS 15 -0.399 12.783 12.462 118 1HB LYS 15 HB2 LYS 15 -1.711 13.229 10.404 119 2HB LYS 15 HB1 LYS 15 -2.166 11.525 10.359 120 1HG LYS 15 HG2 LYS 15 -3.281 11.707 12.504 121 2HG LYS 15 HG1 LYS 15 -2.710 13.361 12.712 122 1HD LYS 15 HD2 LYS 15 -3.998 14.046 10.716 123 2HD LYS 15 HD1 LYS 15 -4.581 12.391 10.533 124 1HE LYS 15 HE2 LYS 15 -6.264 13.731 11.704 125 2HE LYS 15 HE1 LYS 15 -5.595 12.523 12.801 126 1HZ LYS 15 HZ1 LYS 15 -4.834 14.108 14.128 127 2HZ LYS 15 HZ2 LYS 15 -5.688 15.243 13.197 128 3HZ LYS 15 HZ3 LYS 15 -4.059 14.910 12.851 129 H GLN 16 HN GLN 16 -0.241 9.616 10.959 130 HA GLN 16 HA GLN 16 -1.698 8.169 12.913 131 1HB GLN 16 HB2 GLN 16 -1.141 7.284 10.662 132 2HB GLN 16 HB1 GLN 16 0.553 7.188 11.142 133 1HG GLN 16 HG2 GLN 16 0.026 5.597 12.898 134 2HG GLN 16 HG1 GLN 16 -1.703 5.789 12.608 135 1HE2 GLN 16 HE21 GLN 16 -0.374 3.237 12.416 136 2HE2 GLN 16 HE22 GLN 16 -0.443 2.738 10.795 137 H HIS 17 HN HIS 17 1.558 9.400 12.812 138 HA HIS 17 HA HIS 17 2.602 7.714 14.884 139 1HB HIS 17 HB2 HIS 17 3.563 10.436 13.976 140 2HB HIS 17 HB1 HIS 17 4.472 9.271 14.924 141 HD1 HIS 17 HD1 HIS 17 2.631 7.266 12.674 142 HD2 HIS 17 HD2 HIS 17 6.019 9.658 12.248 143 HE1 HIS 17 HE1 HIS 17 3.813 6.468 10.582 144 HE2 HIS 17 HE2 HIS 17 5.879 7.916 10.308 145 H ILE 18 HN ILE 18 1.526 11.122 14.855 146 HA ILE 18 HA ILE 18 1.704 11.371 17.714 147 HB ILE 18 HB ILE 18 0.796 13.578 17.397 148 1HG1 ILE 18 HG12 ILE 18 -0.019 12.524 14.676 149 2HG1 ILE 18 HG11 ILE 18 -1.084 13.131 15.930 150 1HG2 ILE 18 HG21 ILE 18 3.150 12.974 16.539 151 2HG2 ILE 18 HG22 ILE 18 2.450 14.467 15.920 152 3HG2 ILE 18 HG23 ILE 18 2.454 13.014 14.920 153 1HD1 ILE 18 HD11 ILE 18 0.778 14.679 14.137 154 2HD1 ILE 18 HD12 ILE 18 0.223 15.365 15.667 155 3HD1 ILE 18 HD13 ILE 18 -0.944 14.931 14.418 156 H GLU 19 HN GLU 19 -0.886 10.750 15.406 157 HA GLU 19 HA GLU 19 -3.073 10.997 17.184 158 1HB GLU 19 HB2 GLU 19 -3.297 10.917 14.722 159 2HB GLU 19 HB1 GLU 19 -2.842 9.217 14.742 160 1HG GLU 19 HG2 GLU 19 -5.250 9.327 14.642 161 2HG GLU 19 HG1 GLU 19 -4.836 8.807 16.269 162 H MET 20 HN MET 20 -1.114 8.193 16.247 163 HA MET 20 HA MET 20 -2.302 6.649 18.494 164 1HB MET 20 HB2 MET 20 -2.786 5.653 16.318 165 2HB MET 20 HB1 MET 20 -1.073 5.678 15.907 166 1HG MET 20 HG2 MET 20 -0.542 4.022 17.521 167 2HG MET 20 HG1 MET 20 -2.054 4.259 18.396 168 1HE MET 20 HE1 MET 20 -2.084 4.122 14.391 169 2HE MET 20 HE2 MET 20 -1.627 2.429 14.215 170 3HE MET 20 HE3 MET 20 -0.537 3.547 15.026 171 H ASN 21 HN ASN 21 0.696 6.607 16.547 172 HA ASN 21 HA ASN 21 2.893 6.759 17.202 173 1HB ASN 21 HB2 ASN 21 1.818 8.170 19.207 174 2HB ASN 21 HB1 ASN 21 2.206 6.738 20.139 175 1HD2 ASN 21 HD21 ASN 21 4.309 6.578 20.904 176 2HD2 ASN 21 HD22 ASN 21 5.605 7.532 20.369 177 H GLN 22 HN GLN 22 1.691 4.374 16.591 178 HA GLN 22 HA GLN 22 1.834 2.340 18.463 179 1HB GLN 22 HB2 GLN 22 0.876 2.053 16.214 180 2HB GLN 22 HB1 GLN 22 2.490 2.166 15.513 181 1HG GLN 22 HG2 GLN 22 3.196 0.144 16.642 182 2HG GLN 22 HG1 GLN 22 1.703 0.087 17.575 183 1HE2 GLN 22 HE21 GLN 22 2.581 -2.065 15.836 184 2HE2 GLN 22 HE22 GLN 22 1.447 -2.197 14.580 185 H SER 23 HN SER 23 4.368 3.808 16.511 186 HA SER 23 HA SER 23 6.419 2.810 18.315 187 1HB SER 23 HB2 SER 23 6.478 1.986 15.401 188 2HB SER 23 HB1 SER 23 7.711 1.643 16.611 189 HG SER 23 HG SER 23 6.309 -0.120 16.381 190 H GLU 24 HN GLU 24 6.028 5.322 18.264 191 HA GLU 24 HA GLU 24 8.318 6.438 16.888 192 1HB GLU 24 HB2 GLU 24 6.315 6.457 15.235 193 2HB GLU 24 HB1 GLU 24 5.650 7.714 16.262 194 1HG GLU 24 HG2 GLU 24 6.851 9.031 14.732 195 2HG GLU 24 HG1 GLU 24 8.078 8.803 15.974 196 H ASP 25 HN ASP 25 6.539 9.052 17.173 197 HA ASP 25 HA ASP 25 6.387 9.381 20.053 198 1HB ASP 25 HB2 ASP 25 8.513 10.828 18.452 199 2HB ASP 25 HB1 ASP 25 8.029 11.255 20.093 200 H LYS 26 HN LYS 26 5.790 11.664 20.600 201 HA LYS 26 HA LYS 26 3.629 12.491 18.919 202 1HB LYS 26 HB2 LYS 26 3.647 12.723 21.400 203 2HB LYS 26 HB1 LYS 26 4.874 13.974 21.252 204 1HG LYS 26 HG2 LYS 26 3.330 15.329 19.872 205 2HG LYS 26 HG1 LYS 26 2.109 14.061 19.992 206 1HD LYS 26 HD2 LYS 26 2.095 14.328 22.459 207 2HD LYS 26 HD1 LYS 26 3.290 15.618 22.318 208 1HE LYS 26 HE2 LYS 26 1.727 16.939 20.957 209 2HE LYS 26 HE1 LYS 26 0.533 15.646 21.057 210 1HZ LYS 26 HZ1 LYS 26 1.666 16.782 23.522 211 2HZ LYS 26 HZ2 LYS 26 0.162 16.033 23.276 212 3HZ LYS 26 HZ3 LYS 26 0.430 17.613 22.711 213 H ILE 27 HN ILE 27 5.558 15.087 20.137 214 HA ILE 27 HA ILE 27 5.581 16.450 17.677 215 HB ILE 27 HB ILE 27 5.807 17.471 19.953 216 1HG1 ILE 27 HG12 ILE 27 7.510 19.186 19.230 217 2HG1 ILE 27 HG11 ILE 27 7.913 18.155 17.867 218 1HG2 ILE 27 HG21 ILE 27 8.741 16.722 19.761 219 2HG2 ILE 27 HG22 ILE 27 7.585 15.755 20.677 220 3HG2 ILE 27 HG23 ILE 27 7.888 17.430 21.131 221 1HD1 ILE 27 HD11 ILE 27 5.031 18.900 18.258 222 2HD1 ILE 27 HD12 ILE 27 5.920 18.613 16.764 223 3HD1 ILE 27 HD13 ILE 27 6.130 20.124 17.642 224 H HIS 28 HN HIS 28 8.064 14.513 19.302 225 HA HIS 28 HA HIS 28 10.100 14.963 17.368 226 1HB HIS 28 HB2 HIS 28 9.755 12.677 19.317 227 2HB HIS 28 HB1 HIS 28 11.236 13.076 18.454 228 HD1 HIS 28 HD1 HIS 28 12.296 15.483 19.026 229 HD2 HIS 28 HD2 HIS 28 9.334 14.160 21.644 230 HE1 HIS 28 HE1 HIS 28 12.491 16.912 21.108 231 HE2 HIS 28 HE2 HIS 28 10.691 16.117 22.714 232 H ALA 29 HN ALA 29 7.307 13.925 16.536 233 HA ALA 29 HA ALA 29 7.535 11.337 15.482 234 1HB ALA 29 HB1 ALA 29 5.884 13.749 14.709 235 2HB ALA 29 HB2 ALA 29 5.356 12.271 15.512 236 3HB ALA 29 HB3 ALA 29 5.774 12.238 13.803 237 H MET 30 HN MET 30 8.119 14.499 13.922 238 HA MET 30 HA MET 30 9.014 13.430 11.482 239 1HB MET 30 HB2 MET 30 9.873 16.027 12.778 240 2HB MET 30 HB1 MET 30 9.890 15.659 11.063 241 1HG MET 30 HG2 MET 30 7.479 15.974 12.844 242 2HG MET 30 HG1 MET 30 7.933 16.973 11.475 243 1HE MET 30 HE1 MET 30 8.432 15.946 9.188 244 2HE MET 30 HE2 MET 30 7.448 14.722 8.425 245 3HE MET 30 HE3 MET 30 8.841 14.254 9.377 246 H ASN 31 HN ASN 31 10.806 14.400 14.390 247 HA ASN 31 HA ASN 31 13.402 14.144 13.531 248 1HB ASN 31 HB2 ASN 31 12.317 13.056 16.139 249 2HB ASN 31 HB1 ASN 31 13.985 13.529 15.819 250 1HD2 ASN 31 HD21 ASN 31 12.643 15.833 14.097 251 2HD2 ASN 31 HD22 ASN 31 12.288 17.001 15.276 252 H SER 32 HN SER 32 11.100 11.559 14.214 253 HA SER 32 HA SER 32 13.111 9.469 13.750 254 1HB SER 32 HB2 SER 32 10.203 9.479 14.520 255 2HB SER 32 HB1 SER 32 11.017 7.987 14.045 256 HG SER 32 HG SER 32 11.936 7.970 15.923 257 H TYR 33 HN TYR 33 9.940 10.346 12.338 258 HA TYR 33 HA TYR 33 10.130 8.678 10.076 259 1HB TYR 33 HB2 TYR 33 8.000 9.654 10.825 260 2HB TYR 33 HB1 TYR 33 8.595 11.272 10.450 261 HD1 TYR 33 HD2 TYR 33 9.089 11.913 8.096 262 HD2 TYR 33 HD1 TYR 33 7.204 8.179 9.069 263 HE1 TYR 33 HE2 TYR 33 8.376 11.647 5.737 264 HE2 TYR 33 HE1 TYR 33 6.488 7.922 6.706 265 HH TYR 33 HH TYR 33 7.527 8.918 4.358 266 H TYR 34 HN TYR 34 10.711 12.188 10.374 267 HA TYR 34 HA TYR 34 11.482 12.761 7.794 268 1HB TYR 34 HB2 TYR 34 11.282 14.329 9.819 269 2HB TYR 34 HB1 TYR 34 12.945 13.902 10.188 270 HD1 TYR 34 HD1 TYR 34 10.705 15.621 7.830 271 HD2 TYR 34 HD2 TYR 34 14.786 14.599 8.707 272 HE1 TYR 34 HE1 TYR 34 11.481 17.245 6.124 273 HE2 TYR 34 HE2 TYR 34 15.560 16.232 7.007 274 HH TYR 34 HH TYR 34 14.956 17.650 5.421 275 H ARG 35 HN ARG 35 13.580 11.623 10.447 276 HA ARG 35 HA ARG 35 15.933 11.444 8.870 277 1HB ARG 35 HB2 ARG 35 15.157 10.049 11.440 278 2HB ARG 35 HB1 ARG 35 16.777 10.048 10.753 279 1HG ARG 35 HG2 ARG 35 15.266 12.581 11.463 280 2HG ARG 35 HG1 ARG 35 16.382 11.783 12.565 281 1HD ARG 35 HD2 ARG 35 18.126 11.982 10.672 282 2HD ARG 35 HD1 ARG 35 17.000 13.104 9.914 283 HE ARG 35 HE ARG 35 17.560 13.779 12.662 284 1HH1 ARG 35 HH21 ARG 35 18.611 13.971 9.372 285 2HH1 ARG 35 HH22 ARG 35 19.544 15.412 9.606 286 1HH2 ARG 35 HH11 ARG 35 18.785 15.669 12.980 287 2HH2 ARG 35 HH12 ARG 35 19.642 16.373 11.650 288 H SER 36 HN SER 36 13.223 9.322 9.388 289 HA SER 36 HA SER 36 14.422 6.915 8.531 290 1HB SER 36 HB2 SER 36 12.134 7.263 9.666 291 2HB SER 36 HB1 SER 36 11.522 7.606 8.052 292 HG SER 36 HG SER 36 11.528 5.550 7.719 293 H VAL 37 HN VAL 37 12.632 9.428 6.758 294 HA VAL 37 HA VAL 37 12.901 8.133 4.204 295 HB VAL 37 HB VAL 37 12.420 11.063 4.767 296 1HG1 VAL 37 HG11 VAL 37 11.187 10.903 2.571 297 2HG1 VAL 37 HG12 VAL 37 11.894 9.299 2.370 298 3HG1 VAL 37 HG13 VAL 37 12.937 10.721 2.457 299 1HG2 VAL 37 HG21 VAL 37 10.767 9.783 5.991 300 2HG2 VAL 37 HG22 VAL 37 10.502 8.713 4.613 301 3HG2 VAL 37 HG23 VAL 37 9.990 10.397 4.533 302 H VAL 38 HN VAL 38 14.486 11.031 5.582 303 HA VAL 38 HA VAL 38 16.275 11.484 3.519 304 HB VAL 38 HB VAL 38 16.791 11.823 6.480 305 1HG1 VAL 38 HG11 VAL 38 18.123 12.978 4.008 306 2HG1 VAL 38 HG12 VAL 38 18.881 12.014 5.274 307 3HG1 VAL 38 HG13 VAL 38 18.337 13.652 5.622 308 1HG2 VAL 38 HG21 VAL 38 14.711 12.933 5.490 309 2HG2 VAL 38 HG22 VAL 38 15.795 13.854 4.465 310 3HG2 VAL 38 HG23 VAL 38 15.880 14.030 6.211 311 H SER 39 HN SER 39 16.714 9.377 6.363 312 HA SER 39 HA SER 39 19.318 8.524 5.855 313 1HB SER 39 HB2 SER 39 18.677 6.461 7.108 314 2HB SER 39 HB1 SER 39 18.191 7.949 7.916 315 HG SER 39 HG SER 39 16.674 5.925 6.908 316 H THR 40 HN THR 40 16.340 6.750 4.952 317 HA THR 40 HA THR 40 17.720 4.933 3.247 318 HB THR 40 HB THR 40 14.775 5.591 3.202 319 HG1 THR 40 HG1 THR 40 15.640 5.067 5.298 320 1HG2 THR 40 HG21 THR 40 16.372 3.128 2.434 321 2HG2 THR 40 HG22 THR 40 15.525 4.211 1.328 322 3HG2 THR 40 HG23 THR 40 14.611 3.217 2.463 323 H LEU 41 HN LEU 41 15.761 7.810 2.657 324 HA LEU 41 HA LEU 41 15.713 7.750 -0.119 325 1HB LEU 41 HB2 LEU 41 14.339 9.316 1.173 326 2HB LEU 41 HB1 LEU 41 15.790 10.160 1.698 327 HG LEU 41 HG LEU 41 16.285 10.845 -0.533 328 1HD1 LEU 41 HD11 LEU 41 13.971 9.073 -1.294 329 2HD1 LEU 41 HD12 LEU 41 15.605 9.102 -1.968 330 3HD1 LEU 41 HD13 LEU 41 14.486 10.394 -2.345 331 1HD2 LEU 41 HD21 LEU 41 14.728 12.181 0.825 332 2HD2 LEU 41 HD22 LEU 41 13.378 11.375 0.041 333 3HD2 LEU 41 HD23 LEU 41 14.472 12.393 -0.903 334 H VAL 42 HN VAL 42 18.265 8.631 2.062 335 HA VAL 42 HA VAL 42 19.934 9.646 -0.165 336 HB VAL 42 HB VAL 42 20.345 9.777 2.832 337 1HG1 VAL 42 HG11 VAL 42 22.517 9.669 1.824 338 2HG1 VAL 42 HG12 VAL 42 22.210 11.375 2.139 339 3HG1 VAL 42 HG13 VAL 42 22.032 10.733 0.505 340 1HG2 VAL 42 HG21 VAL 42 19.809 11.994 0.821 341 2HG2 VAL 42 HG22 VAL 42 19.858 12.140 2.579 342 3HG2 VAL 42 HG23 VAL 42 18.547 11.254 1.804 343 H GLN 43 HN GLN 43 19.696 7.100 2.248 344 HA GLN 43 HA GLN 43 22.297 5.982 1.605 345 1HB GLN 43 HB2 GLN 43 21.290 5.793 3.867 346 2HB GLN 43 HB1 GLN 43 20.020 4.781 3.194 347 1HG GLN 43 HG2 GLN 43 21.580 3.054 2.611 348 2HG GLN 43 HG1 GLN 43 22.957 4.105 2.931 349 1HE2 GLN 43 HE21 GLN 43 23.937 3.115 4.709 350 2HE2 GLN 43 HE22 GLN 43 23.131 2.721 6.150 351 H ASP 44 HN ASP 44 19.478 6.104 -0.067 352 HA ASP 44 HA ASP 44 20.178 3.715 -1.625 353 1HB ASP 44 HB2 ASP 44 18.403 3.056 0.036 354 2HB ASP 44 HB1 ASP 44 17.341 4.253 -0.701 355 H GLN 45 HN GLN 45 18.992 3.667 -3.692 356 HA GLN 45 HA GLN 45 18.231 4.639 -5.632 357 1HB GLN 45 HB2 GLN 45 16.478 5.700 -4.205 358 2HB GLN 45 HB1 GLN 45 17.555 7.062 -3.932 359 1HG GLN 45 HG2 GLN 45 17.612 7.588 -6.269 360 2HG GLN 45 HG1 GLN 45 16.675 6.150 -6.660 361 1HE2 GLN 45 HE21 GLN 45 14.495 6.593 -6.964 362 2HE2 GLN 45 HE22 GLN 45 13.639 7.846 -6.207 363 H LEU 46 HN LEU 46 19.329 7.593 -4.003 364 HA LEU 46 HA LEU 46 20.841 9.189 -4.745 365 1HB LEU 46 HB2 LEU 46 22.409 6.615 -4.849 366 2HB LEU 46 HB1 LEU 46 23.163 8.201 -5.002 367 HG LEU 46 HG LEU 46 21.347 7.656 -2.645 368 1HD1 LEU 46 HD11 LEU 46 22.855 5.760 -2.566 369 2HD1 LEU 46 HD12 LEU 46 23.411 6.927 -1.370 370 3HD1 LEU 46 HD13 LEU 46 24.243 6.787 -2.915 371 1HD2 LEU 46 HD21 LEU 46 23.884 9.313 -2.934 372 2HD2 LEU 46 HD22 LEU 46 22.791 9.311 -1.555 373 3HD2 LEU 46 HD23 LEU 46 22.257 9.962 -3.095 374 H THR 47 HN THR 47 19.127 8.419 -6.819 375 HA THR 47 HA THR 47 20.590 7.757 -9.187 376 HB THR 47 HB THR 47 18.185 7.264 -8.892 377 HG1 THR 47 HG1 THR 47 19.025 8.949 -10.993 378 1HG2 THR 47 HG21 THR 47 16.547 9.015 -8.995 379 2HG2 THR 47 HG22 THR 47 17.789 10.231 -9.269 380 3HG2 THR 47 HG23 THR 47 17.675 9.437 -7.708 381 H LYS 48 HN LYS 48 19.574 10.714 -7.620 382 HA LYS 48 HA LYS 48 21.500 12.264 -9.051 383 1HB LYS 48 HB2 LYS 48 19.589 11.976 -10.719 384 2HB LYS 48 HB1 LYS 48 18.613 12.939 -9.625 385 1HG LYS 48 HG2 LYS 48 19.438 14.618 -11.010 386 2HG LYS 48 HG1 LYS 48 20.667 14.628 -9.752 387 1HD LYS 48 HD2 LYS 48 22.038 13.064 -11.153 388 2HD LYS 48 HD1 LYS 48 20.820 13.192 -12.417 389 1HE LYS 48 HE2 LYS 48 21.189 15.610 -12.550 390 2HE LYS 48 HE1 LYS 48 22.379 15.508 -11.249 391 1HZ LYS 48 HZ1 LYS 48 23.710 15.379 -13.090 392 2HZ LYS 48 HZ2 LYS 48 22.560 14.537 -14.014 393 3HZ LYS 48 HZ3 LYS 48 23.430 13.732 -12.797 394 H ASN 49 HN ASN 49 22.054 14.001 -7.862 395 HA ASN 49 HA ASN 49 21.178 14.413 -5.277 396 1HB ASN 49 HB2 ASN 49 22.217 16.553 -7.132 397 2HB ASN 49 HB1 ASN 49 22.237 16.588 -5.369 398 1HD2 ASN 49 HD21 ASN 49 22.848 13.573 -5.383 399 2HD2 ASN 49 HD22 ASN 49 24.506 13.495 -5.739 400 H ALA 50 HN ALA 50 20.087 16.100 -8.231 401 HA ALA 50 HA ALA 50 18.279 17.861 -6.984 402 1HB ALA 50 HB1 ALA 50 17.959 16.595 -9.717 403 2HB ALA 50 HB2 ALA 50 18.980 17.994 -9.379 404 3HB ALA 50 HB3 ALA 50 17.234 18.103 -9.160 405 H VAL 51 HN VAL 51 17.723 14.608 -8.343 406 HA VAL 51 HA VAL 51 14.971 14.401 -7.896 407 HB VAL 51 HB VAL 51 17.164 12.335 -7.882 408 1HG1 VAL 51 HG11 VAL 51 15.171 10.656 -8.037 409 2HG1 VAL 51 HG12 VAL 51 14.228 11.929 -7.272 410 3HG1 VAL 51 HG13 VAL 51 15.632 11.250 -6.445 411 1HG2 VAL 51 HG21 VAL 51 16.312 11.780 -10.055 412 2HG2 VAL 51 HG22 VAL 51 16.351 13.536 -10.003 413 3HG2 VAL 51 HG23 VAL 51 14.827 12.680 -9.781 414 H VAL 52 HN VAL 52 17.636 13.704 -5.650 415 HA VAL 52 HA VAL 52 15.793 13.015 -3.513 416 HB VAL 52 HB VAL 52 17.866 12.893 -2.111 417 1HG1 VAL 52 HG11 VAL 52 17.034 10.951 -3.424 418 2HG1 VAL 52 HG12 VAL 52 18.795 10.947 -3.295 419 3HG1 VAL 52 HG13 VAL 52 18.020 11.476 -4.788 420 1HG2 VAL 52 HG21 VAL 52 19.170 13.653 -4.720 421 2HG2 VAL 52 HG22 VAL 52 20.049 13.016 -3.349 422 3HG2 VAL 52 HG23 VAL 52 19.253 14.580 -3.237 423 H LEU 53 HN LEU 53 17.985 15.707 -4.269 424 HA LEU 53 HA LEU 53 17.546 17.209 -1.948 425 1HB LEU 53 HB2 LEU 53 19.184 17.577 -4.011 426 2HB LEU 53 HB1 LEU 53 17.911 18.632 -4.579 427 HG LEU 53 HG LEU 53 19.493 19.936 -3.323 428 1HD1 LEU 53 HD11 LEU 53 18.024 21.018 -1.821 429 2HD1 LEU 53 HD12 LEU 53 17.180 19.525 -1.428 430 3HD1 LEU 53 HD13 LEU 53 16.965 20.273 -3.014 431 1HD2 LEU 53 HD21 LEU 53 20.021 17.647 -1.860 432 2HD2 LEU 53 HD22 LEU 53 19.093 18.583 -0.698 433 3HD2 LEU 53 HD23 LEU 53 20.555 19.260 -1.408 434 H LYS 54 HN LYS 54 15.950 17.598 -5.120 435 HA LYS 54 HA LYS 54 14.142 19.561 -4.432 436 1HB LYS 54 HB2 LYS 54 12.900 18.932 -6.341 437 2HB LYS 54 HB1 LYS 54 14.556 18.452 -6.712 438 1HG LYS 54 HG2 LYS 54 13.936 16.134 -5.803 439 2HG LYS 54 HG1 LYS 54 12.264 16.665 -5.833 440 1HD LYS 54 HD2 LYS 54 14.118 16.605 -8.228 441 2HD LYS 54 HD1 LYS 54 12.836 15.443 -7.888 442 1HE LYS 54 HE2 LYS 54 11.236 17.449 -7.841 443 2HE LYS 54 HE1 LYS 54 12.552 18.366 -8.578 444 1HZ LYS 54 HZ1 LYS 54 11.343 17.556 -10.359 445 2HZ LYS 54 HZ2 LYS 54 11.110 16.031 -9.647 446 3HZ LYS 54 HZ3 LYS 54 12.641 16.471 -10.239 447 H ARG 55 HN ARG 55 13.927 16.077 -3.919 448 HA ARG 55 HA ARG 55 11.273 16.028 -2.956 449 1HB ARG 55 HB2 ARG 55 12.527 14.024 -3.743 450 2HB ARG 55 HB1 ARG 55 13.540 14.125 -2.306 451 1HG ARG 55 HG2 ARG 55 11.703 13.673 -0.846 452 2HG ARG 55 HG1 ARG 55 10.520 13.931 -2.127 453 1HD ARG 55 HD2 ARG 55 12.575 11.718 -2.167 454 2HD ARG 55 HD1 ARG 55 10.932 11.509 -1.589 455 HE ARG 55 HE ARG 55 10.798 12.633 -4.148 456 1HH1 ARG 55 HH21 ARG 55 11.886 9.750 -2.575 457 2HH1 ARG 55 HH22 ARG 55 11.589 8.728 -3.941 458 1HH2 ARG 55 HH11 ARG 55 10.403 11.298 -5.943 459 2HH2 ARG 55 HH12 ARG 55 10.750 9.604 -5.848 460 H ILE 56 HN ILE 56 14.408 16.463 -1.369 461 HA ILE 56 HA ILE 56 13.490 16.327 1.290 462 HB ILE 56 HB ILE 56 15.818 17.830 0.079 463 1HG1 ILE 56 HG12 ILE 56 15.885 15.378 -0.109 464 2HG1 ILE 56 HG11 ILE 56 17.155 15.981 0.919 465 1HG2 ILE 56 HG21 ILE 56 15.419 18.953 2.133 466 2HG2 ILE 56 HG22 ILE 56 16.714 17.803 2.458 467 3HG2 ILE 56 HG23 ILE 56 15.064 17.441 2.972 468 1HD1 ILE 56 HD11 ILE 56 14.743 14.364 1.596 469 2HD1 ILE 56 HD12 ILE 56 15.342 15.470 2.818 470 3HD1 ILE 56 HD13 ILE 56 16.393 14.209 2.182 471 H GLN 57 HN GLN 57 14.037 19.181 -0.786 472 HA GLN 57 HA GLN 57 13.179 21.139 0.979 473 1HB GLN 57 HB2 GLN 57 12.847 20.996 -2.028 474 2HB GLN 57 HB1 GLN 57 12.587 22.453 -1.067 475 1HG GLN 57 HG2 GLN 57 14.944 22.221 -0.208 476 2HG GLN 57 HG1 GLN 57 15.169 20.891 -1.348 477 1HE2 GLN 57 HE21 GLN 57 16.647 21.946 -2.782 478 2HE2 GLN 57 HE22 GLN 57 16.233 23.312 -3.691 479 H HIS 58 HN HIS 58 11.273 19.077 -1.184 480 HA HIS 58 HA HIS 58 8.770 20.306 -0.651 481 1HB HIS 58 HB2 HIS 58 8.821 18.973 -2.604 482 2HB HIS 58 HB1 HIS 58 9.617 17.637 -1.777 483 HD1 HIS 58 HD1 HIS 58 8.099 16.394 0.096 484 HD2 HIS 58 HD2 HIS 58 6.030 18.750 -2.650 485 HE1 HIS 58 HE1 HIS 58 5.678 15.693 0.237 486 HE2 HIS 58 HE2 HIS 58 4.395 17.122 -1.430 487 H LEU 59 HN LEU 59 10.412 17.454 0.722 488 HA LEU 59 HA LEU 59 8.406 16.565 2.410 489 1HB LEU 59 HB2 LEU 59 10.621 15.450 1.984 490 2HB LEU 59 HB1 LEU 59 11.350 16.606 3.093 491 HG LEU 59 HG LEU 59 9.750 15.836 4.871 492 1HD1 LEU 59 HD11 LEU 59 8.835 13.403 4.290 493 2HD1 LEU 59 HD12 LEU 59 8.838 14.031 2.650 494 3HD1 LEU 59 HD13 LEU 59 7.896 14.836 3.905 495 1HD2 LEU 59 HD21 LEU 59 10.968 13.810 5.395 496 2HD2 LEU 59 HD22 LEU 59 12.079 14.951 4.644 497 3HD2 LEU 59 HD23 LEU 59 11.438 13.603 3.705 498 H ASP 60 HN ASP 60 10.353 19.408 2.630 499 HA ASP 60 HA ASP 60 10.295 19.937 5.363 500 1HB ASP 60 HB2 ASP 60 11.519 21.253 3.597 501 2HB ASP 60 HB1 ASP 60 9.981 22.004 3.176 502 H GLU 61 HN GLU 61 7.914 20.837 2.861 503 HA GLU 61 HA GLU 61 6.098 22.236 4.419 504 1HB GLU 61 HB2 GLU 61 4.562 21.925 2.676 505 2HB GLU 61 HB1 GLU 61 6.109 21.684 1.868 506 1HG GLU 61 HG2 GLU 61 5.769 19.158 2.368 507 2HG GLU 61 HG1 GLU 61 4.103 19.578 2.745 508 H ALA 62 HN ALA 62 6.723 18.802 4.311 509 HA ALA 62 HA ALA 62 4.324 17.953 5.576 510 1HB ALA 62 HB1 ALA 62 6.128 16.587 4.266 511 2HB ALA 62 HB2 ALA 62 5.339 15.829 5.642 512 3HB ALA 62 HB3 ALA 62 6.959 16.497 5.817 513 H TYR 63 HN TYR 63 7.643 18.145 6.893 514 HA TYR 63 HA TYR 63 7.002 17.766 9.544 515 1HB TYR 63 HB2 TYR 63 9.266 17.985 9.761 516 2HB TYR 63 HB1 TYR 63 9.331 18.478 8.076 517 HD1 TYR 63 HD2 TYR 63 8.978 19.676 11.566 518 HD2 TYR 63 HD1 TYR 63 9.734 20.798 7.502 519 HE1 TYR 63 HE2 TYR 63 9.582 21.970 12.311 520 HE2 TYR 63 HE1 TYR 63 10.335 23.085 8.233 521 HH TYR 63 HH TYR 63 11.185 23.918 11.156 522 H ASN 64 HN ASN 64 6.952 20.725 7.636 523 HA ASN 64 HA ASN 64 6.507 22.527 9.773 524 1HB ASN 64 HB2 ASN 64 5.981 22.657 6.798 525 2HB ASN 64 HB1 ASN 64 5.569 23.995 7.871 526 1HD2 ASN 64 HD21 ASN 64 8.037 22.859 5.903 527 2HD2 ASN 64 HD22 ASN 64 9.342 23.665 6.630 528 H LYS 65 HN LYS 65 4.450 20.385 7.980 529 HA LYS 65 HA LYS 65 1.992 21.655 8.757 530 1HB LYS 65 HB2 LYS 65 2.432 20.083 6.730 531 2HB LYS 65 HB1 LYS 65 2.240 18.772 7.888 532 1HG LYS 65 HG2 LYS 65 0.014 19.013 7.199 533 2HG LYS 65 HG1 LYS 65 0.020 20.130 8.552 534 1HD LYS 65 HD2 LYS 65 0.552 21.982 6.925 535 2HD LYS 65 HD1 LYS 65 0.356 20.820 5.617 536 1HE LYS 65 HE2 LYS 65 -1.764 21.536 7.661 537 2HE LYS 65 HE1 LYS 65 -1.724 22.091 5.987 538 1HZ LYS 65 HZ1 LYS 65 -1.597 19.602 5.445 539 2HZ LYS 65 HZ2 LYS 65 -3.098 20.257 5.898 540 3HZ LYS 65 HZ3 LYS 65 -2.179 19.371 7.021 541 H VAL 66 HN VAL 66 3.937 18.946 9.922 542 HA VAL 66 HA VAL 66 2.078 17.992 11.817 543 HB VAL 66 HB VAL 66 5.118 17.803 11.821 544 1HG1 VAL 66 HG11 VAL 66 3.017 16.406 13.493 545 2HG1 VAL 66 HG12 VAL 66 4.377 17.376 14.058 546 3HG1 VAL 66 HG13 VAL 66 4.668 15.808 13.309 547 1HG2 VAL 66 HG21 VAL 66 2.888 16.088 10.688 548 2HG2 VAL 66 HG22 VAL 66 4.454 15.402 11.086 549 3HG2 VAL 66 HG23 VAL 66 4.338 16.687 9.882 550 H LYS 67 HN LYS 67 4.858 20.157 12.208 551 HA LYS 67 HA LYS 67 4.449 20.677 14.945 552 1HB LYS 67 HB2 LYS 67 5.682 22.462 12.855 553 2HB LYS 67 HB1 LYS 67 5.922 22.561 14.593 554 1HG LYS 67 HG2 LYS 67 6.458 19.826 13.725 555 2HG LYS 67 HG1 LYS 67 7.365 20.930 12.731 556 1HD LYS 67 HD2 LYS 67 8.323 21.959 14.791 557 2HD LYS 67 HD1 LYS 67 7.385 20.830 15.760 558 1HE LYS 67 HE2 LYS 67 8.563 18.940 14.642 559 2HE LYS 67 HE1 LYS 67 9.580 20.114 13.807 560 1HZ LYS 67 HZ1 LYS 67 10.859 20.223 15.589 561 2HZ LYS 67 HZ2 LYS 67 9.860 19.120 16.410 562 3HZ LYS 67 HZ3 LYS 67 9.549 20.787 16.508 563 H ARG 68 HN ARG 68 3.431 22.409 12.036 564 HA ARG 68 HA ARG 68 2.225 24.623 13.204 565 1HB ARG 68 HB2 ARG 68 1.743 23.108 10.651 566 2HB ARG 68 HB1 ARG 68 0.704 24.458 11.068 567 1HG ARG 68 HG2 ARG 68 3.707 24.832 11.144 568 2HG ARG 68 HG1 ARG 68 2.866 24.880 9.596 569 1HD ARG 68 HD2 ARG 68 2.106 26.592 11.980 570 2HD ARG 68 HD1 ARG 68 3.129 27.137 10.659 571 HE ARG 68 HE ARG 68 0.735 26.093 9.586 572 1HH1 ARG 68 HH21 ARG 68 1.936 28.716 11.497 573 2HH1 ARG 68 HH22 ARG 68 0.719 29.834 10.980 574 1HH2 ARG 68 HH11 ARG 68 -0.859 27.558 8.893 575 2HH2 ARG 68 HH12 ARG 68 -0.865 29.178 9.505 576 H GLY 69 HN GLY 69 1.086 21.333 12.862 577 1HA GLY 69 HA2 GLY 69 -1.635 21.940 13.637 578 2HA GLY 69 HA1 GLY 69 -0.927 20.345 13.415 579 H GLU 70 HN GLU 70 1.352 21.203 15.209 580 HA GLU 70 HA GLU 70 0.127 20.338 17.715 581 1HB GLU 70 HB2 GLU 70 2.993 20.856 16.880 582 2HB GLU 70 HB1 GLU 70 2.522 20.306 18.487 583 1HG GLU 70 HG2 GLU 70 1.720 18.838 15.964 584 2HG GLU 70 HG1 GLU 70 3.195 18.465 16.837 585 H SER 71 HN SER 71 1.670 21.525 19.606 586 HA SER 71 HA SER 71 0.573 24.251 19.656 587 1HB SER 71 HB2 SER 71 1.950 22.594 21.776 588 2HB SER 71 HB1 SER 71 1.281 24.205 22.030 589 HG SER 71 HG SER 71 -0.748 23.365 21.404 590 H LYS 72 HN LYS 72 2.446 24.262 17.785 591 HA LYS 72 HA LYS 72 4.636 24.862 17.202 592 1HB LYS 72 HB2 LYS 72 3.712 27.102 19.020 593 2HB LYS 72 HB1 LYS 72 4.976 27.225 17.795 594 1HG LYS 72 HG2 LYS 72 3.409 26.835 16.014 595 2HG LYS 72 HG1 LYS 72 2.135 26.394 17.150 596 1HD LYS 72 HD2 LYS 72 1.800 28.691 16.340 597 2HD LYS 72 HD1 LYS 72 2.154 28.689 18.066 598 1HE LYS 72 HE2 LYS 72 4.354 29.505 17.735 599 2HE LYS 72 HE1 LYS 72 4.364 29.048 16.029 600 1HZ LYS 72 HZ1 LYS 72 2.264 30.881 16.779 601 2HZ LYS 72 HZ2 LYS 72 3.313 30.915 15.443 602 3HZ LYS 72 HZ3 LYS 72 3.830 31.511 16.948 603 H LEU 73 HN LEU 73 5.698 26.900 19.482 604 HA LEU 73 HA LEU 73 7.491 24.903 20.709 605 1HB LEU 73 HB2 LEU 73 7.642 27.921 20.921 606 2HB LEU 73 HB1 LEU 73 8.928 26.746 21.209 607 HG LEU 73 HG LEU 73 7.593 27.320 18.547 608 1HD1 LEU 73 HD11 LEU 73 10.419 27.848 19.502 609 2HD1 LEU 73 HD12 LEU 73 9.150 29.067 19.373 610 3HD1 LEU 73 HD13 LEU 73 9.751 28.264 17.924 611 1HD2 LEU 73 HD21 LEU 73 9.557 25.827 17.728 612 2HD2 LEU 73 HD22 LEU 73 8.185 25.015 18.472 613 3HD2 LEU 73 HD23 LEU 73 9.664 25.273 19.400 614 H GLU 74 HN GLU 74 4.558 25.631 21.445 615 HA GLU 74 HA GLU 74 3.291 25.861 23.344 616 1HB GLU 74 HB2 GLU 74 5.806 24.653 24.505 617 2HB GLU 74 HB1 GLU 74 4.293 24.822 25.397 618 1HG GLU 74 HG2 GLU 74 3.137 23.439 23.719 619 2HG GLU 74 HG1 GLU 74 4.633 23.294 22.798 620 H HIS 75 HN HIS 75 5.572 27.906 22.606 621 HA HIS 75 HA HIS 75 6.367 29.903 23.422 622 1HB HIS 75 HB2 HIS 75 3.805 29.698 25.024 623 2HB HIS 75 HB1 HIS 75 4.770 31.163 24.843 624 HD1 HIS 75 HD1 HIS 75 5.253 31.753 22.141 625 HD2 HIS 75 HD2 HIS 75 1.862 29.515 23.076 626 HE1 HIS 75 HE1 HIS 75 3.701 31.936 20.147 627 HE2 HIS 75 HE2 HIS 75 1.629 30.577 20.702 628 H HIS 76 HN HIS 76 6.749 31.150 25.628 629 HA HIS 76 HA HIS 76 7.256 29.403 27.903 630 1HB HIS 76 HB2 HIS 76 9.691 29.935 27.943 631 2HB HIS 76 HB1 HIS 76 9.230 28.930 26.571 632 HD1 HIS 76 HD1 HIS 76 9.486 32.685 27.262 633 HD2 HIS 76 HD2 HIS 76 10.268 29.933 24.229 634 HE1 HIS 76 HE1 HIS 76 10.480 34.001 25.340 635 HE2 HIS 76 HE2 HIS 76 10.961 32.338 23.483 636 H HIS 77 HN HIS 77 6.132 32.163 26.795 637 HA HIS 77 HA HIS 77 5.810 34.285 27.622 638 1HB HIS 77 HB2 HIS 77 4.820 32.931 29.445 639 2HB HIS 77 HB1 HIS 77 6.390 32.895 30.249 640 HD1 HIS 77 HD1 HIS 77 3.859 35.459 28.997 641 HD2 HIS 77 HD2 HIS 77 6.841 35.086 31.886 642 HE1 HIS 77 HE1 HIS 77 3.778 37.575 30.386 643 HE2 HIS 77 HE2 HIS 77 5.590 37.362 32.153 644 H HIS 78 HN HIS 78 7.485 35.489 26.817 645 HA HIS 78 HA HIS 78 10.164 35.362 27.708 646 1HB HIS 78 HB2 HIS 78 10.440 37.502 26.516 647 2HB HIS 78 HB1 HIS 78 9.546 36.335 25.543 648 HD1 HIS 78 HD1 HIS 78 6.874 36.635 25.535 649 HD2 HIS 78 HD2 HIS 78 9.036 39.850 27.075 650 HE1 HIS 78 HE1 HIS 78 5.285 38.608 25.587 651 HE2 HIS 78 HE2 HIS 78 6.589 40.575 26.524 652 H HIS 79 HN HIS 79 11.179 37.602 28.485 653 HA HIS 79 HA HIS 79 9.631 39.017 30.476 654 1HB HIS 79 HB2 HIS 79 11.081 38.312 32.382 655 2HB HIS 79 HB1 HIS 79 10.075 37.004 31.757 656 HD1 HIS 79 HD1 HIS 79 13.476 37.697 32.660 657 HD2 HIS 79 HD2 HIS 79 11.658 35.417 29.681 658 HE1 HIS 79 HE1 HIS 79 15.232 36.071 31.831 659 HE2 HIS 79 HE2 HIS 79 14.140 34.675 30.014 660 H HIS 80 HN HIS 80 10.364 40.749 29.143 661 HA HIS 80 HA HIS 80 11.769 42.460 28.541 662 1HB HIS 80 HB2 HIS 80 11.767 42.714 31.021 663 2HB HIS 80 HB1 HIS 80 13.205 41.696 31.095 664 HD1 HIS 80 HD1 HIS 80 12.125 44.816 29.162 665 HD2 HIS 80 HD2 HIS 80 15.501 43.218 31.015 666 HE1 HIS 80 HE1 HIS 80 13.959 46.547 28.925 667 HE2 HIS 80 HE2 HIS 80 16.024 45.588 30.049 668 1H MET 1 HT1 MET 1 44.987 33.726 13.089 669 2H MET 1 HT2 MET 1 43.754 34.127 14.187 670 3H MET 1 HT3 MET 1 43.429 33.090 12.880 671 HA MET 1 HA MET 1 45.160 31.547 13.860 672 1HB MET 1 HB2 MET 1 44.644 33.448 16.166 673 2HB MET 1 HB1 MET 1 45.379 31.856 16.358 674 1HG MET 1 HG2 MET 1 47.192 32.503 14.814 675 2HG MET 1 HG1 MET 1 46.458 34.095 14.618 676 1HE MET 1 HE1 MET 1 49.155 34.101 15.118 677 2HE MET 1 HE2 MET 1 49.619 34.855 16.640 678 3HE MET 1 HE3 MET 1 48.457 35.658 15.587 679 H SER 2 HN SER 2 42.110 32.742 13.794 680 HA SER 2 HA SER 2 40.749 31.161 15.722 681 1HB SER 2 HB2 SER 2 39.769 32.342 13.111 682 2HB SER 2 HB1 SER 2 38.734 31.655 14.359 683 HG SER 2 HG SER 2 39.964 34.086 14.234 684 H GLU 3 HN GLU 3 40.049 29.102 15.671 685 HA GLU 3 HA GLU 3 41.008 27.358 13.536 686 1HB GLU 3 HB2 GLU 3 39.518 26.818 16.116 687 2HB GLU 3 HB1 GLU 3 40.043 25.557 14.998 688 1HG GLU 3 HG2 GLU 3 42.372 26.277 15.252 689 2HG GLU 3 HG1 GLU 3 41.867 27.580 16.326 690 H LEU 4 HN LEU 4 39.782 26.355 12.021 691 HA LEU 4 HA LEU 4 36.995 26.000 12.156 692 1HB LEU 4 HB2 LEU 4 37.837 28.634 11.336 693 2HB LEU 4 HB1 LEU 4 37.114 27.848 9.940 694 HG LEU 4 HG LEU 4 35.760 27.909 12.655 695 1HD1 LEU 4 HD11 LEU 4 35.496 29.838 10.326 696 2HD1 LEU 4 HD12 LEU 4 36.077 30.219 11.947 697 3HD1 LEU 4 HD13 LEU 4 34.388 29.773 11.698 698 1HD2 LEU 4 HD21 LEU 4 34.956 26.199 11.052 699 2HD2 LEU 4 HD22 LEU 4 34.739 27.445 9.829 700 3HD2 LEU 4 HD23 LEU 4 33.742 27.454 11.282 701 H PHE 5 HN PHE 5 39.854 26.355 10.159 702 HA PHE 5 HA PHE 5 38.933 25.019 7.871 703 1HB PHE 5 HB2 PHE 5 41.040 26.302 7.968 704 2HB PHE 5 HB1 PHE 5 41.738 25.065 9.011 705 HD1 PHE 5 HD2 PHE 5 40.392 25.758 5.622 706 HD2 PHE 5 HD1 PHE 5 42.486 22.950 8.109 707 HE1 PHE 5 HE2 PHE 5 41.000 24.433 3.615 708 HE2 PHE 5 HE1 PHE 5 43.094 21.626 6.102 709 HZ PHE 5 HZ PHE 5 42.351 22.369 3.855 710 H SER 6 HN SER 6 40.507 23.817 10.808 711 HA SER 6 HA SER 6 40.630 21.109 9.977 712 1HB SER 6 HB2 SER 6 41.554 20.723 12.066 713 2HB SER 6 HB1 SER 6 41.738 22.467 12.014 714 HG SER 6 HG SER 6 40.428 21.098 13.792 715 H VAL 7 HN VAL 7 39.078 19.639 9.818 716 HA VAL 7 HA VAL 7 36.365 20.183 10.251 717 HB VAL 7 HB VAL 7 37.282 17.333 10.418 718 1HG1 VAL 7 HG11 VAL 7 34.890 17.979 10.220 719 2HG1 VAL 7 HG12 VAL 7 35.460 16.945 8.913 720 3HG1 VAL 7 HG13 VAL 7 35.242 18.671 8.635 721 1HG2 VAL 7 HG21 VAL 7 37.774 19.133 8.028 722 2HG2 VAL 7 HG22 VAL 7 37.656 17.376 7.891 723 3HG2 VAL 7 HG23 VAL 7 38.933 18.098 8.862 724 HA PRO 8 HA PRO 8 37.075 17.562 14.386 725 1HB PRO 8 HB2 PRO 8 39.619 19.023 15.074 726 2HB PRO 8 HB1 PRO 8 39.127 17.369 15.496 727 1HG PRO 8 HG2 PRO 8 40.903 17.788 13.576 728 2HG PRO 8 HG1 PRO 8 39.650 16.543 13.380 729 1HD PRO 8 HD2 PRO 8 39.796 19.257 12.141 730 2HD PRO 8 HD1 PRO 8 39.177 17.771 11.434 731 H TYR 9 HN TYR 9 37.985 20.909 13.750 732 HA TYR 9 HA TYR 9 37.285 22.039 16.227 733 1HB TYR 9 HB2 TYR 9 38.529 23.311 14.558 734 2HB TYR 9 HB1 TYR 9 37.167 23.237 13.445 735 HD1 TYR 9 HD1 TYR 9 38.370 24.645 16.653 736 HD2 TYR 9 HD2 TYR 9 35.230 24.676 13.711 737 HE1 TYR 9 HE1 TYR 9 37.412 26.679 17.696 738 HE2 TYR 9 HE2 TYR 9 34.280 26.710 14.758 739 HH TYR 9 HH TYR 9 34.862 28.494 16.188 740 H PHE 10 HN PHE 10 35.360 21.435 13.309 741 HA PHE 10 HA PHE 10 32.988 22.643 14.253 742 1HB PHE 10 HB2 PHE 10 33.838 21.348 11.881 743 2HB PHE 10 HB1 PHE 10 32.463 20.399 12.431 744 HD1 PHE 10 HD2 PHE 10 33.518 23.987 12.104 745 HD2 PHE 10 HD1 PHE 10 30.322 21.141 11.724 746 HE1 PHE 10 HE2 PHE 10 32.026 25.775 11.250 747 HE2 PHE 10 HE1 PHE 10 28.836 22.928 10.868 748 HZ PHE 10 HZ PHE 10 29.686 25.242 10.638 749 H ILE 11 HN ILE 11 34.122 19.281 14.327 750 HA ILE 11 HA ILE 11 31.829 18.180 15.513 751 HB ILE 11 HB ILE 11 34.679 17.246 15.888 752 1HG1 ILE 11 HG12 ILE 11 32.684 16.674 13.668 753 2HG1 ILE 11 HG11 ILE 11 34.155 17.620 13.499 754 1HG2 ILE 11 HG21 ILE 11 33.639 15.059 16.200 755 2HG2 ILE 11 HG22 ILE 11 32.048 15.727 15.863 756 3HG2 ILE 11 HG23 ILE 11 32.907 16.185 17.330 757 1HD1 ILE 11 HD11 ILE 11 35.440 15.578 14.281 758 2HD1 ILE 11 HD12 ILE 11 34.670 15.423 12.702 759 3HD1 ILE 11 HD13 ILE 11 33.935 14.672 14.119 760 H GLU 12 HN GLU 12 34.827 19.429 16.964 761 HA GLU 12 HA GLU 12 34.389 18.855 19.635 762 1HB GLU 12 HB2 GLU 12 35.683 21.211 18.259 763 2HB GLU 12 HB1 GLU 12 35.619 21.133 20.017 764 1HG GLU 12 HG2 GLU 12 36.751 18.904 18.299 765 2HG GLU 12 HG1 GLU 12 37.738 20.196 18.979 766 H ASN 13 HN ASN 13 32.907 21.412 17.688 767 HA ASN 13 HA ASN 13 31.733 22.918 19.741 768 1HB ASN 13 HB2 ASN 13 30.554 22.355 17.016 769 2HB ASN 13 HB1 ASN 13 30.198 23.729 18.050 770 1HD2 ASN 13 HD21 ASN 13 33.264 23.635 18.770 771 2HD2 ASN 13 HD22 ASN 13 33.975 24.459 17.467 772 H LEU 14 HN LEU 14 30.749 19.890 18.228 773 HA LEU 14 HA LEU 14 28.137 19.799 19.419 774 1HB LEU 14 HB2 LEU 14 29.850 17.653 18.133 775 2HB LEU 14 HB1 LEU 14 28.235 17.356 18.763 776 HG LEU 14 HG LEU 14 27.328 19.106 17.275 777 1HD1 LEU 14 HD11 LEU 14 30.224 19.440 16.595 778 2HD1 LEU 14 HD12 LEU 14 28.971 20.654 16.801 779 3HD1 LEU 14 HD13 LEU 14 29.046 19.703 15.327 780 1HD2 LEU 14 HD21 LEU 14 28.923 16.870 15.980 781 2HD2 LEU 14 HD22 LEU 14 27.759 17.861 15.096 782 3HD2 LEU 14 HD23 LEU 14 27.217 16.862 16.437 783 H LYS 15 HN LYS 15 31.330 18.588 20.286 784 HA LYS 15 HA LYS 15 30.543 16.933 22.410 785 1HB LYS 15 HB2 LYS 15 33.112 18.500 22.140 786 2HB LYS 15 HB1 LYS 15 32.855 17.072 23.135 787 1HG LYS 15 HG2 LYS 15 32.525 17.076 20.126 788 2HG LYS 15 HG1 LYS 15 34.019 16.623 20.936 789 1HD LYS 15 HD2 LYS 15 32.718 14.864 22.192 790 2HD LYS 15 HD1 LYS 15 31.326 15.245 21.182 791 1HE LYS 15 HE2 LYS 15 32.528 14.638 19.172 792 2HE LYS 15 HE1 LYS 15 34.012 14.381 20.094 793 1HZ LYS 15 HZ1 LYS 15 33.147 12.516 21.124 794 2HZ LYS 15 HZ2 LYS 15 32.555 12.365 19.538 795 3HZ LYS 15 HZ3 LYS 15 31.540 12.930 20.778 796 H GLN 16 HN GLN 16 31.237 20.382 22.244 797 HA GLN 16 HA GLN 16 31.307 20.987 24.967 798 1HB GLN 16 HB2 GLN 16 31.811 22.596 23.162 799 2HB GLN 16 HB1 GLN 16 30.093 22.663 22.763 800 1HG GLN 16 HG2 GLN 16 29.555 23.551 24.954 801 2HG GLN 16 HG1 GLN 16 31.216 23.319 25.502 802 1HE2 GLN 16 HE21 GLN 16 30.690 25.830 25.875 803 2HE2 GLN 16 HE22 GLN 16 31.179 26.846 24.607 804 H HIS 17 HN HIS 17 28.638 20.050 22.968 805 HA HIS 17 HA HIS 17 26.576 21.048 24.735 806 1HB HIS 17 HB2 HIS 17 26.450 18.963 22.557 807 2HB HIS 17 HB1 HIS 17 25.069 19.721 23.325 808 HD1 HIS 17 HD1 HIS 17 26.252 19.974 20.219 809 HD2 HIS 17 HD2 HIS 17 26.193 22.860 23.228 810 HE1 HIS 17 HE1 HIS 17 26.403 22.221 19.063 811 HE2 HIS 17 HE2 HIS 17 26.366 23.990 20.882 812 H ILE 18 HN ILE 18 27.755 17.756 23.959 813 HA ILE 18 HA ILE 18 26.273 16.523 26.075 814 HB ILE 18 HB ILE 18 27.299 14.495 25.398 815 1HG1 ILE 18 HG12 ILE 18 29.550 16.256 24.402 816 2HG1 ILE 18 HG11 ILE 18 29.643 14.980 25.594 817 1HG2 ILE 18 HG21 ILE 18 26.917 14.484 23.046 818 2HG2 ILE 18 HG22 ILE 18 27.458 16.152 22.864 819 3HG2 ILE 18 HG23 ILE 18 25.918 15.810 23.643 820 1HD1 ILE 18 HD11 ILE 18 30.561 13.957 23.706 821 2HD1 ILE 18 HD12 ILE 18 29.455 14.775 22.602 822 3HD1 ILE 18 HD13 ILE 18 28.876 13.446 23.601 823 H GLU 19 HN GLU 19 29.584 17.678 25.720 824 HA GLU 19 HA GLU 19 30.629 16.620 28.128 825 1HB GLU 19 HB2 GLU 19 31.452 18.998 26.447 826 2HB GLU 19 HB1 GLU 19 32.355 18.477 27.862 827 1HG GLU 19 HG2 GLU 19 32.698 16.260 26.856 828 2HG GLU 19 HG1 GLU 19 31.756 16.737 25.446 829 H MET 20 HN MET 20 29.104 19.738 27.385 830 HA MET 20 HA MET 20 28.956 20.327 30.305 831 1HB MET 20 HB2 MET 20 28.895 22.259 27.975 832 2HB MET 20 HB1 MET 20 28.879 22.678 29.684 833 1HG MET 20 HG2 MET 20 31.086 21.656 29.986 834 2HG MET 20 HG1 MET 20 31.112 21.167 28.292 835 1HE MET 20 HE1 MET 20 33.076 22.390 27.235 836 2HE MET 20 HE2 MET 20 33.477 22.387 28.951 837 3HE MET 20 HE3 MET 20 33.728 23.847 27.999 838 H ASN 21 HN ASN 21 27.239 21.281 27.318 839 HA ASN 21 HA ASN 21 25.016 21.073 26.746 840 1HB ASN 21 HB2 ASN 21 25.115 18.991 28.391 841 2HB ASN 21 HB1 ASN 21 24.258 20.059 29.488 842 1HD2 ASN 21 HD21 ASN 21 22.098 19.533 29.414 843 2HD2 ASN 21 HD22 ASN 21 21.216 19.217 28.000 844 H GLN 22 HN GLN 22 26.103 23.417 27.534 845 HA GLN 22 HA GLN 22 24.879 24.736 29.657 846 1HB GLN 22 HB2 GLN 22 25.976 25.724 27.022 847 2HB GLN 22 HB1 GLN 22 25.399 26.823 28.281 848 1HG GLN 22 HG2 GLN 22 27.024 25.905 29.860 849 2HG GLN 22 HG1 GLN 22 27.557 24.729 28.659 850 1HE2 GLN 22 HE21 GLN 22 29.051 27.047 29.983 851 2HE2 GLN 22 HE22 GLN 22 29.666 27.945 28.681 852 H SER 23 HN SER 23 23.857 24.316 26.298 853 HA SER 23 HA SER 23 21.083 24.754 27.027 854 1HB SER 23 HB2 SER 23 22.387 26.630 25.042 855 2HB SER 23 HB1 SER 23 20.694 26.621 25.527 856 HG SER 23 HG SER 23 21.483 27.009 27.696 857 H GLU 24 HN GLU 24 21.503 22.449 26.261 858 HA GLU 24 HA GLU 24 20.454 22.200 23.600 859 1HB GLU 24 HB2 GLU 24 22.987 22.570 23.289 860 2HB GLU 24 HB1 GLU 24 23.195 20.983 24.001 861 1HG GLU 24 HG2 GLU 24 23.127 20.608 21.633 862 2HG GLU 24 HG1 GLU 24 21.545 20.116 22.222 863 H ASP 25 HN ASP 25 22.202 19.495 23.895 864 HA ASP 25 HA ASP 25 20.711 18.121 25.984 865 1HB ASP 25 HB2 ASP 25 20.252 17.479 23.057 866 2HB ASP 25 HB1 ASP 25 19.688 16.499 24.411 867 H LYS 26 HN LYS 26 21.110 15.598 25.467 868 HA LYS 26 HA LYS 26 24.028 15.361 25.441 869 1HB LYS 26 HB2 LYS 26 22.591 14.244 27.158 870 2HB LYS 26 HB1 LYS 26 21.947 13.221 25.886 871 1HG LYS 26 HG2 LYS 26 24.161 12.308 25.429 872 2HG LYS 26 HG1 LYS 26 24.897 13.454 26.550 873 1HD LYS 26 HD2 LYS 26 24.670 11.276 27.642 874 2HD LYS 26 HD1 LYS 26 23.597 12.439 28.414 875 1HE LYS 26 HE2 LYS 26 21.663 11.499 27.384 876 2HE LYS 26 HE1 LYS 26 22.626 10.614 26.199 877 1HZ LYS 26 HZ1 LYS 26 23.278 9.993 28.926 878 2HZ LYS 26 HZ2 LYS 26 22.957 8.951 27.623 879 3HZ LYS 26 HZ3 LYS 26 21.676 9.615 28.521 880 H ILE 27 HN ILE 27 22.155 12.679 24.277 881 HA ILE 27 HA ILE 27 23.792 12.349 21.998 882 HB ILE 27 HB ILE 27 21.103 11.206 22.751 883 1HG1 ILE 27 HG12 ILE 27 23.386 10.620 23.939 884 2HG1 ILE 27 HG11 ILE 27 22.278 9.325 23.518 885 1HG2 ILE 27 HG21 ILE 27 21.633 9.488 20.890 886 2HG2 ILE 27 HG22 ILE 27 22.737 10.708 20.257 887 3HG2 ILE 27 HG23 ILE 27 21.014 11.063 20.388 888 1HD1 ILE 27 HD11 ILE 27 23.585 8.659 21.659 889 2HD1 ILE 27 HD12 ILE 27 24.760 8.992 22.931 890 3HD1 ILE 27 HD13 ILE 27 24.498 10.164 21.643 891 H HIS 28 HN HIS 28 20.558 13.763 22.372 892 HA HIS 28 HA HIS 28 20.070 14.201 19.633 893 1HB HIS 28 HB2 HIS 28 19.062 15.678 22.074 894 2HB HIS 28 HB1 HIS 28 18.413 15.880 20.447 895 HD1 HIS 28 HD1 HIS 28 17.593 13.486 19.312 896 HD2 HIS 28 HD2 HIS 28 17.847 13.627 23.471 897 HE1 HIS 28 HE1 HIS 28 16.202 11.555 20.181 898 HE2 HIS 28 HE2 HIS 28 16.347 11.629 22.715 899 H ALA 29 HN ALA 29 22.552 15.399 21.418 900 HA ALA 29 HA ALA 29 22.675 18.135 20.847 901 1HB ALA 29 HB1 ALA 29 24.269 17.170 22.367 902 2HB ALA 29 HB2 ALA 29 25.171 17.804 20.994 903 3HB ALA 29 HB3 ALA 29 24.874 16.075 21.125 904 H MET 30 HN MET 30 23.956 15.371 18.991 905 HA MET 30 HA MET 30 24.889 16.961 16.834 906 1HB MET 30 HB2 MET 30 25.160 14.846 15.671 907 2HB MET 30 HB1 MET 30 25.728 14.691 17.328 908 1HG MET 30 HG2 MET 30 24.422 12.756 17.143 909 2HG MET 30 HG1 MET 30 23.234 13.883 17.783 910 1HE MET 30 HE1 MET 30 20.942 11.964 15.497 911 2HE MET 30 HE2 MET 30 21.458 12.394 17.126 912 3HE MET 30 HE3 MET 30 22.364 11.191 16.210 913 H ASN 31 HN ASN 31 21.886 15.172 17.456 914 HA ASN 31 HA ASN 31 20.743 15.383 14.923 915 1HB ASN 31 HB2 ASN 31 19.760 14.051 16.736 916 2HB ASN 31 HB1 ASN 31 19.366 15.525 17.618 917 1HD2 ASN 31 HD21 ASN 31 17.098 15.591 17.485 918 2HD2 ASN 31 HD22 ASN 31 16.229 15.541 16.027 919 H SER 32 HN SER 32 20.435 17.631 17.680 920 HA SER 32 HA SER 32 18.895 19.552 16.254 921 1HB SER 32 HB2 SER 32 18.793 19.699 18.612 922 2HB SER 32 HB1 SER 32 20.547 19.651 18.770 923 HG SER 32 HG SER 32 20.667 21.702 17.963 924 H TYR 33 HN TYR 33 22.355 19.465 17.122 925 HA TYR 33 HA TYR 33 23.080 21.839 15.793 926 1HB TYR 33 HB2 TYR 33 24.547 20.791 17.434 927 2HB TYR 33 HB1 TYR 33 24.720 19.366 16.409 928 HD1 TYR 33 HD1 TYR 33 25.991 19.464 14.305 929 HD2 TYR 33 HD2 TYR 33 25.691 22.883 16.886 930 HE1 TYR 33 HE1 TYR 33 27.856 20.555 13.080 931 HE2 TYR 33 HE2 TYR 33 27.561 23.969 15.670 932 HH TYR 33 HH TYR 33 29.042 23.784 14.036 933 H TYR 34 HN TYR 34 23.279 18.444 14.722 934 HA TYR 34 HA TYR 34 24.346 18.886 12.187 935 1HB TYR 34 HB2 TYR 34 24.081 16.638 13.221 936 2HB TYR 34 HB1 TYR 34 22.337 16.758 12.969 937 HD1 TYR 34 HD1 TYR 34 21.416 16.910 10.642 938 HD2 TYR 34 HD2 TYR 34 25.557 16.065 11.422 939 HE1 TYR 34 HE1 TYR 34 21.683 16.076 8.321 940 HE2 TYR 34 HE2 TYR 34 25.824 15.242 9.096 941 HH TYR 34 HH TYR 34 23.056 15.162 6.846 942 H ARG 35 HN ARG 35 20.932 18.702 13.191 943 HA ARG 35 HA ARG 35 19.853 19.184 10.635 944 1HB ARG 35 HB2 ARG 35 18.567 18.240 12.529 945 2HB ARG 35 HB1 ARG 35 18.609 19.821 13.312 946 1HG ARG 35 HG2 ARG 35 17.402 20.832 11.447 947 2HG ARG 35 HG1 ARG 35 17.461 19.316 10.547 948 1HD ARG 35 HD2 ARG 35 15.278 19.509 11.577 949 2HD ARG 35 HD1 ARG 35 16.173 18.234 12.399 950 HE ARG 35 HE ARG 35 16.243 19.559 14.322 951 1HH1 ARG 35 HH21 ARG 35 15.185 21.367 11.567 952 2HH1 ARG 35 HH22 ARG 35 14.698 22.749 12.491 953 1HH2 ARG 35 HH11 ARG 35 15.601 21.365 15.539 954 2HH2 ARG 35 HH12 ARG 35 14.933 22.748 14.738 955 H SER 36 HN SER 36 20.948 21.296 13.222 956 HA SER 36 HA SER 36 19.819 23.707 12.207 957 1HB SER 36 HB2 SER 36 21.204 24.845 13.788 958 2HB SER 36 HB1 SER 36 20.703 23.343 14.557 959 HG SER 36 HG SER 36 23.022 23.939 14.631 960 H VAL 37 HN VAL 37 22.926 22.084 11.737 961 HA VAL 37 HA VAL 37 24.125 24.214 10.244 962 HB VAL 37 HB VAL 37 24.708 21.249 10.442 963 1HG1 VAL 37 HG11 VAL 37 25.546 21.809 8.267 964 2HG1 VAL 37 HG12 VAL 37 26.941 21.885 9.338 965 3HG1 VAL 37 HG13 VAL 37 26.142 23.371 8.823 966 1HG2 VAL 37 HG21 VAL 37 26.064 23.738 11.520 967 2HG2 VAL 37 HG22 VAL 37 26.737 22.118 11.628 968 3HG2 VAL 37 HG23 VAL 37 25.227 22.495 12.450 969 H VAL 38 HN VAL 38 22.999 21.021 9.089 970 HA VAL 38 HA VAL 38 23.096 21.534 6.375 971 HB VAL 38 HB VAL 38 21.436 19.752 6.106 972 1HG1 VAL 38 HG11 VAL 38 22.666 18.005 7.164 973 2HG1 VAL 38 HG12 VAL 38 23.133 19.038 8.510 974 3HG1 VAL 38 HG13 VAL 38 23.844 19.294 6.926 975 1HG2 VAL 38 HG21 VAL 38 19.749 20.267 7.702 976 2HG2 VAL 38 HG22 VAL 38 20.913 20.366 9.019 977 3HG2 VAL 38 HG23 VAL 38 20.485 18.795 8.342 978 H SER 39 HN SER 39 20.464 22.242 8.656 979 HA SER 39 HA SER 39 18.605 23.178 6.756 980 1HB SER 39 HB2 SER 39 17.573 24.364 8.683 981 2HB SER 39 HB1 SER 39 17.927 22.676 9.031 982 HG SER 39 HG SER 39 19.277 25.010 9.866 983 H THR 40 HN THR 40 21.054 24.901 8.678 984 HA THR 40 HA THR 40 20.449 27.482 7.706 985 HB THR 40 HB THR 40 23.082 26.397 8.744 986 HG1 THR 40 HG1 THR 40 22.295 26.825 10.672 987 1HG2 THR 40 HG21 THR 40 23.504 28.464 7.592 988 2HG2 THR 40 HG22 THR 40 23.433 28.848 9.312 989 3HG2 THR 40 HG23 THR 40 22.055 29.207 8.270 990 H LEU 41 HN LEU 41 22.779 25.029 6.632 991 HA LEU 41 HA LEU 41 23.863 26.629 4.521 992 1HB LEU 41 HB2 LEU 41 23.874 23.627 4.913 993 2HB LEU 41 HB1 LEU 41 24.870 24.509 3.759 994 HG LEU 41 HG LEU 41 24.931 24.905 6.763 995 1HD1 LEU 41 HD11 LEU 41 25.804 22.704 6.069 996 2HD1 LEU 41 HD12 LEU 41 27.097 23.740 6.672 997 3HD1 LEU 41 HD13 LEU 41 26.903 23.491 4.938 998 1HD2 LEU 41 HD21 LEU 41 26.397 26.213 4.468 999 2HD2 LEU 41 HD22 LEU 41 27.201 26.048 6.028 1000 3HD2 LEU 41 HD23 LEU 41 25.702 26.954 5.911 1001 H VAL 42 HN VAL 42 21.550 23.918 4.548 1002 HA VAL 42 HA VAL 42 20.999 23.975 1.785 1003 HB VAL 42 HB VAL 42 19.321 23.052 4.128 1004 1HG1 VAL 42 HG11 VAL 42 18.077 21.740 2.311 1005 2HG1 VAL 42 HG12 VAL 42 18.815 22.843 1.150 1006 3HG1 VAL 42 HG13 VAL 42 17.733 23.466 2.396 1007 1HG2 VAL 42 HG21 VAL 42 21.537 21.893 3.566 1008 2HG2 VAL 42 HG22 VAL 42 20.802 21.421 2.036 1009 3HG2 VAL 42 HG23 VAL 42 20.113 20.856 3.560 1010 H GLN 43 HN GLN 43 20.105 26.123 4.309 1011 HA GLN 43 HA GLN 43 17.950 27.322 2.670 1012 1HB GLN 43 HB2 GLN 43 17.484 26.701 5.058 1013 2HB GLN 43 HB1 GLN 43 18.650 27.931 5.544 1014 1HG GLN 43 HG2 GLN 43 17.311 29.686 4.577 1015 2HG GLN 43 HG1 GLN 43 16.264 28.532 3.764 1016 1HE2 GLN 43 HE21 GLN 43 14.986 30.357 5.319 1017 2HE2 GLN 43 HE22 GLN 43 14.463 29.668 6.779 1018 H ASP 44 HN ASP 44 21.134 27.575 2.819 1019 HA ASP 44 HA ASP 44 21.092 30.406 2.045 1020 1HB ASP 44 HB2 ASP 44 21.591 30.320 4.501 1021 2HB ASP 44 HB1 ASP 44 23.017 29.355 4.130 1022 H GLN 45 HN GLN 45 23.302 31.052 1.205 1023 HA GLN 45 HA GLN 45 24.762 30.686 -0.588 1024 1HB GLN 45 HB2 GLN 45 26.574 29.112 0.009 1025 2HB GLN 45 HB1 GLN 45 26.162 30.188 1.339 1026 1HG GLN 45 HG2 GLN 45 24.912 28.420 2.463 1027 2HG GLN 45 HG1 GLN 45 25.082 27.352 1.070 1028 1HE2 GLN 45 HE21 GLN 45 27.200 29.199 3.346 1029 2HE2 GLN 45 HE22 GLN 45 28.367 27.971 3.453 1030 H LEU 46 HN LEU 46 22.378 29.632 -1.332 1031 HA LEU 46 HA LEU 46 22.579 26.850 -2.070 1032 1HB LEU 46 HB2 LEU 46 20.661 29.097 -2.674 1033 2HB LEU 46 HB1 LEU 46 20.514 27.561 -3.522 1034 HG LEU 46 HG LEU 46 20.711 27.551 -0.502 1035 1HD1 LEU 46 HD11 LEU 46 18.941 29.171 -0.927 1036 2HD1 LEU 46 HD12 LEU 46 18.205 27.649 -0.424 1037 3HD1 LEU 46 HD13 LEU 46 18.206 28.108 -2.127 1038 1HD2 LEU 46 HD21 LEU 46 20.776 25.414 -1.818 1039 2HD2 LEU 46 HD22 LEU 46 19.202 25.813 -2.491 1040 3HD2 LEU 46 HD23 LEU 46 19.369 25.505 -0.771 1041 H THR 47 HN THR 47 24.868 28.068 -2.930 1042 HA THR 47 HA THR 47 24.825 29.026 -5.560 1043 HB THR 47 HB THR 47 26.792 29.302 -4.195 1044 HG1 THR 47 HG1 THR 47 27.898 27.484 -5.886 1045 1HG2 THR 47 HG21 THR 47 28.133 27.434 -3.440 1046 2HG2 THR 47 HG22 THR 47 27.075 26.296 -4.259 1047 3HG2 THR 47 HG23 THR 47 26.486 27.194 -2.870 1048 H LYS 48 HN LYS 48 25.053 25.754 -4.252 1049 HA LYS 48 HA LYS 48 23.930 24.605 -6.608 1050 1HB LYS 48 HB2 LYS 48 26.323 25.051 -7.303 1051 2HB LYS 48 HB1 LYS 48 26.820 23.922 -6.051 1052 1HG LYS 48 HG2 LYS 48 26.708 22.503 -7.906 1053 2HG LYS 48 HG1 LYS 48 25.101 22.284 -7.230 1054 1HD LYS 48 HD2 LYS 48 24.238 24.015 -8.812 1055 2HD LYS 48 HD1 LYS 48 25.853 24.154 -9.498 1056 1HE LYS 48 HE2 LYS 48 25.791 21.774 -10.132 1057 2HE LYS 48 HE1 LYS 48 24.176 21.631 -9.433 1058 1HZ LYS 48 HZ1 LYS 48 25.031 23.124 -11.821 1059 2HZ LYS 48 HZ2 LYS 48 23.634 23.592 -10.975 1060 3HZ LYS 48 HZ3 LYS 48 23.742 22.036 -11.646 1061 H ASN 49 HN ASN 49 22.977 22.724 -6.116 1062 HA ASN 49 HA ASN 49 22.666 21.806 -3.524 1063 1HB ASN 49 HB2 ASN 49 22.566 20.111 -6.028 1064 2HB ASN 49 HB1 ASN 49 21.781 19.753 -4.491 1065 1HD2 ASN 49 HD21 ASN 49 21.185 22.765 -4.204 1066 2HD2 ASN 49 HD22 ASN 49 19.839 23.008 -5.209 1067 H ALA 50 HN ALA 50 25.099 20.877 -5.919 1068 HA ALA 50 HA ALA 50 26.188 18.683 -4.531 1069 1HB ALA 50 HB1 ALA 50 26.710 19.219 -6.898 1070 2HB ALA 50 HB2 ALA 50 28.166 19.001 -5.928 1071 3HB ALA 50 HB3 ALA 50 27.628 20.625 -6.356 1072 H VAL 51 HN VAL 51 27.217 22.103 -4.601 1073 HA VAL 51 HA VAL 51 29.359 21.980 -2.850 1074 HB VAL 51 HB VAL 51 27.313 24.146 -3.315 1075 1HG1 VAL 51 HG11 VAL 51 28.069 24.647 -1.097 1076 2HG1 VAL 51 HG12 VAL 51 29.040 25.664 -2.153 1077 3HG1 VAL 51 HG13 VAL 51 29.729 24.186 -1.482 1078 1HG2 VAL 51 HG21 VAL 51 30.256 23.984 -4.031 1079 2HG2 VAL 51 HG22 VAL 51 29.096 25.181 -4.599 1080 3HG2 VAL 51 HG23 VAL 51 28.959 23.504 -5.122 1081 H VAL 52 HN VAL 52 25.907 22.119 -2.111 1082 HA VAL 52 HA VAL 52 26.384 22.240 0.742 1083 HB VAL 52 HB VAL 52 23.757 21.588 -0.619 1084 1HG1 VAL 52 HG11 VAL 52 24.392 23.035 1.959 1085 2HG1 VAL 52 HG12 VAL 52 24.009 21.317 1.868 1086 3HG1 VAL 52 HG13 VAL 52 22.811 22.514 1.390 1087 1HG2 VAL 52 HG21 VAL 52 25.096 24.266 -0.116 1088 2HG2 VAL 52 HG22 VAL 52 23.396 24.075 -0.541 1089 3HG2 VAL 52 HG23 VAL 52 24.648 23.586 -1.677 1090 H LEU 53 HN LEU 53 25.338 19.823 -1.610 1091 HA LEU 53 HA LEU 53 24.692 17.758 0.126 1092 1HB LEU 53 HB2 LEU 53 24.353 17.772 -2.356 1093 2HB LEU 53 HB1 LEU 53 26.074 17.447 -2.538 1094 HG LEU 53 HG LEU 53 25.809 15.366 -1.192 1095 1HD1 LEU 53 HD11 LEU 53 23.255 14.593 -1.114 1096 2HD1 LEU 53 HD12 LEU 53 22.966 16.331 -1.037 1097 3HD1 LEU 53 HD13 LEU 53 23.954 15.544 0.195 1098 1HD2 LEU 53 HD21 LEU 53 24.723 14.067 -2.957 1099 2HD2 LEU 53 HD22 LEU 53 25.706 15.343 -3.671 1100 3HD2 LEU 53 HD23 LEU 53 23.954 15.523 -3.590 1101 H LYS 54 HN LYS 54 27.833 18.363 -1.440 1102 HA LYS 54 HA LYS 54 29.282 16.288 -0.333 1103 1HB LYS 54 HB2 LYS 54 31.232 17.479 -0.944 1104 2HB LYS 54 HB1 LYS 54 30.004 18.108 -2.042 1105 1HG LYS 54 HG2 LYS 54 29.625 19.978 -0.391 1106 2HG LYS 54 HG1 LYS 54 31.033 19.421 0.496 1107 1HD LYS 54 HD2 LYS 54 32.390 19.683 -1.576 1108 2HD LYS 54 HD1 LYS 54 30.981 20.393 -2.358 1109 1HE LYS 54 HE2 LYS 54 30.917 22.189 -0.699 1110 2HE LYS 54 HE1 LYS 54 32.259 21.454 0.177 1111 1HZ LYS 54 HZ1 LYS 54 32.723 23.342 -1.485 1112 2HZ LYS 54 HZ2 LYS 54 32.549 22.135 -2.669 1113 3HZ LYS 54 HZ3 LYS 54 33.744 21.988 -1.470 1114 H ARG 55 HN ARG 55 28.568 19.474 1.053 1115 HA ARG 55 HA ARG 55 30.122 19.166 3.402 1116 1HB ARG 55 HB2 ARG 55 27.736 20.921 2.770 1117 2HB ARG 55 HB1 ARG 55 28.624 21.012 4.289 1118 1HG ARG 55 HG2 ARG 55 30.710 21.464 3.020 1119 2HG ARG 55 HG1 ARG 55 29.787 21.436 1.520 1120 1HD ARG 55 HD2 ARG 55 30.025 23.748 2.177 1121 2HD ARG 55 HD1 ARG 55 28.351 23.287 2.468 1122 HE ARG 55 HE ARG 55 29.821 22.815 4.822 1123 1HH1 ARG 55 HH21 ARG 55 28.746 25.406 2.796 1124 2HH1 ARG 55 HH22 ARG 55 28.660 26.561 4.084 1125 1HH2 ARG 55 HH11 ARG 55 29.715 24.324 6.515 1126 2HH2 ARG 55 HH12 ARG 55 29.209 25.948 6.190 1127 H ILE 56 HN ILE 56 26.685 18.578 2.707 1128 HA ILE 56 HA ILE 56 25.956 17.813 5.321 1129 HB ILE 56 HB ILE 56 24.810 16.979 2.637 1130 1HG1 ILE 56 HG12 ILE 56 23.774 19.063 4.588 1131 2HG1 ILE 56 HG11 ILE 56 24.857 19.468 3.276 1132 1HG2 ILE 56 HG21 ILE 56 23.743 16.697 5.466 1133 2HG2 ILE 56 HG22 ILE 56 24.027 15.406 4.299 1134 3HG2 ILE 56 HG23 ILE 56 22.725 16.559 4.033 1135 1HD1 ILE 56 HD11 ILE 56 23.285 18.866 1.633 1136 2HD1 ILE 56 HD12 ILE 56 22.341 19.712 2.847 1137 3HD1 ILE 56 HD13 ILE 56 22.301 17.956 2.775 1138 H GLN 57 HN GLN 57 26.737 15.786 2.480 1139 HA GLN 57 HA GLN 57 26.611 13.297 3.701 1140 1HB GLN 57 HB2 GLN 57 28.453 14.260 1.498 1141 2HB GLN 57 HB1 GLN 57 28.219 12.565 1.928 1142 1HG GLN 57 HG2 GLN 57 25.797 12.796 1.471 1143 2HG GLN 57 HG1 GLN 57 26.057 14.476 1.003 1144 1HE2 GLN 57 HE21 GLN 57 28.799 13.425 -0.157 1145 2HE2 GLN 57 HE22 GLN 57 28.343 12.811 -1.673 1146 H HIS 58 HN HIS 58 29.282 15.614 3.586 1147 HA HIS 58 HA HIS 58 31.131 13.896 4.969 1148 1HB HIS 58 HB2 HIS 58 31.166 16.879 4.428 1149 2HB HIS 58 HB1 HIS 58 32.503 15.973 5.137 1150 HD1 HIS 58 HD1 HIS 58 33.282 17.207 2.579 1151 HD2 HIS 58 HD2 HIS 58 31.267 13.557 2.644 1152 HE1 HIS 58 HE1 HIS 58 33.757 16.082 0.359 1153 HE2 HIS 58 HE2 HIS 58 32.540 13.855 0.388 1154 H LEU 59 HN LEU 59 28.928 16.513 5.868 1155 HA LEU 59 HA LEU 59 29.775 17.012 8.455 1156 1HB LEU 59 HB2 LEU 59 27.952 18.252 7.314 1157 2HB LEU 59 HB1 LEU 59 26.904 16.851 7.515 1158 HG LEU 59 HG LEU 59 27.192 17.020 9.986 1159 1HD1 LEU 59 HD11 LEU 59 29.192 18.095 10.471 1160 2HD1 LEU 59 HD12 LEU 59 28.065 19.428 10.700 1161 3HD1 LEU 59 HD13 LEU 59 28.986 19.301 9.201 1162 1HD2 LEU 59 HD21 LEU 59 26.243 19.609 8.758 1163 2HD2 LEU 59 HD22 LEU 59 25.712 18.889 10.275 1164 3HD2 LEU 59 HD23 LEU 59 25.311 18.117 8.749 1165 H ASP 60 HN ASP 60 27.962 14.281 7.206 1166 HA ASP 60 HA ASP 60 26.905 13.168 9.512 1167 1HB ASP 60 HB2 ASP 60 26.558 12.277 7.229 1168 2HB ASP 60 HB1 ASP 60 28.213 11.672 7.228 1169 H GLU 61 HN GLU 61 30.229 13.325 8.466 1170 HA GLU 61 HA GLU 61 31.383 11.310 10.025 1171 1HB GLU 61 HB2 GLU 61 33.454 12.423 9.673 1172 2HB GLU 61 HB1 GLU 61 32.480 12.771 8.246 1173 1HG GLU 61 HG2 GLU 61 31.760 14.935 9.538 1174 2HG GLU 61 HG1 GLU 61 33.153 14.606 10.561 1175 H ALA 62 HN ALA 62 30.377 14.584 10.879 1176 HA ALA 62 HA ALA 62 31.606 14.634 13.446 1177 1HB ALA 62 HB1 ALA 62 30.222 16.580 13.851 1178 2HB ALA 62 HB2 ALA 62 29.150 16.141 12.519 1179 3HB ALA 62 HB3 ALA 62 30.805 16.651 12.188 1180 H TYR 63 HN TYR 63 28.160 14.289 12.567 1181 HA TYR 63 HA TYR 63 27.133 13.671 15.018 1182 1HB TYR 63 HB2 TYR 63 25.296 13.562 13.676 1183 2HB TYR 63 HB1 TYR 63 26.304 13.321 12.259 1184 HD1 TYR 63 HD1 TYR 63 24.737 11.532 15.142 1185 HD2 TYR 63 HD2 TYR 63 26.452 11.161 11.231 1186 HE1 TYR 63 HE1 TYR 63 24.027 9.165 15.066 1187 HE2 TYR 63 HE2 TYR 63 25.748 8.784 11.150 1188 HH TYR 63 HH TYR 63 24.475 7.164 13.973 1189 H ASN 64 HN ASN 64 28.682 11.457 12.711 1190 HA ASN 64 HA ASN 64 28.248 9.060 14.122 1191 1HB ASN 64 HB2 ASN 64 28.971 9.127 11.766 1192 2HB ASN 64 HB1 ASN 64 30.528 9.785 12.262 1193 1HD2 ASN 64 HD21 ASN 64 28.599 6.854 12.082 1194 2HD2 ASN 64 HD22 ASN 64 29.809 5.799 12.635 1195 H LYS 65 HN LYS 65 30.830 11.459 14.259 1196 HA LYS 65 HA LYS 65 32.514 10.004 16.009 1197 1HB LYS 65 HB2 LYS 65 33.072 12.082 14.569 1198 2HB LYS 65 HB1 LYS 65 32.376 13.023 15.883 1199 1HG LYS 65 HG2 LYS 65 34.604 12.961 16.592 1200 2HG LYS 65 HG1 LYS 65 34.010 11.510 17.385 1201 1HD LYS 65 HD2 LYS 65 34.785 10.185 15.391 1202 2HD LYS 65 HD1 LYS 65 35.487 11.663 14.741 1203 1HE LYS 65 HE2 LYS 65 36.184 10.476 17.441 1204 2HE LYS 65 HE1 LYS 65 37.150 10.278 15.977 1205 1HZ LYS 65 HZ1 LYS 65 38.091 12.091 17.070 1206 2HZ LYS 65 HZ2 LYS 65 36.582 12.758 17.479 1207 3HZ LYS 65 HZ3 LYS 65 37.122 12.797 15.869 1208 H VAL 66 HN VAL 66 29.848 12.254 16.512 1209 HA VAL 66 HA VAL 66 30.224 12.693 19.262 1210 HB VAL 66 HB VAL 66 27.676 12.687 17.604 1211 1HG1 VAL 66 HG11 VAL 66 26.943 12.406 19.861 1212 2HG1 VAL 66 HG12 VAL 66 26.804 14.130 19.528 1213 3HG1 VAL 66 HG13 VAL 66 28.164 13.521 20.475 1214 1HG2 VAL 66 HG21 VAL 66 29.246 14.369 16.878 1215 2HG2 VAL 66 HG22 VAL 66 29.578 14.858 18.539 1216 3HG2 VAL 66 HG23 VAL 66 28.002 15.172 17.827 1217 H LYS 67 HN LYS 67 28.191 10.310 17.584 1218 HA LYS 67 HA LYS 67 27.294 9.022 19.941 1219 1HB LYS 67 HB2 LYS 67 27.574 7.910 17.153 1220 2HB LYS 67 HB1 LYS 67 26.573 7.256 18.443 1221 1HG LYS 67 HG2 LYS 67 25.837 10.003 18.274 1222 2HG LYS 67 HG1 LYS 67 25.985 9.469 16.608 1223 1HD LYS 67 HD2 LYS 67 24.312 8.169 18.776 1224 2HD LYS 67 HD1 LYS 67 23.699 9.148 17.444 1225 1HE LYS 67 HE2 LYS 67 25.127 7.274 16.038 1226 2HE LYS 67 HE1 LYS 67 24.621 6.312 17.425 1227 1HZ LYS 67 HZ1 LYS 67 22.654 6.128 16.453 1228 2HZ LYS 67 HZ2 LYS 67 23.088 7.218 15.223 1229 3HZ LYS 67 HZ3 LYS 67 22.414 7.793 16.673 1230 H ARG 68 HN ARG 68 29.847 8.205 17.612 1231 HA ARG 68 HA ARG 68 30.725 5.856 18.857 1232 1HB ARG 68 HB2 ARG 68 31.308 6.693 16.525 1233 2HB ARG 68 HB1 ARG 68 32.475 7.770 17.291 1234 1HG ARG 68 HG2 ARG 68 33.620 5.861 18.293 1235 2HG ARG 68 HG1 ARG 68 32.423 4.760 17.617 1236 1HD ARG 68 HD2 ARG 68 34.379 4.735 16.187 1237 2HD ARG 68 HD1 ARG 68 33.064 5.535 15.332 1238 HE ARG 68 HE ARG 68 34.622 7.458 16.730 1239 1HH1 ARG 68 HH21 ARG 68 34.680 5.304 14.021 1240 2HH1 ARG 68 HH22 ARG 68 35.770 6.279 13.093 1241 1HH2 ARG 68 HH11 ARG 68 36.048 8.744 15.516 1242 2HH2 ARG 68 HH12 ARG 68 36.544 8.227 13.939 1243 H GLY 69 HN GLY 69 31.145 9.172 19.670 1244 1HA GLY 69 HA2 GLY 69 33.507 8.809 21.304 1245 2HA GLY 69 HA1 GLY 69 32.523 10.261 21.167 1246 H GLU 70 HN GLU 70 30.040 8.714 21.707 1247 HA GLU 70 HA GLU 70 30.007 9.054 24.551 1248 1HB GLU 70 HB2 GLU 70 28.019 7.916 22.567 1249 2HB GLU 70 HB1 GLU 70 27.675 8.035 24.292 1250 1HG GLU 70 HG2 GLU 70 28.602 10.438 22.703 1251 2HG GLU 70 HG1 GLU 70 26.904 10.002 22.789 1252 H SER 71 HN SER 71 28.216 6.330 23.927 1253 HA SER 71 HA SER 71 28.421 4.122 24.522 1254 1HB SER 71 HB2 SER 71 30.442 4.371 22.896 1255 2HB SER 71 HB1 SER 71 31.417 4.310 24.360 1256 HG SER 71 HG SER 71 29.446 2.426 24.310 1257 H LYS 72 HN LYS 72 31.302 5.670 25.919 1258 HA LYS 72 HA LYS 72 32.120 5.714 28.065 1259 1HB LYS 72 HB2 LYS 72 29.141 5.827 28.624 1260 2HB LYS 72 HB1 LYS 72 30.389 6.132 29.831 1261 1HG LYS 72 HG2 LYS 72 31.277 7.974 28.464 1262 2HG LYS 72 HG1 LYS 72 30.047 7.663 27.239 1263 1HD LYS 72 HD2 LYS 72 28.277 8.143 28.891 1264 2HD LYS 72 HD1 LYS 72 29.507 8.462 30.114 1265 1HE LYS 72 HE2 LYS 72 30.393 10.316 28.783 1266 2HE LYS 72 HE1 LYS 72 29.229 9.978 27.501 1267 1HZ LYS 72 HZ1 LYS 72 27.708 11.153 28.570 1268 2HZ LYS 72 HZ2 LYS 72 28.871 11.587 29.730 1269 3HZ LYS 72 HZ3 LYS 72 27.894 10.220 29.974 1270 H LEU 73 HN LEU 73 31.718 3.117 26.839 1271 HA LEU 73 HA LEU 73 30.530 1.280 28.603 1272 1HB LEU 73 HB2 LEU 73 31.472 1.040 26.134 1273 2HB LEU 73 HB1 LEU 73 32.905 0.468 26.972 1274 HG LEU 73 HG LEU 73 31.518 -1.433 26.457 1275 1HD1 LEU 73 HD11 LEU 73 32.663 -1.241 28.746 1276 2HD1 LEU 73 HD12 LEU 73 31.390 -2.449 28.599 1277 3HD1 LEU 73 HD13 LEU 73 31.054 -0.918 29.398 1278 1HD2 LEU 73 HD21 LEU 73 29.225 -1.518 26.620 1279 2HD2 LEU 73 HD22 LEU 73 29.331 0.236 26.646 1280 3HD2 LEU 73 HD23 LEU 73 29.189 -0.655 28.157 1281 H GLU 74 HN GLU 74 33.961 2.034 28.167 1282 HA GLU 74 HA GLU 74 34.993 0.521 30.233 1283 1HB GLU 74 HB2 GLU 74 36.750 2.499 30.301 1284 2HB GLU 74 HB1 GLU 74 36.628 1.468 28.878 1285 1HG GLU 74 HG2 GLU 74 35.378 3.091 27.661 1286 2HG GLU 74 HG1 GLU 74 35.031 4.035 29.105 1287 H HIS 75 HN HIS 75 35.376 3.906 30.830 1288 HA HIS 75 HA HIS 75 33.496 4.013 33.031 1289 1HB HIS 75 HB2 HIS 75 35.353 2.738 34.037 1290 2HB HIS 75 HB1 HIS 75 36.470 4.030 33.597 1291 HD1 HIS 75 HD1 HIS 75 33.363 3.462 35.716 1292 HD2 HIS 75 HD2 HIS 75 36.536 6.148 35.402 1293 HE1 HIS 75 HE1 HIS 75 33.180 5.023 37.702 1294 HE2 HIS 75 HE2 HIS 75 35.107 6.666 37.525 1295 H HIS 76 HN HIS 76 33.280 6.101 33.894 1296 HA HIS 76 HA HIS 76 34.944 8.266 32.909 1297 1HB HIS 76 HB2 HIS 76 33.331 7.821 31.024 1298 2HB HIS 76 HB1 HIS 76 32.014 8.207 32.132 1299 HD1 HIS 76 HD1 HIS 76 35.298 9.857 31.069 1300 HD2 HIS 76 HD2 HIS 76 31.369 10.885 32.009 1301 HE1 HIS 76 HE1 HIS 76 35.121 12.365 30.765 1302 HE2 HIS 76 HE2 HIS 76 32.733 13.007 31.334 1303 H HIS 77 HN HIS 77 33.759 10.435 33.572 1304 HA HIS 77 HA HIS 77 32.244 10.153 36.066 1305 1HB HIS 77 HB2 HIS 77 33.842 11.561 37.313 1306 2HB HIS 77 HB1 HIS 77 34.579 10.040 36.809 1307 HD1 HIS 77 HD1 HIS 77 36.435 10.139 35.020 1308 HD2 HIS 77 HD2 HIS 77 34.806 13.871 35.916 1309 HE1 HIS 77 HE1 HIS 77 37.950 11.860 33.944 1310 HE2 HIS 77 HE2 HIS 77 36.971 14.141 34.481 1311 H HIS 78 HN HIS 78 31.588 12.300 36.910 1312 HA HIS 78 HA HIS 78 31.467 14.412 34.833 1313 1HB HIS 78 HB2 HIS 78 29.098 13.306 36.360 1314 2HB HIS 78 HB1 HIS 78 29.064 14.716 35.301 1315 HD1 HIS 78 HD1 HIS 78 29.028 11.010 35.269 1316 HD2 HIS 78 HD2 HIS 78 29.519 14.081 32.493 1317 HE1 HIS 78 HE1 HIS 78 28.775 9.955 32.980 1318 HE2 HIS 78 HE2 HIS 78 29.070 11.815 31.277 1319 H HIS 79 HN HIS 79 31.643 16.426 35.601 1320 HA HIS 79 HA HIS 79 32.239 18.075 37.103 1321 1HB HIS 79 HB2 HIS 79 29.939 16.779 38.588 1322 2HB HIS 79 HB1 HIS 79 30.607 18.372 38.945 1323 HD1 HIS 79 HD1 HIS 79 28.536 16.522 36.431 1324 HD2 HIS 79 HD2 HIS 79 29.998 20.384 37.004 1325 HE1 HIS 79 HE1 HIS 79 27.326 18.000 34.768 1326 HE2 HIS 79 HE2 HIS 79 28.207 20.358 35.104 1327 H HIS 80 HN HIS 80 34.194 16.475 37.370 1328 HA HIS 80 HA HIS 80 34.929 16.517 40.122 1329 1HB HIS 80 HB2 HIS 80 33.459 14.522 40.176 1330 2HB HIS 80 HB1 HIS 80 34.448 13.776 38.922 1331 HD1 HIS 80 HD1 HIS 80 34.930 15.279 42.400 1332 HD2 HIS 80 HD2 HIS 80 36.556 12.320 39.953 1333 HE1 HIS 80 HE1 HIS 80 36.697 14.100 43.779 1334 HE2 HIS 80 HE2 HIS 80 37.698 12.293 42.302 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -6.222 6.231 -1.812 2 2H MET 1 HT2 MET 1 -7.652 5.441 -2.277 3 3H MET 1 HT3 MET 1 -6.305 5.448 -3.313 4 HA MET 1 HA MET 1 -5.947 4.342 -0.640 5 1HB MET 1 HB2 MET 1 -8.144 3.502 -2.101 6 2HB MET 1 HB1 MET 1 -6.923 2.380 -2.686 7 1HG MET 1 HG2 MET 1 -7.739 2.838 0.204 8 2HG MET 1 HG1 MET 1 -8.026 1.390 -0.762 9 1HE MET 1 HE1 MET 1 -5.526 -0.239 1.481 10 2HE MET 1 HE2 MET 1 -6.623 -0.648 0.165 11 3HE MET 1 HE3 MET 1 -7.167 0.422 1.455 12 H SER 2 HN SER 2 -4.476 5.646 -2.932 13 HA SER 2 HA SER 2 -2.930 3.605 -4.231 14 1HB SER 2 HB2 SER 2 -2.188 6.516 -3.853 15 2HB SER 2 HB1 SER 2 -1.600 5.411 -5.094 16 HG SER 2 HG SER 2 -3.822 5.247 -5.785 17 H GLU 3 HN GLU 3 -0.886 2.865 -3.761 18 HA GLU 3 HA GLU 3 -0.125 2.859 -0.987 19 1HB GLU 3 HB2 GLU 3 1.907 1.563 -1.967 20 2HB GLU 3 HB1 GLU 3 0.313 0.827 -2.119 21 1HG GLU 3 HG2 GLU 3 0.109 1.538 -4.411 22 2HG GLU 3 HG1 GLU 3 1.556 2.531 -4.298 23 H LEU 4 HN LEU 4 1.160 4.248 0.025 24 HA LEU 4 HA LEU 4 2.479 6.117 0.357 25 1HB LEU 4 HB2 LEU 4 4.122 4.807 -1.819 26 2HB LEU 4 HB1 LEU 4 4.708 5.873 -0.544 27 HG LEU 4 HG LEU 4 3.467 3.134 -0.140 28 1HD1 LEU 4 HD11 LEU 4 6.316 4.141 0.091 29 2HD1 LEU 4 HD12 LEU 4 5.695 3.000 -1.102 30 3HD1 LEU 4 HD13 LEU 4 5.776 2.540 0.599 31 1HD2 LEU 4 HD21 LEU 4 4.441 3.551 2.250 32 2HD2 LEU 4 HD22 LEU 4 2.927 4.339 1.829 33 3HD2 LEU 4 HD23 LEU 4 4.433 5.258 1.801 34 H PHE 5 HN PHE 5 4.260 7.292 -1.640 35 HA PHE 5 HA PHE 5 4.279 8.910 -3.267 36 1HB PHE 5 HB2 PHE 5 3.047 7.083 -4.589 37 2HB PHE 5 HB1 PHE 5 1.554 7.915 -4.172 38 HD1 PHE 5 HD1 PHE 5 1.067 10.179 -5.023 39 HD2 PHE 5 HD2 PHE 5 4.640 8.075 -6.150 40 HE1 PHE 5 HE1 PHE 5 1.422 11.779 -6.885 41 HE2 PHE 5 HE2 PHE 5 4.994 9.676 -8.011 42 HZ PHE 5 HZ PHE 5 3.386 11.527 -8.379 43 H SER 6 HN SER 6 1.016 8.488 -1.908 44 HA SER 6 HA SER 6 0.073 11.078 -2.165 45 1HB SER 6 HB2 SER 6 -1.680 9.909 -1.244 46 2HB SER 6 HB1 SER 6 -0.592 8.697 -0.584 47 HG SER 6 HG SER 6 -1.741 10.896 0.595 48 H VAL 7 HN VAL 7 1.365 12.778 -1.719 49 HA VAL 7 HA VAL 7 3.296 12.996 0.228 50 HB VAL 7 HB VAL 7 1.520 15.364 -0.433 51 1HG1 VAL 7 HG11 VAL 7 3.342 15.678 1.193 52 2HG1 VAL 7 HG12 VAL 7 3.578 16.600 -0.291 53 3HG1 VAL 7 HG13 VAL 7 4.493 15.119 -0.023 54 1HG2 VAL 7 HG21 VAL 7 3.609 14.050 -2.186 55 2HG2 VAL 7 HG22 VAL 7 2.998 15.684 -2.445 56 3HG2 VAL 7 HG23 VAL 7 1.908 14.305 -2.579 57 HA PRO 8 HA PRO 8 -0.133 14.583 3.302 58 1HB PRO 8 HB2 PRO 8 -2.366 12.745 2.454 59 2HB PRO 8 HB1 PRO 8 -2.454 14.426 3.028 60 1HG PRO 8 HG2 PRO 8 -2.808 13.888 0.457 61 2HG PRO 8 HG1 PRO 8 -1.835 15.295 0.938 62 1HD PRO 8 HD2 PRO 8 -0.909 12.590 0.030 63 2HD PRO 8 HD1 PRO 8 -0.315 14.172 -0.470 64 H TYR 9 HN TYR 9 0.393 11.341 2.112 65 HA TYR 9 HA TYR 9 -0.291 9.873 4.439 66 1HB TYR 9 HB2 TYR 9 0.058 8.812 2.224 67 2HB TYR 9 HB1 TYR 9 1.774 9.196 2.325 68 HD1 TYR 9 HD2 TYR 9 -0.965 7.406 4.121 69 HD2 TYR 9 HD1 TYR 9 3.268 7.713 3.452 70 HE1 TYR 9 HE2 TYR 9 -0.606 5.330 5.428 71 HE2 TYR 9 HE1 TYR 9 3.626 5.638 4.755 72 HH TYR 9 HH TYR 9 0.871 3.859 6.170 73 H PHE 10 HN PHE 10 2.820 11.174 3.303 74 HA PHE 10 HA PHE 10 4.505 10.260 5.294 75 1HB PHE 10 HB2 PHE 10 4.440 12.663 3.506 76 2HB PHE 10 HB1 PHE 10 5.539 12.770 4.877 77 HD1 PHE 10 HD1 PHE 10 4.560 9.749 2.881 78 HD2 PHE 10 HD2 PHE 10 7.691 12.513 3.893 79 HE1 PHE 10 HE1 PHE 10 6.202 8.327 1.690 80 HE2 PHE 10 HE2 PHE 10 9.331 11.091 2.704 81 HZ PHE 10 HZ PHE 10 8.596 9.001 1.604 82 H ILE 11 HN ILE 11 2.426 13.151 5.379 83 HA ILE 11 HA ILE 11 3.211 13.959 8.000 84 HB ILE 11 HB ILE 11 0.672 14.603 6.490 85 1HG1 ILE 11 HG12 ILE 11 3.386 15.956 6.517 86 2HG1 ILE 11 HG11 ILE 11 2.696 15.082 5.165 87 1HG2 ILE 11 HG21 ILE 11 2.130 16.054 8.729 88 2HG2 ILE 11 HG22 ILE 11 0.607 15.181 8.902 89 3HG2 ILE 11 HG23 ILE 11 0.676 16.629 7.913 90 1HD1 ILE 11 HD11 ILE 11 1.735 17.672 6.360 91 2HD1 ILE 11 HD12 ILE 11 0.751 16.726 5.246 92 3HD1 ILE 11 HD13 ILE 11 2.300 17.386 4.720 93 H GLU 12 HN GLU 12 0.338 12.303 6.739 94 HA GLU 12 HA GLU 12 -1.122 11.978 9.050 95 1HB GLU 12 HB2 GLU 12 -1.443 11.150 6.494 96 2HB GLU 12 HB1 GLU 12 -0.997 9.601 7.198 97 1HG GLU 12 HG2 GLU 12 -3.263 11.406 8.106 98 2HG GLU 12 HG1 GLU 12 -3.432 9.879 7.239 99 H ASN 13 HN ASN 13 1.863 10.438 8.178 100 HA ASN 13 HA ASN 13 1.705 8.244 10.013 101 1HB ASN 13 HB2 ASN 13 3.223 8.244 8.066 102 2HB ASN 13 HB1 ASN 13 4.131 9.571 8.787 103 1HD2 ASN 13 HD21 ASN 13 3.511 6.113 8.967 104 2HD2 ASN 13 HD22 ASN 13 4.688 5.779 10.145 105 H LEU 14 HN LEU 14 2.905 11.551 10.152 106 HA LEU 14 HA LEU 14 4.217 11.331 12.678 107 1HB LEU 14 HB2 LEU 14 3.066 13.871 11.479 108 2HB LEU 14 HB1 LEU 14 4.487 13.694 12.509 109 HG LEU 14 HG LEU 14 4.224 12.668 9.665 110 1HD1 LEU 14 HD11 LEU 14 4.466 15.174 9.989 111 2HD1 LEU 14 HD12 LEU 14 5.736 14.398 9.041 112 3HD1 LEU 14 HD13 LEU 14 6.039 14.834 10.722 113 1HD2 LEU 14 HD21 LEU 14 5.652 11.165 10.851 114 2HD2 LEU 14 HD22 LEU 14 6.477 12.495 11.670 115 3HD2 LEU 14 HD23 LEU 14 6.675 12.254 9.939 116 H LYS 15 HN LYS 15 1.058 12.604 11.655 117 HA LYS 15 HA LYS 15 0.154 13.413 14.159 118 1HB LYS 15 HB2 LYS 15 -0.878 13.937 11.890 119 2HB LYS 15 HB1 LYS 15 -1.644 12.349 11.966 120 1HG LYS 15 HG2 LYS 15 -2.583 13.033 14.231 121 2HG LYS 15 HG1 LYS 15 -2.002 14.660 13.900 122 1HD LYS 15 HD2 LYS 15 -3.978 13.100 12.204 123 2HD LYS 15 HD1 LYS 15 -4.379 14.423 13.296 124 1HE LYS 15 HE2 LYS 15 -2.837 14.546 10.695 125 2HE LYS 15 HE1 LYS 15 -4.273 15.453 11.160 126 1HZ LYS 15 HZ1 LYS 15 -1.497 15.806 12.116 127 2HZ LYS 15 HZ2 LYS 15 -2.825 16.450 12.959 128 3HZ LYS 15 HZ3 LYS 15 -2.507 16.943 11.364 129 H GLN 16 HN GLN 16 0.364 10.285 12.689 130 HA GLN 16 HA GLN 16 -1.519 8.897 14.266 131 1HB GLN 16 HB2 GLN 16 -0.549 7.946 12.218 132 2HB GLN 16 HB1 GLN 16 1.024 7.858 13.004 133 1HG GLN 16 HG2 GLN 16 0.228 6.268 14.622 134 2HG GLN 16 HG1 GLN 16 -1.438 6.473 14.092 135 1HE2 GLN 16 HE21 GLN 16 -2.104 4.771 12.779 136 2HE2 GLN 16 HE22 GLN 16 -1.101 3.911 11.713 137 H HIS 17 HN HIS 17 1.701 10.032 14.912 138 HA HIS 17 HA HIS 17 2.045 8.336 17.262 139 1HB HIS 17 HB2 HIS 17 3.977 9.096 15.923 140 2HB HIS 17 HB1 HIS 17 3.608 10.765 16.357 141 HD1 HIS 17 HD1 HIS 17 4.990 7.580 17.752 142 HD2 HIS 17 HD2 HIS 17 4.154 11.440 19.086 143 HE1 HIS 17 HE1 HIS 17 6.131 7.824 20.001 144 HE2 HIS 17 HE2 HIS 17 5.646 10.178 20.818 145 H ILE 18 HN ILE 18 1.894 11.895 16.842 146 HA ILE 18 HA ILE 18 1.633 12.604 19.501 147 HB ILE 18 HB ILE 18 0.961 14.744 18.748 148 1HG1 ILE 18 HG12 ILE 18 -0.387 13.348 16.413 149 2HG1 ILE 18 HG11 ILE 18 -1.185 14.203 17.720 150 1HG2 ILE 18 HG21 ILE 18 2.102 13.598 16.171 151 2HG2 ILE 18 HG22 ILE 18 3.083 13.806 17.616 152 3HG2 ILE 18 HG23 ILE 18 2.350 15.207 16.850 153 1HD1 ILE 18 HD11 ILE 18 0.469 15.387 15.488 154 2HD1 ILE 18 HD12 ILE 18 0.081 16.287 16.956 155 3HD1 ILE 18 HD13 ILE 18 -1.214 15.717 15.905 156 H GLU 19 HN GLU 19 -0.851 11.569 17.229 157 HA GLU 19 HA GLU 19 -3.072 12.027 18.969 158 1HB GLU 19 HB2 GLU 19 -3.150 11.852 16.433 159 2HB GLU 19 HB1 GLU 19 -2.956 10.112 16.622 160 1HG GLU 19 HG2 GLU 19 -5.319 10.526 16.448 161 2HG GLU 19 HG1 GLU 19 -5.004 10.153 18.141 162 H MET 20 HN MET 20 -0.895 9.362 18.355 163 HA MET 20 HA MET 20 -2.084 7.872 20.620 164 1HB MET 20 HB2 MET 20 -1.306 6.653 17.946 165 2HB MET 20 HB1 MET 20 -1.812 5.763 19.374 166 1HG MET 20 HG2 MET 20 -3.946 5.917 18.522 167 2HG MET 20 HG1 MET 20 -3.912 7.595 19.046 168 1HE MET 20 HE1 MET 20 -3.638 5.889 14.820 169 2HE MET 20 HE2 MET 20 -4.472 5.234 16.225 170 3HE MET 20 HE3 MET 20 -2.711 5.212 16.167 171 H ASN 21 HN ASN 21 0.096 5.919 19.149 172 HA ASN 21 HA ASN 21 2.610 7.040 19.853 173 1HB ASN 21 HB2 ASN 21 1.655 6.796 22.162 174 2HB ASN 21 HB1 ASN 21 1.476 5.071 21.869 175 1HD2 ASN 21 HD21 ASN 21 3.045 4.407 23.446 176 2HD2 ASN 21 HD22 ASN 21 4.701 4.745 23.278 177 H GLN 22 HN GLN 22 2.562 5.996 17.659 178 HA GLN 22 HA GLN 22 2.597 3.109 17.527 179 1HB GLN 22 HB2 GLN 22 1.915 4.618 15.626 180 2HB GLN 22 HB1 GLN 22 3.603 5.094 15.469 181 1HG GLN 22 HG2 GLN 22 3.190 3.328 13.875 182 2HG GLN 22 HG1 GLN 22 4.180 2.647 15.161 183 1HE2 GLN 22 HE21 GLN 22 3.430 0.481 15.212 184 2HE2 GLN 22 HE22 GLN 22 1.804 0.055 15.455 185 H SER 23 HN SER 23 5.078 5.634 17.078 186 HA SER 23 HA SER 23 7.079 4.525 18.630 187 1HB SER 23 HB2 SER 23 6.840 3.212 15.955 188 2HB SER 23 HB1 SER 23 8.471 3.556 16.523 189 HG SER 23 HG SER 23 6.551 1.799 17.501 190 H GLU 24 HN GLU 24 7.094 6.918 18.728 191 HA GLU 24 HA GLU 24 9.260 8.007 17.219 192 1HB GLU 24 HB2 GLU 24 7.177 8.039 15.612 193 2HB GLU 24 HB1 GLU 24 6.613 9.365 16.602 194 1HG GLU 24 HG2 GLU 24 7.822 10.380 14.801 195 2HG GLU 24 HG1 GLU 24 8.895 10.477 16.197 196 H ASP 25 HN ASP 25 7.563 10.665 17.474 197 HA ASP 25 HA ASP 25 7.512 11.024 20.375 198 1HB ASP 25 HB2 ASP 25 9.414 12.536 18.581 199 2HB ASP 25 HB1 ASP 25 9.037 12.984 20.247 200 H LYS 26 HN LYS 26 7.027 13.450 20.809 201 HA LYS 26 HA LYS 26 4.585 14.018 19.397 202 1HB LYS 26 HB2 LYS 26 4.912 14.460 21.811 203 2HB LYS 26 HB1 LYS 26 6.038 15.752 21.405 204 1HG LYS 26 HG2 LYS 26 4.228 16.885 20.120 205 2HG LYS 26 HG1 LYS 26 3.113 15.590 20.577 206 1HD LYS 26 HD2 LYS 26 3.503 16.135 22.970 207 2HD LYS 26 HD1 LYS 26 4.581 17.445 22.489 208 1HE LYS 26 HE2 LYS 26 2.736 18.554 21.303 209 2HE LYS 26 HE1 LYS 26 1.651 17.235 21.743 210 1HZ LYS 26 HZ1 LYS 26 1.900 17.768 24.041 211 2HZ LYS 26 HZ2 LYS 26 1.498 19.199 23.220 212 3HZ LYS 26 HZ3 LYS 26 3.100 18.921 23.711 213 H ILE 27 HN ILE 27 6.440 16.842 20.066 214 HA ILE 27 HA ILE 27 6.145 17.838 17.421 215 HB ILE 27 HB ILE 27 7.693 18.742 19.853 216 1HG1 ILE 27 HG12 ILE 27 5.121 19.093 19.429 217 2HG1 ILE 27 HG11 ILE 27 6.070 20.443 20.026 218 1HG2 ILE 27 HG21 ILE 27 7.926 19.855 17.051 219 2HG2 ILE 27 HG22 ILE 27 9.219 19.461 18.184 220 3HG2 ILE 27 HG23 ILE 27 8.207 20.879 18.461 221 1HD1 ILE 27 HD11 ILE 27 5.620 20.087 17.053 222 2HD1 ILE 27 HD12 ILE 27 6.039 21.550 17.943 223 3HD1 ILE 27 HD13 ILE 27 4.427 20.864 18.082 224 H HIS 28 HN HIS 28 8.871 16.342 19.129 225 HA HIS 28 HA HIS 28 10.854 16.789 17.211 226 1HB HIS 28 HB2 HIS 28 10.457 14.505 19.142 227 2HB HIS 28 HB1 HIS 28 11.905 14.678 18.162 228 HD1 HIS 28 HD1 HIS 28 10.037 16.243 21.032 229 HD2 HIS 28 HD2 HIS 28 13.637 16.764 18.995 230 HE1 HIS 28 HE1 HIS 28 11.421 17.847 22.421 231 HE2 HIS 28 HE2 HIS 28 13.618 18.175 21.192 232 H ALA 29 HN ALA 29 7.987 15.083 16.854 233 HA ALA 29 HA ALA 29 8.586 12.881 15.273 234 1HB ALA 29 HB1 ALA 29 6.306 14.866 14.998 235 2HB ALA 29 HB2 ALA 29 6.283 13.364 15.908 236 3HB ALA 29 HB3 ALA 29 6.375 13.320 14.154 237 H MET 30 HN MET 30 8.328 16.306 14.342 238 HA MET 30 HA MET 30 8.723 15.884 11.569 239 1HB MET 30 HB2 MET 30 9.154 18.279 11.459 240 2HB MET 30 HB1 MET 30 7.781 17.986 12.526 241 1HG MET 30 HG2 MET 30 9.651 17.959 14.414 242 2HG MET 30 HG1 MET 30 10.583 18.864 13.229 243 1HE MET 30 HE1 MET 30 10.357 19.832 15.760 244 2HE MET 30 HE2 MET 30 9.435 21.313 15.977 245 3HE MET 30 HE3 MET 30 10.690 21.243 14.750 246 H ASN 31 HN ASN 31 10.990 16.998 14.116 247 HA ASN 31 HA ASN 31 13.265 17.097 12.491 248 1HB ASN 31 HB2 ASN 31 13.145 18.022 14.780 249 2HB ASN 31 HB1 ASN 31 13.131 16.386 15.427 250 1HD2 ASN 31 HD21 ASN 31 15.222 18.138 16.154 251 2HD2 ASN 31 HD22 ASN 31 16.665 17.611 15.432 252 H SER 32 HN SER 32 12.250 14.460 14.675 253 HA SER 32 HA SER 32 14.248 12.632 13.975 254 1HB SER 32 HB2 SER 32 11.379 12.056 14.752 255 2HB SER 32 HB1 SER 32 12.709 10.901 14.806 256 HG SER 32 HG SER 32 13.701 12.755 16.136 257 H TYR 33 HN TYR 33 10.953 12.939 12.639 258 HA TYR 33 HA TYR 33 11.219 10.929 10.677 259 1HB TYR 33 HB2 TYR 33 9.054 11.868 11.433 260 2HB TYR 33 HB1 TYR 33 9.455 13.391 10.630 261 HD1 TYR 33 HD1 TYR 33 9.571 13.543 8.191 262 HD2 TYR 33 HD2 TYR 33 8.495 9.882 10.157 263 HE1 TYR 33 HE1 TYR 33 8.748 12.625 6.035 264 HE2 TYR 33 HE2 TYR 33 7.662 8.967 8.004 265 HH TYR 33 HH TYR 33 8.137 9.377 5.534 266 H TYR 34 HN TYR 34 11.627 14.463 10.488 267 HA TYR 34 HA TYR 34 12.151 14.711 7.780 268 1HB TYR 34 HB2 TYR 34 11.916 16.593 9.490 269 2HB TYR 34 HB1 TYR 34 13.605 16.327 9.897 270 HD1 TYR 34 HD1 TYR 34 15.343 16.543 8.029 271 HD2 TYR 34 HD2 TYR 34 11.265 17.841 7.593 272 HE1 TYR 34 HE1 TYR 34 15.992 17.936 6.080 273 HE2 TYR 34 HE2 TYR 34 11.921 19.223 5.645 274 HH TYR 34 HH TYR 34 14.012 20.335 4.799 275 H ARG 35 HN ARG 35 14.384 13.954 10.426 276 HA ARG 35 HA ARG 35 16.688 13.754 8.714 277 1HB ARG 35 HB2 ARG 35 16.903 14.341 11.072 278 2HB ARG 35 HB1 ARG 35 16.228 12.784 11.545 279 1HG ARG 35 HG2 ARG 35 18.563 12.569 9.679 280 2HG ARG 35 HG1 ARG 35 18.956 13.292 11.234 281 1HD ARG 35 HD2 ARG 35 17.498 10.651 10.924 282 2HD ARG 35 HD1 ARG 35 19.232 10.810 11.191 283 HE ARG 35 HE ARG 35 17.930 12.275 13.192 284 1HH1 ARG 35 HH21 ARG 35 18.258 9.015 12.082 285 2HH1 ARG 35 HH22 ARG 35 18.066 8.314 13.654 286 1HH2 ARG 35 HH11 ARG 35 17.683 11.365 15.256 287 2HH2 ARG 35 HH12 ARG 35 17.740 9.646 15.451 288 H SER 36 HN SER 36 14.192 11.578 9.822 289 HA SER 36 HA SER 36 15.528 9.133 9.323 290 1HB SER 36 HB2 SER 36 13.414 8.092 9.561 291 2HB SER 36 HB1 SER 36 13.300 9.530 10.572 292 HG SER 36 HG SER 36 11.540 9.055 8.989 293 H VAL 37 HN VAL 37 13.422 11.149 7.299 294 HA VAL 37 HA VAL 37 13.548 9.403 5.025 295 HB VAL 37 HB VAL 37 12.831 12.338 5.195 296 1HG1 VAL 37 HG11 VAL 37 12.438 10.271 3.010 297 2HG1 VAL 37 HG12 VAL 37 13.331 11.790 2.900 298 3HG1 VAL 37 HG13 VAL 37 11.578 11.811 3.057 299 1HG2 VAL 37 HG21 VAL 37 10.473 11.354 5.047 300 2HG2 VAL 37 HG22 VAL 37 11.310 11.108 6.578 301 3HG2 VAL 37 HG23 VAL 37 11.199 9.789 5.409 302 H VAL 38 HN VAL 38 15.041 12.574 5.718 303 HA VAL 38 HA VAL 38 16.571 12.880 3.439 304 HB VAL 38 HB VAL 38 17.340 13.545 6.298 305 1HG1 VAL 38 HG11 VAL 38 19.359 13.666 5.006 306 2HG1 VAL 38 HG12 VAL 38 18.777 15.322 5.140 307 3HG1 VAL 38 HG13 VAL 38 18.528 14.421 3.646 308 1HG2 VAL 38 HG21 VAL 38 15.158 14.513 5.097 309 2HG2 VAL 38 HG22 VAL 38 16.321 15.541 4.273 310 3HG2 VAL 38 HG23 VAL 38 16.206 15.578 6.025 311 H SER 39 HN SER 39 17.479 11.095 6.404 312 HA SER 39 HA SER 39 20.038 10.316 5.615 313 1HB SER 39 HB2 SER 39 19.157 9.983 7.892 314 2HB SER 39 HB1 SER 39 18.034 8.769 7.281 315 HG SER 39 HG SER 39 19.728 7.576 7.875 316 H THR 40 HN THR 40 16.913 8.668 5.109 317 HA THR 40 HA THR 40 17.981 6.440 3.721 318 HB THR 40 HB THR 40 15.221 7.645 3.449 319 HG1 THR 40 HG1 THR 40 14.747 6.672 5.266 320 1HG2 THR 40 HG21 THR 40 15.636 6.030 1.712 321 2HG2 THR 40 HG22 THR 40 14.641 5.246 2.937 322 3HG2 THR 40 HG23 THR 40 16.370 4.905 2.855 323 H LEU 41 HN LEU 41 16.605 9.500 2.574 324 HA LEU 41 HA LEU 41 16.865 8.916 -0.197 325 1HB LEU 41 HB2 LEU 41 16.328 11.338 1.469 326 2HB LEU 41 HB1 LEU 41 16.873 11.646 -0.173 327 HG LEU 41 HG LEU 41 14.380 11.567 0.068 328 1HD1 LEU 41 HD11 LEU 41 14.912 9.186 -1.659 329 2HD1 LEU 41 HD12 LEU 41 15.863 10.620 -2.031 330 3HD1 LEU 41 HD13 LEU 41 14.107 10.708 -2.031 331 1HD2 LEU 41 HD21 LEU 41 14.529 9.663 1.835 332 2HD2 LEU 41 HD22 LEU 41 14.607 8.572 0.459 333 3HD2 LEU 41 HD23 LEU 41 13.206 9.617 0.683 334 H VAL 42 HN VAL 42 19.035 10.409 2.145 335 HA VAL 42 HA VAL 42 21.080 10.892 0.084 336 HB VAL 42 HB VAL 42 21.085 11.533 3.052 337 1HG1 VAL 42 HG11 VAL 42 23.367 11.714 2.585 338 2HG1 VAL 42 HG12 VAL 42 22.888 13.268 1.919 339 3HG1 VAL 42 HG13 VAL 42 23.112 11.886 0.849 340 1HG2 VAL 42 HG21 VAL 42 20.584 13.327 0.648 341 2HG2 VAL 42 HG22 VAL 42 20.507 13.801 2.345 342 3HG2 VAL 42 HG23 VAL 42 19.314 12.686 1.685 343 H GLN 43 HN GLN 43 20.228 8.164 0.947 344 HA GLN 43 HA GLN 43 22.916 7.082 1.401 345 1HB GLN 43 HB2 GLN 43 21.904 7.356 3.661 346 2HB GLN 43 HB1 GLN 43 20.567 6.322 3.156 347 1HG GLN 43 HG2 GLN 43 22.008 4.424 2.923 348 2HG GLN 43 HG1 GLN 43 23.457 5.416 3.053 349 1HE2 GLN 43 HE21 GLN 43 23.092 3.205 4.754 350 2HE2 GLN 43 HE22 GLN 43 22.811 3.753 6.336 351 H ASP 44 HN ASP 44 20.081 7.083 -0.283 352 HA ASP 44 HA ASP 44 20.624 4.417 -1.414 353 1HB ASP 44 HB2 ASP 44 17.963 5.351 -0.309 354 2HB ASP 44 HB1 ASP 44 18.143 3.961 -1.379 355 H GLN 45 HN GLN 45 19.230 4.095 -3.391 356 HA GLN 45 HA GLN 45 18.642 4.757 -5.511 357 1HB GLN 45 HB2 GLN 45 16.830 5.964 -4.351 358 2HB GLN 45 HB1 GLN 45 17.882 7.353 -4.129 359 1HG GLN 45 HG2 GLN 45 18.066 7.697 -6.499 360 2HG GLN 45 HG1 GLN 45 17.193 6.203 -6.833 361 1HE2 GLN 45 HE21 GLN 45 15.191 6.861 -7.659 362 2HE2 GLN 45 HE22 GLN 45 14.190 8.026 -6.938 363 H LEU 46 HN LEU 46 19.827 7.840 -4.168 364 HA LEU 46 HA LEU 46 21.374 9.331 -5.020 365 1HB LEU 46 HB2 LEU 46 22.820 6.685 -5.173 366 2HB LEU 46 HB1 LEU 46 23.634 8.234 -5.384 367 HG LEU 46 HG LEU 46 21.930 7.797 -2.918 368 1HD1 LEU 46 HD11 LEU 46 23.959 6.937 -1.734 369 2HD1 LEU 46 HD12 LEU 46 24.782 6.824 -3.290 370 3HD1 LEU 46 HD13 LEU 46 23.369 5.821 -2.966 371 1HD2 LEU 46 HD21 LEU 46 22.931 10.046 -3.403 372 2HD2 LEU 46 HD22 LEU 46 24.531 9.310 -3.353 373 3HD2 LEU 46 HD23 LEU 46 23.529 9.343 -1.904 374 H THR 47 HN THR 47 19.835 9.520 -6.914 375 HA THR 47 HA THR 47 21.050 8.527 -9.438 376 HB THR 47 HB THR 47 18.729 7.824 -9.071 377 HG1 THR 47 HG1 THR 47 18.190 9.646 -10.973 378 1HG2 THR 47 HG21 THR 47 18.063 10.773 -9.091 379 2HG2 THR 47 HG22 THR 47 18.123 9.795 -7.629 380 3HG2 THR 47 HG23 THR 47 16.943 9.430 -8.886 381 H LYS 48 HN LYS 48 20.022 11.351 -7.659 382 HA LYS 48 HA LYS 48 21.715 13.070 -9.153 383 1HB LYS 48 HB2 LYS 48 19.778 12.718 -10.774 384 2HB LYS 48 HB1 LYS 48 18.761 13.520 -9.593 385 1HG LYS 48 HG2 LYS 48 19.361 15.331 -10.950 386 2HG LYS 48 HG1 LYS 48 20.594 15.435 -9.701 387 1HD LYS 48 HD2 LYS 48 22.137 14.120 -11.175 388 2HD LYS 48 HD1 LYS 48 20.893 14.125 -12.421 389 1HE LYS 48 HE2 LYS 48 20.939 16.569 -12.489 390 2HE LYS 48 HE1 LYS 48 22.139 16.596 -11.193 391 1HZ LYS 48 HZ1 LYS 48 23.598 15.261 -12.639 392 2HZ LYS 48 HZ2 LYS 48 23.251 16.793 -13.286 393 3HZ LYS 48 HZ3 LYS 48 22.468 15.413 -13.894 394 H ASN 49 HN ASN 49 22.270 14.699 -7.837 395 HA ASN 49 HA ASN 49 21.403 15.012 -5.245 396 1HB ASN 49 HB2 ASN 49 22.399 17.228 -7.036 397 2HB ASN 49 HB1 ASN 49 22.432 17.210 -5.272 398 1HD2 ASN 49 HD21 ASN 49 23.186 14.356 -5.074 399 2HD2 ASN 49 HD22 ASN 49 24.803 14.257 -5.577 400 H ALA 50 HN ALA 50 20.142 16.544 -8.183 401 HA ALA 50 HA ALA 50 18.349 18.327 -6.905 402 1HB ALA 50 HB1 ALA 50 18.946 18.627 -9.244 403 2HB ALA 50 HB2 ALA 50 17.201 18.408 -9.104 404 3HB ALA 50 HB3 ALA 50 18.214 17.075 -9.655 405 H VAL 51 HN VAL 51 17.865 15.070 -8.267 406 HA VAL 51 HA VAL 51 15.119 14.812 -7.769 407 HB VAL 51 HB VAL 51 17.356 12.788 -7.853 408 1HG1 VAL 51 HG11 VAL 51 14.415 12.298 -7.323 409 2HG1 VAL 51 HG12 VAL 51 15.803 11.664 -6.439 410 3HG1 VAL 51 HG13 VAL 51 15.440 11.064 -8.053 411 1HG2 VAL 51 HG21 VAL 51 16.481 14.060 -9.934 412 2HG2 VAL 51 HG22 VAL 51 14.998 13.130 -9.735 413 3HG2 VAL 51 HG23 VAL 51 16.522 12.300 -10.045 414 H VAL 52 HN VAL 52 17.794 13.744 -5.667 415 HA VAL 52 HA VAL 52 16.090 13.039 -3.522 416 HB VAL 52 HB VAL 52 18.175 13.024 -2.144 417 1HG1 VAL 52 HG11 VAL 52 19.385 11.353 -3.521 418 2HG1 VAL 52 HG12 VAL 52 18.450 11.847 -4.933 419 3HG1 VAL 52 HG13 VAL 52 17.644 11.082 -3.564 420 1HG2 VAL 52 HG21 VAL 52 20.319 13.545 -3.402 421 2HG2 VAL 52 HG22 VAL 52 19.327 14.956 -3.042 422 3HG2 VAL 52 HG23 VAL 52 19.314 14.257 -4.656 423 H LEU 53 HN LEU 53 17.837 16.014 -4.270 424 HA LEU 53 HA LEU 53 17.322 17.366 -1.860 425 1HB LEU 53 HB2 LEU 53 18.958 18.182 -3.492 426 2HB LEU 53 HB1 LEU 53 17.662 18.496 -4.639 427 HG LEU 53 HG LEU 53 16.703 20.158 -3.066 428 1HD1 LEU 53 HD11 LEU 53 18.366 20.906 -1.187 429 2HD1 LEU 53 HD12 LEU 53 19.046 19.288 -1.359 430 3HD1 LEU 53 HD13 LEU 53 17.359 19.495 -0.892 431 1HD2 LEU 53 HD21 LEU 53 18.349 20.779 -4.842 432 2HD2 LEU 53 HD22 LEU 53 19.625 20.662 -3.630 433 3HD2 LEU 53 HD23 LEU 53 18.358 21.873 -3.461 434 H LYS 54 HN LYS 54 15.467 17.192 -4.871 435 HA LYS 54 HA LYS 54 13.465 19.047 -4.244 436 1HB LYS 54 HB2 LYS 54 13.470 16.525 -5.912 437 2HB LYS 54 HB1 LYS 54 12.045 17.559 -5.802 438 1HG LYS 54 HG2 LYS 54 13.120 19.386 -6.863 439 2HG LYS 54 HG1 LYS 54 14.732 18.750 -6.555 440 1HD LYS 54 HD2 LYS 54 14.137 18.453 -8.917 441 2HD LYS 54 HD1 LYS 54 14.296 16.895 -8.118 442 1HE LYS 54 HE2 LYS 54 11.914 16.625 -7.982 443 2HE LYS 54 HE1 LYS 54 11.637 18.296 -8.473 444 1HZ LYS 54 HZ1 LYS 54 13.114 16.447 -10.230 445 2HZ LYS 54 HZ2 LYS 54 12.254 17.853 -10.638 446 3HZ LYS 54 HZ3 LYS 54 11.418 16.437 -10.213 447 H ARG 55 HN ARG 55 13.732 15.594 -3.439 448 HA ARG 55 HA ARG 55 11.180 15.364 -2.236 449 1HB ARG 55 HB2 ARG 55 13.684 13.738 -2.345 450 2HB ARG 55 HB1 ARG 55 12.664 13.422 -0.948 451 1HG ARG 55 HG2 ARG 55 12.039 11.896 -2.730 452 2HG ARG 55 HG1 ARG 55 10.728 13.052 -2.512 453 1HD ARG 55 HD2 ARG 55 11.599 14.382 -4.410 454 2HD ARG 55 HD1 ARG 55 12.900 13.215 -4.611 455 HE ARG 55 HE ARG 55 11.402 11.745 -5.602 456 1HH1 ARG 55 HH21 ARG 55 9.740 14.360 -4.062 457 2HH1 ARG 55 HH22 ARG 55 8.194 13.944 -4.725 458 1HH2 ARG 55 HH11 ARG 55 9.382 11.194 -6.468 459 2HH2 ARG 55 HH12 ARG 55 7.991 12.152 -6.085 460 H ILE 56 HN ILE 56 14.361 16.277 -0.970 461 HA ILE 56 HA ILE 56 13.561 16.380 1.763 462 HB ILE 56 HB ILE 56 15.838 17.770 0.331 463 1HG1 ILE 56 HG12 ILE 56 15.806 15.216 1.973 464 2HG1 ILE 56 HG11 ILE 56 15.777 15.254 0.219 465 1HG2 ILE 56 HG21 ILE 56 15.479 18.894 2.423 466 2HG2 ILE 56 HG22 ILE 56 16.814 17.785 2.697 467 3HG2 ILE 56 HG23 ILE 56 15.199 17.377 3.270 468 1HD1 ILE 56 HD11 ILE 56 18.062 14.938 0.942 469 2HD1 ILE 56 HD12 ILE 56 17.953 16.346 2.000 470 3HD1 ILE 56 HD13 ILE 56 17.902 16.550 0.255 471 H GLN 57 HN GLN 57 14.056 18.929 -0.690 472 HA GLN 57 HA GLN 57 13.300 21.120 0.858 473 1HB GLN 57 HB2 GLN 57 12.962 20.625 -2.114 474 2HB GLN 57 HB1 GLN 57 12.707 22.192 -1.342 475 1HG GLN 57 HG2 GLN 57 15.015 22.175 -0.512 476 2HG GLN 57 HG1 GLN 57 15.270 20.596 -1.246 477 1HE2 GLN 57 HE21 GLN 57 15.790 23.852 -1.795 478 2HE2 GLN 57 HE22 GLN 57 15.861 23.830 -3.490 479 H HIS 58 HN HIS 58 11.335 18.822 -0.980 480 HA HIS 58 HA HIS 58 8.858 20.207 -0.567 481 1HB HIS 58 HB2 HIS 58 9.417 17.335 -1.352 482 2HB HIS 58 HB1 HIS 58 7.834 18.109 -1.395 483 HD1 HIS 58 HD1 HIS 58 9.499 20.875 -2.333 484 HD2 HIS 58 HD2 HIS 58 9.138 17.213 -4.294 485 HE1 HIS 58 HE1 HIS 58 9.963 21.324 -4.782 486 HE2 HIS 58 HE2 HIS 58 9.747 19.101 -5.990 487 H LEU 59 HN LEU 59 10.784 18.019 1.281 488 HA LEU 59 HA LEU 59 8.754 16.880 2.880 489 1HB LEU 59 HB2 LEU 59 11.364 16.382 2.648 490 2HB LEU 59 HB1 LEU 59 11.476 17.413 4.066 491 HG LEU 59 HG LEU 59 9.915 14.823 3.765 492 1HD1 LEU 59 HD11 LEU 59 12.166 15.686 5.595 493 2HD1 LEU 59 HD12 LEU 59 12.293 14.561 4.235 494 3HD1 LEU 59 HD13 LEU 59 11.342 14.128 5.654 495 1HD2 LEU 59 HD21 LEU 59 9.784 16.927 5.941 496 2HD2 LEU 59 HD22 LEU 59 9.402 15.239 6.278 497 3HD2 LEU 59 HD23 LEU 59 8.458 16.128 5.094 498 H ASP 60 HN ASP 60 10.468 19.943 3.069 499 HA ASP 60 HA ASP 60 9.970 20.801 5.637 500 1HB ASP 60 HB2 ASP 60 9.989 23.084 4.771 501 2HB ASP 60 HB1 ASP 60 11.192 22.123 3.914 502 H GLU 61 HN GLU 61 7.690 20.263 3.076 503 HA GLU 61 HA GLU 61 5.529 21.835 3.928 504 1HB GLU 61 HB2 GLU 61 4.185 20.469 2.502 505 2HB GLU 61 HB1 GLU 61 5.783 20.524 1.756 506 1HG GLU 61 HG2 GLU 61 6.247 18.318 3.089 507 2HG GLU 61 HG1 GLU 61 4.501 18.249 3.298 508 H ALA 62 HN ALA 62 6.575 18.592 4.898 509 HA ALA 62 HA ALA 62 4.334 18.051 6.564 510 1HB ALA 62 HB1 ALA 62 7.108 16.881 6.857 511 2HB ALA 62 HB2 ALA 62 5.960 16.325 5.641 512 3HB ALA 62 HB3 ALA 62 5.584 16.157 7.357 513 H TYR 63 HN TYR 63 7.704 18.901 7.394 514 HA TYR 63 HA TYR 63 7.478 19.160 10.085 515 1HB TYR 63 HB2 TYR 63 9.671 19.539 9.396 516 2HB TYR 63 HB1 TYR 63 9.159 20.499 8.010 517 HD1 TYR 63 HD1 TYR 63 8.581 22.861 8.242 518 HD2 TYR 63 HD2 TYR 63 9.985 20.597 11.611 519 HE1 TYR 63 HE1 TYR 63 8.940 24.962 9.504 520 HE2 TYR 63 HE2 TYR 63 10.346 22.700 12.873 521 HH TYR 63 HH TYR 63 9.008 25.562 12.087 522 H ASN 64 HN ASN 64 6.615 21.575 7.628 523 HA ASN 64 HA ASN 64 5.890 23.656 9.406 524 1HB ASN 64 HB2 ASN 64 6.343 24.039 7.022 525 2HB ASN 64 HB1 ASN 64 4.921 23.087 6.594 526 1HD2 ASN 64 HD21 ASN 64 6.004 26.192 7.863 527 2HD2 ASN 64 HD22 ASN 64 4.478 26.934 7.849 528 H LYS 65 HN LYS 65 4.000 21.120 7.807 529 HA LYS 65 HA LYS 65 1.483 21.945 8.753 530 1HB LYS 65 HB2 LYS 65 2.244 20.130 6.948 531 2HB LYS 65 HB1 LYS 65 2.081 19.021 8.302 532 1HG LYS 65 HG2 LYS 65 -0.079 20.830 7.156 533 2HG LYS 65 HG1 LYS 65 -0.022 19.074 7.069 534 1HD LYS 65 HD2 LYS 65 -0.048 19.118 9.658 535 2HD LYS 65 HD1 LYS 65 -0.514 20.810 9.492 536 1HE LYS 65 HE2 LYS 65 -2.468 20.161 8.144 537 2HE LYS 65 HE1 LYS 65 -2.017 18.464 8.308 538 1HZ LYS 65 HZ1 LYS 65 -2.714 20.320 10.517 539 2HZ LYS 65 HZ2 LYS 65 -2.185 18.720 10.723 540 3HZ LYS 65 HZ3 LYS 65 -3.664 19.035 9.948 541 H VAL 66 HN VAL 66 3.950 19.798 10.126 542 HA VAL 66 HA VAL 66 2.448 18.768 12.251 543 HB VAL 66 HB VAL 66 5.428 19.316 12.067 544 1HG1 VAL 66 HG11 VAL 66 4.906 19.168 14.417 545 2HG1 VAL 66 HG12 VAL 66 5.548 17.594 13.934 546 3HG1 VAL 66 HG13 VAL 66 3.810 17.813 14.144 547 1HG2 VAL 66 HG21 VAL 66 3.939 16.682 11.861 548 2HG2 VAL 66 HG22 VAL 66 5.610 17.030 11.418 549 3HG2 VAL 66 HG23 VAL 66 4.292 17.677 10.447 550 H LYS 67 HN LYS 67 4.484 21.629 12.055 551 HA LYS 67 HA LYS 67 4.153 22.499 14.710 552 1HB LYS 67 HB2 LYS 67 4.764 23.990 12.176 553 2HB LYS 67 HB1 LYS 67 4.991 24.612 13.806 554 1HG LYS 67 HG2 LYS 67 6.203 21.907 13.233 555 2HG LYS 67 HG1 LYS 67 6.947 23.264 12.467 556 1HD LYS 67 HD2 LYS 67 6.353 23.301 15.433 557 2HD LYS 67 HD1 LYS 67 7.798 22.523 14.823 558 1HE LYS 67 HE2 LYS 67 8.743 24.557 14.049 559 2HE LYS 67 HE1 LYS 67 7.194 25.394 14.073 560 1HZ LYS 67 HZ1 LYS 67 8.789 24.506 16.420 561 2HZ LYS 67 HZ2 LYS 67 7.201 25.099 16.533 562 3HZ LYS 67 HZ3 LYS 67 8.445 26.101 15.958 563 H ARG 68 HN ARG 68 2.498 23.306 11.697 564 HA ARG 68 HA ARG 68 0.720 25.204 12.885 565 1HB ARG 68 HB2 ARG 68 1.526 24.940 10.391 566 2HB ARG 68 HB1 ARG 68 0.205 23.783 10.262 567 1HG ARG 68 HG2 ARG 68 -0.928 25.743 9.674 568 2HG ARG 68 HG1 ARG 68 -1.202 25.755 11.412 569 1HD ARG 68 HD2 ARG 68 0.847 27.207 11.651 570 2HD ARG 68 HD1 ARG 68 0.936 27.274 9.896 571 HE ARG 68 HE ARG 68 -1.650 28.068 10.789 572 1HH1 ARG 68 HH21 ARG 68 1.663 29.049 10.605 573 2HH1 ARG 68 HH22 ARG 68 1.305 30.743 10.541 574 1HH2 ARG 68 HH11 ARG 68 -2.129 30.290 10.698 575 2HH2 ARG 68 HH12 ARG 68 -0.843 31.446 10.593 576 H GLY 69 HN GLY 69 0.920 21.910 13.089 577 1HA GLY 69 HA2 GLY 69 -2.009 21.491 13.316 578 2HA GLY 69 HA1 GLY 69 -0.789 20.239 13.108 579 H GLU 70 HN GLU 70 0.720 19.873 14.858 580 HA GLU 70 HA GLU 70 0.353 18.900 17.087 581 1HB GLU 70 HB2 GLU 70 1.655 20.655 18.510 582 2HB GLU 70 HB1 GLU 70 2.458 19.939 17.111 583 1HG GLU 70 HG2 GLU 70 2.244 21.850 15.825 584 2HG GLU 70 HG1 GLU 70 0.874 22.478 16.712 585 H SER 71 HN SER 71 0.249 22.070 18.398 586 HA SER 71 HA SER 71 -2.621 22.172 18.772 587 1HB SER 71 HB2 SER 71 -0.806 21.606 21.114 588 2HB SER 71 HB1 SER 71 -2.488 22.102 21.250 589 HG SER 71 HG SER 71 -1.873 19.728 21.217 590 H LYS 72 HN LYS 72 -3.287 24.097 19.892 591 HA LYS 72 HA LYS 72 -1.421 26.298 19.363 592 1HB LYS 72 HB2 LYS 72 -3.960 26.167 18.706 593 2HB LYS 72 HB1 LYS 72 -4.255 26.666 20.371 594 1HG LYS 72 HG2 LYS 72 -2.600 28.570 19.951 595 2HG LYS 72 HG1 LYS 72 -2.663 28.129 18.245 596 1HD LYS 72 HD2 LYS 72 -5.053 28.932 19.947 597 2HD LYS 72 HD1 LYS 72 -4.245 29.969 18.775 598 1HE LYS 72 HE2 LYS 72 -4.765 28.112 17.042 599 2HE LYS 72 HE1 LYS 72 -5.889 27.486 18.250 600 1HZ LYS 72 HZ1 LYS 72 -5.944 30.089 16.861 601 2HZ LYS 72 HZ2 LYS 72 -6.767 29.866 18.330 602 3HZ LYS 72 HZ3 LYS 72 -7.169 28.921 16.976 603 H LEU 73 HN LEU 73 -1.060 27.979 20.929 604 HA LEU 73 HA LEU 73 -0.530 28.788 22.988 605 1HB LEU 73 HB2 LEU 73 -3.031 28.063 23.364 606 2HB LEU 73 HB1 LEU 73 -2.333 26.736 24.284 607 HG LEU 73 HG LEU 73 -0.933 28.704 25.443 608 1HD1 LEU 73 HD11 LEU 73 -2.181 30.777 25.643 609 2HD1 LEU 73 HD12 LEU 73 -3.502 30.130 24.672 610 3HD1 LEU 73 HD13 LEU 73 -1.939 30.456 23.926 611 1HD2 LEU 73 HD21 LEU 73 -2.417 27.223 26.678 612 2HD2 LEU 73 HD22 LEU 73 -3.836 28.063 26.054 613 3HD2 LEU 73 HD23 LEU 73 -2.744 28.884 27.169 614 H GLU 74 HN GLU 74 -0.073 25.607 22.054 615 HA GLU 74 HA GLU 74 1.678 24.928 24.343 616 1HB GLU 74 HB2 GLU 74 0.655 23.259 22.036 617 2HB GLU 74 HB1 GLU 74 1.702 22.673 23.330 618 1HG GLU 74 HG2 GLU 74 -0.045 23.354 24.988 619 2HG GLU 74 HG1 GLU 74 -1.096 23.795 23.649 620 H HIS 75 HN HIS 75 2.921 26.860 23.217 621 HA HIS 75 HA HIS 75 4.799 25.769 21.181 622 1HB HIS 75 HB2 HIS 75 4.164 28.635 21.927 623 2HB HIS 75 HB1 HIS 75 5.324 28.123 20.701 624 HD1 HIS 75 HD1 HIS 75 4.158 26.422 18.806 625 HD2 HIS 75 HD2 HIS 75 1.650 29.034 20.871 626 HE1 HIS 75 HE1 HIS 75 2.031 26.599 17.444 627 HE2 HIS 75 HE2 HIS 75 0.491 28.188 18.690 628 H HIS 76 HN HIS 76 7.017 26.131 21.457 629 HA HIS 76 HA HIS 76 7.911 25.910 24.193 630 1HB HIS 76 HB2 HIS 76 9.456 26.124 21.597 631 2HB HIS 76 HB1 HIS 76 10.156 25.737 23.169 632 HD1 HIS 76 HD1 HIS 76 9.279 23.476 24.315 633 HD2 HIS 76 HD2 HIS 76 8.254 23.958 20.303 634 HE1 HIS 76 HE1 HIS 76 8.548 21.198 23.484 635 HE2 HIS 76 HE2 HIS 76 7.920 21.475 21.039 636 H HIS 77 HN HIS 77 8.770 27.441 25.472 637 HA HIS 77 HA HIS 77 8.506 30.197 24.772 638 1HB HIS 77 HB2 HIS 77 8.268 29.321 27.095 639 2HB HIS 77 HB1 HIS 77 9.998 28.975 27.110 640 HD1 HIS 77 HD1 HIS 77 11.609 31.109 26.785 641 HD2 HIS 77 HD2 HIS 77 7.626 31.977 27.655 642 HE1 HIS 77 HE1 HIS 77 11.549 33.532 27.522 643 HE2 HIS 77 HE2 HIS 77 9.127 34.076 28.056 644 H HIS 78 HN HIS 78 9.995 31.645 24.094 645 HA HIS 78 HA HIS 78 12.848 30.988 24.083 646 1HB HIS 78 HB2 HIS 78 11.909 29.995 21.974 647 2HB HIS 78 HB1 HIS 78 11.402 31.614 21.492 648 HD1 HIS 78 HD1 HIS 78 13.200 33.214 20.631 649 HD2 HIS 78 HD2 HIS 78 14.783 29.639 22.072 650 HE1 HIS 78 HE1 HIS 78 15.649 33.206 19.988 651 HE2 HIS 78 HE2 HIS 78 16.628 31.030 20.857 652 H HIS 79 HN HIS 79 14.066 32.862 22.972 653 HA HIS 79 HA HIS 79 13.557 35.220 24.402 654 1HB HIS 79 HB2 HIS 79 15.174 34.803 21.874 655 2HB HIS 79 HB1 HIS 79 15.240 36.245 22.885 656 HD1 HIS 79 HD1 HIS 79 15.733 35.577 25.581 657 HD2 HIS 79 HD2 HIS 79 17.069 32.952 22.630 658 HE1 HIS 79 HE1 HIS 79 17.509 34.130 26.660 659 HE2 HIS 79 HE2 HIS 79 18.334 32.525 24.875 660 H HIS 80 HN HIS 80 12.712 34.280 21.098 661 HA HIS 80 HA HIS 80 10.585 36.272 21.028 662 1HB HIS 80 HB2 HIS 80 11.380 37.310 18.940 663 2HB HIS 80 HB1 HIS 80 12.519 37.583 20.258 664 HD1 HIS 80 HD1 HIS 80 14.878 36.755 19.925 665 HD2 HIS 80 HD2 HIS 80 12.239 35.147 17.125 666 HE1 HIS 80 HE1 HIS 80 16.294 35.480 18.255 667 HE2 HIS 80 HE2 HIS 80 14.700 34.495 16.541 668 1H MET 1 HT1 MET 1 38.215 33.248 16.905 669 2H MET 1 HT2 MET 1 38.627 34.896 16.853 670 3H MET 1 HT3 MET 1 39.574 33.808 17.752 671 HA MET 1 HA MET 1 39.433 34.186 14.840 672 1HB MET 1 HB2 MET 1 41.649 33.751 16.868 673 2HB MET 1 HB1 MET 1 41.910 33.936 15.137 674 1HG MET 1 HG2 MET 1 40.495 35.995 16.856 675 2HG MET 1 HG1 MET 1 42.208 36.069 16.456 676 1HE MET 1 HE1 MET 1 43.140 37.180 14.493 677 2HE MET 1 HE2 MET 1 42.471 37.046 12.870 678 3HE MET 1 HE3 MET 1 42.904 35.590 13.757 679 H SER 2 HN SER 2 38.098 31.935 16.250 680 HA SER 2 HA SER 2 39.646 29.572 16.026 681 1HB SER 2 HB2 SER 2 37.531 28.397 16.201 682 2HB SER 2 HB1 SER 2 37.528 29.757 17.317 683 HG SER 2 HG SER 2 35.619 29.438 15.895 684 H GLU 3 HN GLU 3 39.667 27.974 14.418 685 HA GLU 3 HA GLU 3 39.323 29.006 11.687 686 1HB GLU 3 HB2 GLU 3 40.585 26.450 12.731 687 2HB GLU 3 HB1 GLU 3 40.570 26.963 11.043 688 1HG GLU 3 HG2 GLU 3 41.762 28.597 13.302 689 2HG GLU 3 HG1 GLU 3 42.700 27.540 12.252 690 H LEU 4 HN LEU 4 37.120 28.950 11.346 691 HA LEU 4 HA LEU 4 35.485 26.674 11.936 692 1HB LEU 4 HB2 LEU 4 35.114 29.190 10.302 693 2HB LEU 4 HB1 LEU 4 33.895 27.918 10.266 694 HG LEU 4 HG LEU 4 33.659 28.048 12.709 695 1HD1 LEU 4 HD11 LEU 4 35.858 30.118 12.439 696 2HD1 LEU 4 HD12 LEU 4 35.810 28.697 13.484 697 3HD1 LEU 4 HD13 LEU 4 34.780 30.080 13.835 698 1HD2 LEU 4 HD21 LEU 4 32.595 30.267 12.797 699 2HD2 LEU 4 HD22 LEU 4 32.271 29.485 11.249 700 3HD2 LEU 4 HD23 LEU 4 33.487 30.759 11.356 701 H PHE 5 HN PHE 5 37.578 27.554 9.325 702 HA PHE 5 HA PHE 5 36.473 26.086 7.215 703 1HB PHE 5 HB2 PHE 5 38.360 27.672 6.968 704 2HB PHE 5 HB1 PHE 5 39.406 26.538 7.823 705 HD1 PHE 5 HD2 PHE 5 37.265 26.966 4.812 706 HD2 PHE 5 HD1 PHE 5 40.370 24.654 6.672 707 HE1 PHE 5 HE2 PHE 5 37.654 25.772 2.675 708 HE2 PHE 5 HE1 PHE 5 40.759 23.458 4.534 709 HZ PHE 5 HZ PHE 5 39.401 24.017 2.536 710 H SER 6 HN SER 6 38.704 25.106 9.799 711 HA SER 6 HA SER 6 39.174 22.491 8.876 712 1HB SER 6 HB2 SER 6 39.133 23.188 11.822 713 2HB SER 6 HB1 SER 6 40.268 22.167 10.944 714 HG SER 6 HG SER 6 41.171 24.184 11.449 715 H VAL 7 HN VAL 7 37.828 20.795 8.751 716 HA VAL 7 HA VAL 7 35.146 20.899 9.610 717 HB VAL 7 HB VAL 7 36.360 18.170 9.241 718 1HG1 VAL 7 HG11 VAL 7 33.900 18.548 9.345 719 2HG1 VAL 7 HG12 VAL 7 34.419 17.813 7.829 720 3HG1 VAL 7 HG13 VAL 7 34.017 19.529 7.882 721 1HG2 VAL 7 HG21 VAL 7 36.450 18.577 6.721 722 2HG2 VAL 7 HG22 VAL 7 37.751 19.314 7.651 723 3HG2 VAL 7 HG23 VAL 7 36.405 20.304 7.085 724 HA PRO 8 HA PRO 8 36.786 18.006 13.253 725 1HB PRO 8 HB2 PRO 8 39.328 19.570 13.724 726 2HB PRO 8 HB1 PRO 8 39.027 17.829 13.941 727 1HG PRO 8 HG2 PRO 8 40.404 18.677 11.843 728 2HG PRO 8 HG1 PRO 8 39.195 17.389 11.649 729 1HD PRO 8 HD2 PRO 8 38.963 20.299 10.953 730 2HD PRO 8 HD1 PRO 8 38.407 18.900 10.032 731 H TYR 9 HN TYR 9 37.090 21.457 12.806 732 HA TYR 9 HA TYR 9 36.819 22.255 15.521 733 1HB TYR 9 HB2 TYR 9 37.665 23.766 13.757 734 2HB TYR 9 HB1 TYR 9 36.075 23.755 12.995 735 HD1 TYR 9 HD2 TYR 9 37.768 24.449 16.254 736 HD2 TYR 9 HD1 TYR 9 34.437 25.348 13.693 737 HE1 TYR 9 HE2 TYR 9 37.060 26.249 17.806 738 HE2 TYR 9 HE1 TYR 9 33.732 27.148 15.244 739 HH TYR 9 HH TYR 9 35.453 28.607 17.271 740 H PHE 10 HN PHE 10 34.498 21.609 12.927 741 HA PHE 10 HA PHE 10 32.184 22.553 14.231 742 1HB PHE 10 HB2 PHE 10 32.778 20.732 11.935 743 2HB PHE 10 HB1 PHE 10 31.189 20.519 12.664 744 HD1 PHE 10 HD2 PHE 10 33.251 23.625 12.249 745 HD2 PHE 10 HD1 PHE 10 29.668 21.529 11.139 746 HE1 PHE 10 HE2 PHE 10 32.440 25.641 11.054 747 HE2 PHE 10 HE1 PHE 10 28.862 23.548 9.949 748 HZ PHE 10 HZ PHE 10 30.236 25.596 9.903 749 H ILE 11 HN ILE 11 33.811 19.407 14.333 750 HA ILE 11 HA ILE 11 31.817 18.099 15.888 751 HB ILE 11 HB ILE 11 34.769 17.522 15.493 752 1HG1 ILE 11 HG12 ILE 11 32.328 16.133 14.364 753 2HG1 ILE 11 HG11 ILE 11 33.171 17.412 13.503 754 1HG2 ILE 11 HG21 ILE 11 34.081 15.196 16.318 755 2HG2 ILE 11 HG22 ILE 11 32.596 15.938 16.904 756 3HG2 ILE 11 HG23 ILE 11 34.158 16.442 17.558 757 1HD1 ILE 11 HD11 ILE 11 34.364 14.770 14.394 758 2HD1 ILE 11 HD12 ILE 11 35.260 16.070 13.611 759 3HD1 ILE 11 HD13 ILE 11 33.974 15.236 12.738 760 H GLU 12 HN GLU 12 34.855 19.719 16.709 761 HA GLU 12 HA GLU 12 35.057 19.194 19.398 762 1HB GLU 12 HB2 GLU 12 36.649 20.554 17.996 763 2HB GLU 12 HB1 GLU 12 35.535 21.914 18.145 764 1HG GLU 12 HG2 GLU 12 35.736 21.817 20.595 765 2HG GLU 12 HG1 GLU 12 36.827 20.443 20.448 766 H ASN 13 HN ASN 13 32.701 21.181 17.772 767 HA ASN 13 HA ASN 13 31.786 22.596 20.099 768 1HB ASN 13 HB2 ASN 13 31.422 23.448 17.816 769 2HB ASN 13 HB1 ASN 13 30.387 22.063 17.470 770 1HD2 ASN 13 HD21 ASN 13 30.657 24.517 20.115 771 2HD2 ASN 13 HD22 ASN 13 28.988 24.813 20.195 772 H LEU 14 HN LEU 14 30.956 19.586 18.482 773 HA LEU 14 HA LEU 14 28.552 19.059 19.932 774 1HB LEU 14 HB2 LEU 14 30.362 17.033 18.585 775 2HB LEU 14 HB1 LEU 14 28.629 16.903 18.882 776 HG LEU 14 HG LEU 14 29.918 18.962 17.061 777 1HD1 LEU 14 HD11 LEU 14 30.043 16.570 16.259 778 2HD1 LEU 14 HD12 LEU 14 29.132 17.667 15.222 779 3HD1 LEU 14 HD13 LEU 14 28.278 16.548 16.277 780 1HD2 LEU 14 HD21 LEU 14 27.044 18.317 17.768 781 2HD2 LEU 14 HD22 LEU 14 27.482 19.166 16.291 782 3HD2 LEU 14 HD23 LEU 14 27.868 19.876 17.848 783 H LYS 15 HN LYS 15 31.943 18.155 20.327 784 HA LYS 15 HA LYS 15 31.663 16.264 22.361 785 1HB LYS 15 HB2 LYS 15 33.775 16.748 21.124 786 2HB LYS 15 HB1 LYS 15 33.923 18.253 22.033 787 1HG LYS 15 HG2 LYS 15 34.030 17.024 24.135 788 2HG LYS 15 HG1 LYS 15 33.744 15.501 23.293 789 1HD LYS 15 HD2 LYS 15 35.850 15.815 22.031 790 2HD LYS 15 HD1 LYS 15 36.141 17.318 22.910 791 1HE LYS 15 HE2 LYS 15 35.854 14.576 24.173 792 2HE LYS 15 HE1 LYS 15 37.376 15.434 23.932 793 1HZ LYS 15 HZ1 LYS 15 37.026 16.514 25.816 794 2HZ LYS 15 HZ2 LYS 15 35.563 15.681 26.048 795 3HZ LYS 15 HZ3 LYS 15 35.579 17.159 25.209 796 H GLN 16 HN GLN 16 31.698 19.788 22.462 797 HA GLN 16 HA GLN 16 31.834 20.014 25.314 798 1HB GLN 16 HB2 GLN 16 32.524 21.857 23.859 799 2HB GLN 16 HB1 GLN 16 30.879 21.997 23.239 800 1HG GLN 16 HG2 GLN 16 30.027 22.678 25.382 801 2HG GLN 16 HG1 GLN 16 31.533 22.257 26.191 802 1HE2 GLN 16 HE21 GLN 16 33.535 23.521 25.071 803 2HE2 GLN 16 HE22 GLN 16 33.253 25.176 24.816 804 H HIS 17 HN HIS 17 29.266 19.567 22.996 805 HA HIS 17 HA HIS 17 27.112 20.390 24.666 806 1HB HIS 17 HB2 HIS 17 27.156 18.468 22.327 807 2HB HIS 17 HB1 HIS 17 25.706 19.102 23.074 808 HD1 HIS 17 HD1 HIS 17 25.844 19.899 20.260 809 HD2 HIS 17 HD2 HIS 17 27.929 22.056 23.152 810 HE1 HIS 17 HE1 HIS 17 26.287 22.185 19.266 811 HE2 HIS 17 HE2 HIS 17 27.556 23.512 21.019 812 H ILE 18 HN ILE 18 28.449 17.172 23.918 813 HA ILE 18 HA ILE 18 26.737 15.800 25.764 814 HB ILE 18 HB ILE 18 28.203 13.860 25.306 815 1HG1 ILE 18 HG12 ILE 18 29.854 15.945 23.850 816 2HG1 ILE 18 HG11 ILE 18 30.369 14.941 25.199 817 1HG2 ILE 18 HG21 ILE 18 26.397 14.647 23.701 818 2HG2 ILE 18 HG22 ILE 18 27.635 13.650 22.975 819 3HG2 ILE 18 HG23 ILE 18 27.663 15.400 22.743 820 1HD1 ILE 18 HD11 ILE 18 31.301 13.897 23.298 821 2HD1 ILE 18 HD12 ILE 18 29.818 14.102 22.364 822 3HD1 ILE 18 HD13 ILE 18 29.873 12.929 23.683 823 H GLU 19 HN GLU 19 30.109 16.909 25.876 824 HA GLU 19 HA GLU 19 30.769 15.810 28.384 825 1HB GLU 19 HB2 GLU 19 31.792 18.222 26.879 826 2HB GLU 19 HB1 GLU 19 32.442 17.807 28.460 827 1HG GLU 19 HG2 GLU 19 32.369 15.870 26.123 828 2HG GLU 19 HG1 GLU 19 33.756 16.886 26.510 829 H MET 20 HN MET 20 29.576 19.084 27.590 830 HA MET 20 HA MET 20 28.684 19.382 30.417 831 1HB MET 20 HB2 MET 20 29.505 21.590 28.507 832 2HB MET 20 HB1 MET 20 29.067 21.765 30.205 833 1HG MET 20 HG2 MET 20 31.010 20.130 30.699 834 2HG MET 20 HG1 MET 20 31.532 20.461 29.046 835 1HE MET 20 HE1 MET 20 31.168 23.293 28.309 836 2HE MET 20 HE2 MET 20 32.709 22.439 28.256 837 3HE MET 20 HE3 MET 20 32.627 24.051 28.958 838 H ASN 21 HN ASN 21 27.414 21.942 29.509 839 HA ASN 21 HA ASN 21 25.256 21.119 27.735 840 1HB ASN 21 HB2 ASN 21 24.749 21.616 30.682 841 2HB ASN 21 HB1 ASN 21 23.495 21.495 29.450 842 1HD2 ASN 21 HD21 ASN 21 23.111 19.365 28.477 843 2HD2 ASN 21 HD22 ASN 21 23.717 17.954 29.200 844 H GLN 22 HN GLN 22 26.858 23.077 27.110 845 HA GLN 22 HA GLN 22 26.383 25.620 28.216 846 1HB GLN 22 HB2 GLN 22 28.231 24.984 26.603 847 2HB GLN 22 HB1 GLN 22 27.034 25.029 25.313 848 1HG GLN 22 HG2 GLN 22 28.129 27.174 25.342 849 2HG GLN 22 HG1 GLN 22 26.514 27.416 26.003 850 1HE2 GLN 22 HE21 GLN 22 26.877 29.076 27.544 851 2HE2 GLN 22 HE22 GLN 22 28.009 28.960 28.804 852 H SER 23 HN SER 23 24.824 23.921 25.515 853 HA SER 23 HA SER 23 22.264 24.961 25.962 854 1HB SER 23 HB2 SER 23 22.888 27.158 25.342 855 2HB SER 23 HB1 SER 23 23.994 26.582 24.098 856 HG SER 23 HG SER 23 22.368 26.359 22.754 857 H GLU 24 HN GLU 24 22.475 22.537 25.474 858 HA GLU 24 HA GLU 24 21.342 22.057 22.901 859 1HB GLU 24 HB2 GLU 24 23.933 22.296 22.511 860 2HB GLU 24 HB1 GLU 24 24.027 20.708 23.240 861 1HG GLU 24 HG2 GLU 24 23.838 20.260 20.905 862 2HG GLU 24 HG1 GLU 24 22.210 20.003 21.532 863 H ASP 25 HN ASP 25 22.829 19.276 23.170 864 HA ASP 25 HA ASP 25 21.492 18.174 25.532 865 1HB ASP 25 HB2 ASP 25 20.846 17.168 22.750 866 2HB ASP 25 HB1 ASP 25 20.197 16.561 24.272 867 H LYS 26 HN LYS 26 21.660 15.532 24.925 868 HA LYS 26 HA LYS 26 24.544 15.108 25.068 869 1HB LYS 26 HB2 LYS 26 22.901 13.939 26.563 870 2HB LYS 26 HB1 LYS 26 22.323 13.047 25.162 871 1HG LYS 26 HG2 LYS 26 24.616 12.138 24.805 872 2HG LYS 26 HG1 LYS 26 25.181 13.047 26.203 873 1HD LYS 26 HD2 LYS 26 23.591 11.821 27.644 874 2HD LYS 26 HD1 LYS 26 23.029 10.906 26.245 875 1HE LYS 26 HE2 LYS 26 24.689 9.597 27.484 876 2HE LYS 26 HE1 LYS 26 25.332 10.049 25.904 877 1HZ LYS 26 HZ1 LYS 26 26.951 11.194 26.861 878 2HZ LYS 26 HZ2 LYS 26 26.461 10.567 28.362 879 3HZ LYS 26 HZ3 LYS 26 25.861 12.064 27.825 880 H ILE 27 HN ILE 27 22.962 12.470 23.628 881 HA ILE 27 HA ILE 27 24.655 12.492 21.363 882 HB ILE 27 HB ILE 27 23.691 10.457 22.402 883 1HG1 ILE 27 HG12 ILE 27 22.930 10.766 19.479 884 2HG1 ILE 27 HG11 ILE 27 24.582 10.539 20.037 885 1HG2 ILE 27 HG21 ILE 27 21.378 11.482 22.692 886 2HG2 ILE 27 HG22 ILE 27 21.397 9.842 22.044 887 3HG2 ILE 27 HG23 ILE 27 21.128 11.210 20.966 888 1HD1 ILE 27 HD11 ILE 27 22.718 8.527 19.458 889 2HD1 ILE 27 HD12 ILE 27 22.849 8.516 21.214 890 3HD1 ILE 27 HD13 ILE 27 24.287 8.327 20.220 891 H HIS 28 HN HIS 28 21.317 13.477 21.895 892 HA HIS 28 HA HIS 28 20.511 13.799 19.230 893 1HB HIS 28 HB2 HIS 28 19.729 15.372 21.691 894 2HB HIS 28 HB1 HIS 28 18.878 15.443 20.150 895 HD1 HIS 28 HD1 HIS 28 19.316 13.362 23.190 896 HD2 HIS 28 HD2 HIS 28 17.559 12.948 19.432 897 HE1 HIS 28 HE1 HIS 28 17.838 11.309 23.312 898 HE2 HIS 28 HE2 HIS 28 16.760 11.044 21.029 899 H ALA 29 HN ALA 29 22.725 15.633 21.145 900 HA ALA 29 HA ALA 29 22.657 18.180 20.144 901 1HB ALA 29 HB1 ALA 29 25.121 18.230 20.448 902 2HB ALA 29 HB2 ALA 29 25.118 16.476 20.599 903 3HB ALA 29 HB3 ALA 29 24.304 17.464 21.807 904 H MET 30 HN MET 30 23.789 15.285 18.506 905 HA MET 30 HA MET 30 24.961 16.589 16.280 906 1HB MET 30 HB2 MET 30 24.815 14.409 15.174 907 2HB MET 30 HB1 MET 30 25.392 14.223 16.826 908 1HG MET 30 HG2 MET 30 23.785 12.536 16.818 909 2HG MET 30 HG1 MET 30 22.758 13.869 17.302 910 1HE MET 30 HE1 MET 30 20.941 12.185 16.697 911 2HE MET 30 HE2 MET 30 21.932 10.995 15.859 912 3HE MET 30 HE3 MET 30 20.507 11.661 15.063 913 H ASN 31 HN ASN 31 21.753 15.076 16.727 914 HA ASN 31 HA ASN 31 20.721 15.649 14.202 915 1HB ASN 31 HB2 ASN 31 19.600 14.171 15.803 916 2HB ASN 31 HB1 ASN 31 19.250 15.547 16.846 917 1HD2 ASN 31 HD21 ASN 31 19.060 15.701 13.297 918 2HD2 ASN 31 HD22 ASN 31 17.375 15.891 13.230 919 H SER 32 HN SER 32 20.407 17.582 17.191 920 HA SER 32 HA SER 32 19.005 19.720 16.010 921 1HB SER 32 HB2 SER 32 19.054 19.598 18.391 922 2HB SER 32 HB1 SER 32 20.815 19.544 18.420 923 HG SER 32 HG SER 32 19.121 21.705 17.717 924 H TYR 33 HN TYR 33 22.494 19.285 16.596 925 HA TYR 33 HA TYR 33 23.267 21.735 15.357 926 1HB TYR 33 HB2 TYR 33 24.664 20.580 17.023 927 2HB TYR 33 HB1 TYR 33 24.873 19.225 15.910 928 HD1 TYR 33 HD2 TYR 33 26.180 19.462 13.859 929 HD2 TYR 33 HD1 TYR 33 25.771 22.729 16.615 930 HE1 TYR 33 HE2 TYR 33 28.039 20.658 12.721 931 HE2 TYR 33 HE1 TYR 33 27.635 23.919 15.487 932 HH TYR 33 HH TYR 33 28.994 23.938 13.718 933 H TYR 34 HN TYR 34 22.412 18.615 14.163 934 HA TYR 34 HA TYR 34 23.876 18.718 11.690 935 1HB TYR 34 HB2 TYR 34 23.053 16.588 12.674 936 2HB TYR 34 HB1 TYR 34 21.400 17.103 12.365 937 HD1 TYR 34 HD2 TYR 34 20.646 17.477 9.997 938 HD2 TYR 34 HD1 TYR 34 24.439 15.709 10.960 939 HE1 TYR 34 HE2 TYR 34 20.835 16.625 7.677 940 HE2 TYR 34 HE1 TYR 34 24.637 14.874 8.630 941 HH TYR 34 HH TYR 34 22.114 15.562 6.206 942 H ARG 35 HN ARG 35 20.440 19.198 12.516 943 HA ARG 35 HA ARG 35 19.694 20.093 9.921 944 1HB ARG 35 HB2 ARG 35 17.584 20.738 10.981 945 2HB ARG 35 HB1 ARG 35 18.075 19.128 11.504 946 1HG ARG 35 HG2 ARG 35 19.056 20.138 13.559 947 2HG ARG 35 HG1 ARG 35 18.441 21.710 13.062 948 1HD ARG 35 HD2 ARG 35 16.716 19.260 13.483 949 2HD ARG 35 HD1 ARG 35 16.949 20.531 14.680 950 HE ARG 35 HE ARG 35 16.113 21.727 12.270 951 1HH1 ARG 35 HH21 ARG 35 14.999 19.599 14.761 952 2HH1 ARG 35 HH22 ARG 35 13.335 20.046 14.592 953 1HH2 ARG 35 HH11 ARG 35 13.930 22.320 12.042 954 2HH2 ARG 35 HH12 ARG 35 12.729 21.586 13.053 955 H SER 36 HN SER 36 21.149 21.618 12.656 956 HA SER 36 HA SER 36 20.344 24.300 12.096 957 1HB SER 36 HB2 SER 36 22.747 23.261 13.605 958 2HB SER 36 HB1 SER 36 22.188 24.930 13.606 959 HG SER 36 HG SER 36 20.143 23.277 14.133 960 H VAL 37 HN VAL 37 23.290 22.433 11.376 961 HA VAL 37 HA VAL 37 24.542 24.567 9.930 962 HB VAL 37 HB VAL 37 25.037 21.570 9.978 963 1HG1 VAL 37 HG11 VAL 37 25.886 22.369 7.845 964 2HG1 VAL 37 HG12 VAL 37 27.255 22.170 8.922 965 3HG1 VAL 37 HG13 VAL 37 26.613 23.772 8.625 966 1HG2 VAL 37 HG21 VAL 37 25.550 22.658 12.084 967 2HG2 VAL 37 HG22 VAL 37 26.429 23.945 11.256 968 3HG2 VAL 37 HG23 VAL 37 27.068 22.303 11.262 969 H VAL 38 HN VAL 38 23.078 21.500 8.800 970 HA VAL 38 HA VAL 38 23.208 21.941 6.072 971 HB VAL 38 HB VAL 38 20.999 20.593 7.662 972 1HG1 VAL 38 HG11 VAL 38 20.065 21.060 5.491 973 2HG1 VAL 38 HG12 VAL 38 20.582 19.377 5.455 974 3HG1 VAL 38 HG13 VAL 38 21.568 20.620 4.681 975 1HG2 VAL 38 HG21 VAL 38 22.221 18.536 6.915 976 2HG2 VAL 38 HG22 VAL 38 23.181 19.564 7.975 977 3HG2 VAL 38 HG23 VAL 38 23.473 19.569 6.239 978 H SER 39 HN SER 39 20.667 23.068 8.314 979 HA SER 39 HA SER 39 18.986 24.263 6.415 980 1HB SER 39 HB2 SER 39 19.510 24.925 9.318 981 2HB SER 39 HB1 SER 39 18.262 25.724 8.365 982 HG SER 39 HG SER 39 17.487 23.554 7.894 983 H THR 40 HN THR 40 21.937 25.410 7.945 984 HA THR 40 HA THR 40 21.681 28.110 6.872 985 HB THR 40 HB THR 40 24.093 26.797 8.139 986 HG1 THR 40 HG1 THR 40 22.718 28.490 9.702 987 1HG2 THR 40 HG21 THR 40 23.266 29.679 7.701 988 2HG2 THR 40 HG22 THR 40 24.638 28.845 6.969 989 3HG2 THR 40 HG23 THR 40 24.630 29.178 8.701 990 H LEU 41 HN LEU 41 23.709 25.265 6.273 991 HA LEU 41 HA LEU 41 25.246 26.419 4.185 992 1HB LEU 41 HB2 LEU 41 24.712 23.661 5.206 993 2HB LEU 41 HB1 LEU 41 25.455 23.786 3.620 994 HG LEU 41 HG LEU 41 27.057 23.551 5.597 995 1HD1 LEU 41 HD11 LEU 41 27.615 24.596 3.285 996 2HD1 LEU 41 HD12 LEU 41 28.720 24.887 4.621 997 3HD1 LEU 41 HD13 LEU 41 27.590 26.143 4.130 998 1HD2 LEU 41 HD21 LEU 41 26.526 26.488 6.120 999 2HD2 LEU 41 HD22 LEU 41 27.447 25.343 7.080 1000 3HD2 LEU 41 HD23 LEU 41 25.691 25.225 7.019 1001 H VAL 42 HN VAL 42 22.276 24.476 4.132 1002 HA VAL 42 HA VAL 42 22.093 24.381 1.296 1003 HB VAL 42 HB VAL 42 20.922 22.879 3.042 1004 1HG1 VAL 42 HG11 VAL 42 19.894 24.976 4.206 1005 2HG1 VAL 42 HG12 VAL 42 18.861 23.563 4.000 1006 3HG1 VAL 42 HG13 VAL 42 18.703 24.937 2.907 1007 1HG2 VAL 42 HG21 VAL 42 18.960 22.524 1.521 1008 2HG2 VAL 42 HG22 VAL 42 20.496 22.663 0.654 1009 3HG2 VAL 42 HG23 VAL 42 19.375 24.027 0.692 1010 H GLN 43 HN GLN 43 21.439 26.804 3.624 1011 HA GLN 43 HA GLN 43 19.742 28.374 1.784 1012 1HB GLN 43 HB2 GLN 43 20.405 28.623 4.726 1013 2HB GLN 43 HB1 GLN 43 19.581 29.903 3.833 1014 1HG GLN 43 HG2 GLN 43 17.783 28.363 3.226 1015 2HG GLN 43 HG1 GLN 43 18.608 27.037 4.029 1016 1HE2 GLN 43 HE21 GLN 43 16.220 27.285 5.105 1017 2HE2 GLN 43 HE22 GLN 43 16.209 28.191 6.541 1018 H ASP 44 HN ASP 44 22.994 28.056 2.815 1019 HA ASP 44 HA ASP 44 23.939 30.677 2.758 1020 1HB ASP 44 HB2 ASP 44 25.281 28.659 3.383 1021 2HB ASP 44 HB1 ASP 44 25.367 28.237 1.672 1022 H GLN 45 HN GLN 45 23.580 28.354 0.075 1023 HA GLN 45 HA GLN 45 22.886 30.330 -1.813 1024 1HB GLN 45 HB2 GLN 45 24.967 30.193 -3.218 1025 2HB GLN 45 HB1 GLN 45 25.188 31.057 -1.701 1026 1HG GLN 45 HG2 GLN 45 26.063 28.917 -0.692 1027 2HG GLN 45 HG1 GLN 45 25.994 28.197 -2.296 1028 1HE2 GLN 45 HE21 GLN 45 28.445 28.563 -0.792 1029 2HE2 GLN 45 HE22 GLN 45 29.414 29.645 -1.670 1030 H LEU 46 HN LEU 46 21.738 29.315 -3.308 1031 HA LEU 46 HA LEU 46 22.001 26.391 -3.633 1032 1HB LEU 46 HB2 LEU 46 19.872 28.369 -4.480 1033 2HB LEU 46 HB1 LEU 46 19.802 26.641 -4.818 1034 HG LEU 46 HG LEU 46 20.178 27.628 -1.972 1035 1HD1 LEU 46 HD11 LEU 46 18.182 28.782 -2.768 1036 2HD1 LEU 46 HD12 LEU 46 17.698 27.468 -1.697 1037 3HD1 LEU 46 HD13 LEU 46 17.547 27.283 -3.445 1038 1HD2 LEU 46 HD21 LEU 46 20.489 25.220 -2.319 1039 2HD2 LEU 46 HD22 LEU 46 18.959 25.118 -3.187 1040 3HD2 LEU 46 HD23 LEU 46 18.974 25.484 -1.464 1041 H THR 47 HN THR 47 24.035 28.024 -4.766 1042 HA THR 47 HA THR 47 23.602 28.612 -7.489 1043 HB THR 47 HB THR 47 25.504 29.470 -6.151 1044 HG1 THR 47 HG1 THR 47 26.626 27.966 -8.229 1045 1HG2 THR 47 HG21 THR 47 26.729 26.735 -6.499 1046 2HG2 THR 47 HG22 THR 47 25.932 27.250 -5.007 1047 3HG2 THR 47 HG23 THR 47 27.371 28.094 -5.576 1048 H LYS 48 HN LYS 48 24.179 25.673 -5.796 1049 HA LYS 48 HA LYS 48 23.594 24.078 -8.092 1050 1HB LYS 48 HB2 LYS 48 26.021 24.797 -8.469 1051 2HB LYS 48 HB1 LYS 48 26.419 23.853 -7.043 1052 1HG LYS 48 HG2 LYS 48 26.786 22.284 -8.742 1053 2HG LYS 48 HG1 LYS 48 25.132 21.909 -8.283 1054 1HD LYS 48 HD2 LYS 48 24.396 23.500 -10.162 1055 2HD LYS 48 HD1 LYS 48 26.080 23.516 -10.671 1056 1HE LYS 48 HE2 LYS 48 26.037 21.085 -10.960 1057 2HE LYS 48 HE1 LYS 48 24.367 21.035 -10.384 1058 1HZ LYS 48 HZ1 LYS 48 25.431 22.114 -12.903 1059 2HZ LYS 48 HZ2 LYS 48 24.008 22.773 -12.251 1060 3HZ LYS 48 HZ3 LYS 48 24.079 21.123 -12.647 1061 H ASN 49 HN ASN 49 22.362 22.535 -7.131 1062 HA ASN 49 HA ASN 49 22.342 21.885 -4.445 1063 1HB ASN 49 HB2 ASN 49 21.283 19.755 -5.090 1064 2HB ASN 49 HB1 ASN 49 20.592 21.134 -5.943 1065 1HD2 ASN 49 HD21 ASN 49 19.962 19.261 -7.498 1066 2HD2 ASN 49 HD22 ASN 49 21.093 18.852 -8.695 1067 H ALA 50 HN ALA 50 24.772 21.178 -6.711 1068 HA ALA 50 HA ALA 50 25.746 18.741 -5.444 1069 1HB ALA 50 HB1 ALA 50 27.498 18.757 -7.034 1070 2HB ALA 50 HB2 ALA 50 27.389 20.500 -7.277 1071 3HB ALA 50 HB3 ALA 50 26.122 19.443 -7.897 1072 H VAL 51 HN VAL 51 27.071 22.051 -5.684 1073 HA VAL 51 HA VAL 51 29.292 21.788 -4.062 1074 HB VAL 51 HB VAL 51 29.138 24.175 -3.567 1075 1HG1 VAL 51 HG11 VAL 51 28.496 24.890 -6.101 1076 2HG1 VAL 51 HG12 VAL 51 28.584 23.146 -6.345 1077 3HG1 VAL 51 HG13 VAL 51 29.983 24.016 -5.726 1078 1HG2 VAL 51 HG21 VAL 51 26.266 23.701 -3.955 1079 2HG2 VAL 51 HG22 VAL 51 26.795 25.083 -4.841 1080 3HG2 VAL 51 HG23 VAL 51 27.040 25.003 -3.105 1081 H VAL 52 HN VAL 52 25.941 22.230 -3.064 1082 HA VAL 52 HA VAL 52 26.574 22.424 -0.258 1083 HB VAL 52 HB VAL 52 24.086 22.206 0.056 1084 1HG1 VAL 52 HG11 VAL 52 25.178 24.422 -0.441 1085 2HG1 VAL 52 HG12 VAL 52 23.514 24.315 -1.010 1086 3HG1 VAL 52 HG13 VAL 52 24.843 24.159 -2.151 1087 1HG2 VAL 52 HG21 VAL 52 23.661 20.687 -1.828 1088 2HG2 VAL 52 HG22 VAL 52 24.162 21.949 -2.947 1089 3HG2 VAL 52 HG23 VAL 52 22.702 22.157 -1.995 1090 H LEU 53 HN LEU 53 25.708 19.875 -2.485 1091 HA LEU 53 HA LEU 53 25.018 17.911 -0.589 1092 1HB LEU 53 HB2 LEU 53 24.980 17.984 -3.305 1093 2HB LEU 53 HB1 LEU 53 26.409 17.011 -3.100 1094 HG LEU 53 HG LEU 53 24.511 15.534 -3.292 1095 1HD1 LEU 53 HD11 LEU 53 26.346 15.147 -1.492 1096 2HD1 LEU 53 HD12 LEU 53 24.871 14.185 -1.399 1097 3HD1 LEU 53 HD13 LEU 53 25.079 15.571 -0.332 1098 1HD2 LEU 53 HD21 LEU 53 23.079 16.380 -0.820 1099 2HD2 LEU 53 HD22 LEU 53 22.442 15.905 -2.390 1100 3HD2 LEU 53 HD23 LEU 53 22.984 17.556 -2.132 1101 H LYS 54 HN LYS 54 28.114 18.891 -1.946 1102 HA LYS 54 HA LYS 54 29.667 16.778 -0.857 1103 1HB LYS 54 HB2 LYS 54 30.464 19.601 -1.622 1104 2HB LYS 54 HB1 LYS 54 31.566 18.248 -1.370 1105 1HG LYS 54 HG2 LYS 54 30.723 17.060 -3.272 1106 2HG LYS 54 HG1 LYS 54 29.321 18.117 -3.411 1107 1HD LYS 54 HD2 LYS 54 30.914 18.726 -5.127 1108 2HD LYS 54 HD1 LYS 54 30.848 20.019 -3.931 1109 1HE LYS 54 HE2 LYS 54 32.929 19.334 -2.956 1110 2HE LYS 54 HE1 LYS 54 32.928 17.815 -3.855 1111 1HZ LYS 54 HZ1 LYS 54 32.904 20.416 -5.250 1112 2HZ LYS 54 HZ2 LYS 54 33.398 18.898 -5.832 1113 3HZ LYS 54 HZ3 LYS 54 34.359 19.734 -4.708 1114 H ARG 55 HN ARG 55 28.998 20.100 0.219 1115 HA ARG 55 HA ARG 55 30.559 20.052 2.558 1116 1HB ARG 55 HB2 ARG 55 28.055 21.632 1.900 1117 2HB ARG 55 HB1 ARG 55 29.122 21.964 3.266 1118 1HG ARG 55 HG2 ARG 55 30.998 22.366 1.753 1119 2HG ARG 55 HG1 ARG 55 30.012 21.921 0.368 1120 1HD ARG 55 HD2 ARG 55 29.976 24.293 0.351 1121 2HD ARG 55 HD1 ARG 55 28.443 23.861 1.105 1122 HE ARG 55 HE ARG 55 30.183 24.120 3.216 1123 1HH1 ARG 55 HH21 ARG 55 29.187 26.088 0.550 1124 2HH1 ARG 55 HH22 ARG 55 29.442 27.585 1.383 1125 1HH2 ARG 55 HH11 ARG 55 30.534 26.077 4.308 1126 2HH2 ARG 55 HH12 ARG 55 30.204 27.578 3.510 1127 H ILE 56 HN ILE 56 27.151 19.235 1.971 1128 HA ILE 56 HA ILE 56 26.468 18.713 4.676 1129 HB ILE 56 HB ILE 56 25.300 17.709 2.068 1130 1HG1 ILE 56 HG12 ILE 56 24.223 19.800 3.991 1131 2HG1 ILE 56 HG11 ILE 56 25.236 20.209 2.620 1132 1HG2 ILE 56 HG21 ILE 56 23.241 17.252 3.547 1133 2HG2 ILE 56 HG22 ILE 56 24.327 17.396 4.928 1134 3HG2 ILE 56 HG23 ILE 56 24.584 16.129 3.730 1135 1HD1 ILE 56 HD11 ILE 56 22.603 18.739 2.482 1136 2HD1 ILE 56 HD12 ILE 56 23.633 19.118 1.104 1137 3HD1 ILE 56 HD13 ILE 56 22.870 20.420 2.018 1138 H GLN 57 HN GLN 57 27.572 16.596 2.027 1139 HA GLN 57 HA GLN 57 27.375 14.127 3.273 1140 1HB GLN 57 HB2 GLN 57 29.256 15.259 1.201 1141 2HB GLN 57 HB1 GLN 57 29.520 13.620 1.795 1142 1HG GLN 57 HG2 GLN 57 26.824 14.527 0.768 1143 2HG GLN 57 HG1 GLN 57 28.048 13.873 -0.312 1144 1HE2 GLN 57 HE21 GLN 57 28.639 11.589 -0.027 1145 2HE2 GLN 57 HE22 GLN 57 27.635 10.534 0.842 1146 H HIS 58 HN HIS 58 29.865 16.603 3.580 1147 HA HIS 58 HA HIS 58 31.673 15.050 5.113 1148 1HB HIS 58 HB2 HIS 58 31.272 18.049 4.948 1149 2HB HIS 58 HB1 HIS 58 32.630 17.265 5.752 1150 HD1 HIS 58 HD1 HIS 58 32.700 14.946 3.466 1151 HD2 HIS 58 HD2 HIS 58 33.039 19.062 2.891 1152 HE1 HIS 58 HE1 HIS 58 33.888 15.265 1.252 1153 HE2 HIS 58 HE2 HIS 58 34.102 17.769 0.887 1154 H LEU 59 HN LEU 59 28.870 17.018 5.888 1155 HA LEU 59 HA LEU 59 29.309 17.277 8.640 1156 1HB LEU 59 HB2 LEU 59 27.466 18.294 7.050 1157 2HB LEU 59 HB1 LEU 59 26.522 16.900 7.542 1158 HG LEU 59 HG LEU 59 25.970 18.783 8.975 1159 1HD1 LEU 59 HD11 LEU 59 27.704 17.141 10.788 1160 2HD1 LEU 59 HD12 LEU 59 26.363 16.378 9.951 1161 3HD1 LEU 59 HD13 LEU 59 26.069 17.734 11.032 1162 1HD2 LEU 59 HD21 LEU 59 28.418 19.804 8.632 1163 2HD2 LEU 59 HD22 LEU 59 28.735 18.970 10.158 1164 3HD2 LEU 59 HD23 LEU 59 27.458 20.168 10.061 1165 H ASP 60 HN ASP 60 27.791 14.650 6.811 1166 HA ASP 60 HA ASP 60 26.783 13.114 8.892 1167 1HB ASP 60 HB2 ASP 60 26.464 12.567 6.492 1168 2HB ASP 60 HB1 ASP 60 28.159 12.095 6.380 1169 H GLU 61 HN GLU 61 30.090 13.704 7.976 1170 HA GLU 61 HA GLU 61 31.319 11.493 9.256 1171 1HB GLU 61 HB2 GLU 61 33.333 12.499 8.655 1172 2HB GLU 61 HB1 GLU 61 32.259 13.410 7.606 1173 1HG GLU 61 HG2 GLU 61 32.150 15.182 9.461 1174 2HG GLU 61 HG1 GLU 61 33.417 14.289 10.275 1175 H ALA 62 HN ALA 62 30.426 14.708 10.410 1176 HA ALA 62 HA ALA 62 31.646 14.406 12.981 1177 1HB ALA 62 HB1 ALA 62 30.159 16.434 13.508 1178 2HB ALA 62 HB2 ALA 62 29.632 16.330 11.836 1179 3HB ALA 62 HB3 ALA 62 31.323 16.634 12.197 1180 H TYR 63 HN TYR 63 28.242 14.356 11.899 1181 HA TYR 63 HA TYR 63 27.006 13.784 14.285 1182 1HB TYR 63 HB2 TYR 63 25.314 13.980 12.734 1183 2HB TYR 63 HB1 TYR 63 26.377 13.487 11.418 1184 HD1 TYR 63 HD2 TYR 63 24.643 12.078 14.409 1185 HD2 TYR 63 HD1 TYR 63 25.974 11.366 10.395 1186 HE1 TYR 63 HE2 TYR 63 23.573 9.843 14.457 1187 HE2 TYR 63 HE1 TYR 63 24.927 9.122 10.445 1188 HH TYR 63 HH TYR 63 23.124 7.958 11.663 1189 H ASN 64 HN ASN 64 28.561 11.529 12.019 1190 HA ASN 64 HA ASN 64 27.887 9.134 13.354 1191 1HB ASN 64 HB2 ASN 64 28.657 9.174 11.027 1192 2HB ASN 64 HB1 ASN 64 30.232 9.771 11.546 1193 1HD2 ASN 64 HD21 ASN 64 28.078 6.931 11.665 1194 2HD2 ASN 64 HD22 ASN 64 29.296 5.823 12.074 1195 H LYS 65 HN LYS 65 30.508 11.440 13.718 1196 HA LYS 65 HA LYS 65 32.168 9.867 15.359 1197 1HB LYS 65 HB2 LYS 65 32.704 12.108 14.170 1198 2HB LYS 65 HB1 LYS 65 31.928 12.884 15.547 1199 1HG LYS 65 HG2 LYS 65 34.155 12.840 16.291 1200 2HG LYS 65 HG1 LYS 65 33.572 11.329 16.973 1201 1HD LYS 65 HD2 LYS 65 34.476 10.121 14.986 1202 2HD LYS 65 HD1 LYS 65 35.081 11.651 14.358 1203 1HE LYS 65 HE2 LYS 65 36.471 11.931 16.377 1204 2HE LYS 65 HE1 LYS 65 35.871 10.394 16.999 1205 1HZ LYS 65 HZ1 LYS 65 36.679 9.534 14.700 1206 2HZ LYS 65 HZ2 LYS 65 37.788 9.742 15.970 1207 3HZ LYS 65 HZ3 LYS 65 37.670 10.909 14.740 1208 H VAL 66 HN VAL 66 29.376 11.893 16.032 1209 HA VAL 66 HA VAL 66 29.682 12.004 18.839 1210 HB VAL 66 HB VAL 66 27.172 12.268 17.154 1211 1HG1 VAL 66 HG11 VAL 66 27.750 12.911 20.060 1212 2HG1 VAL 66 HG12 VAL 66 26.528 11.804 19.433 1213 3HG1 VAL 66 HG13 VAL 66 26.353 13.538 19.184 1214 1HG2 VAL 66 HG21 VAL 66 28.793 13.948 16.545 1215 2HG2 VAL 66 HG22 VAL 66 29.186 14.267 18.234 1216 3HG2 VAL 66 HG23 VAL 66 27.606 14.718 17.596 1217 H LYS 67 HN LYS 67 27.966 9.827 16.701 1218 HA LYS 67 HA LYS 67 26.702 8.257 18.671 1219 1HB LYS 67 HB2 LYS 67 27.568 7.603 15.872 1220 2HB LYS 67 HB1 LYS 67 26.381 6.719 16.820 1221 1HG LYS 67 HG2 LYS 67 25.985 9.702 16.498 1222 2HG LYS 67 HG1 LYS 67 25.648 8.686 15.150 1223 1HD LYS 67 HD2 LYS 67 24.466 8.066 17.859 1224 2HD LYS 67 HD1 LYS 67 23.709 9.258 16.810 1225 1HE LYS 67 HE2 LYS 67 23.452 7.534 15.037 1226 2HE LYS 67 HE1 LYS 67 24.190 6.332 16.091 1227 1HZ LYS 67 HZ1 LYS 67 21.694 7.841 16.671 1228 2HZ LYS 67 HZ2 LYS 67 22.413 6.692 17.696 1229 3HZ LYS 67 HZ3 LYS 67 21.780 6.215 16.193 1230 H ARG 68 HN ARG 68 29.688 7.856 16.815 1231 HA ARG 68 HA ARG 68 30.442 5.401 18.112 1232 1HB ARG 68 HB2 ARG 68 31.685 7.320 16.151 1233 2HB ARG 68 HB1 ARG 68 32.694 6.087 16.889 1234 1HG ARG 68 HG2 ARG 68 30.067 5.315 15.580 1235 2HG ARG 68 HG1 ARG 68 31.501 5.566 14.591 1236 1HD ARG 68 HD2 ARG 68 32.698 3.815 15.736 1237 2HD ARG 68 HD1 ARG 68 31.435 3.651 16.947 1238 HE ARG 68 HE ARG 68 30.270 2.317 15.455 1239 1HH1 ARG 68 HH21 ARG 68 32.593 4.265 13.786 1240 2HH1 ARG 68 HH22 ARG 68 32.325 3.510 12.250 1241 1HH2 ARG 68 HH11 ARG 68 29.920 1.318 13.447 1242 2HH2 ARG 68 HH12 ARG 68 30.813 1.842 12.058 1243 H GLY 69 HN GLY 69 30.745 8.747 18.819 1244 1HA GLY 69 HA2 GLY 69 33.063 8.445 20.593 1245 2HA GLY 69 HA1 GLY 69 32.176 9.927 20.248 1246 H GLU 70 HN GLU 70 29.567 8.810 20.769 1247 HA GLU 70 HA GLU 70 29.567 9.032 23.678 1248 1HB GLU 70 HB2 GLU 70 27.215 9.408 23.476 1249 2HB GLU 70 HB1 GLU 70 27.987 10.295 22.165 1250 1HG GLU 70 HG2 GLU 70 26.314 9.222 20.968 1251 2HG GLU 70 HG1 GLU 70 27.592 8.040 20.832 1252 H SER 71 HN SER 71 27.597 7.596 24.608 1253 HA SER 71 HA SER 71 27.301 4.965 23.622 1254 1HB SER 71 HB2 SER 71 29.510 5.407 25.626 1255 2HB SER 71 HB1 SER 71 28.641 3.875 25.581 1256 HG SER 71 HG SER 71 30.296 3.627 24.179 1257 H LYS 72 HN LYS 72 26.636 3.482 25.632 1258 HA LYS 72 HA LYS 72 24.558 5.018 27.077 1259 1HB LYS 72 HB2 LYS 72 24.903 2.064 26.494 1260 2HB LYS 72 HB1 LYS 72 23.617 2.732 27.500 1261 1HG LYS 72 HG2 LYS 72 22.767 4.045 25.638 1262 2HG LYS 72 HG1 LYS 72 24.132 3.565 24.632 1263 1HD LYS 72 HD2 LYS 72 22.168 2.229 24.047 1264 2HD LYS 72 HD1 LYS 72 23.398 1.200 24.773 1265 1HE LYS 72 HE2 LYS 72 22.191 1.002 26.808 1266 2HE LYS 72 HE1 LYS 72 21.189 2.413 26.456 1267 1HZ LYS 72 HZ1 LYS 72 20.675 0.806 24.364 1268 2HZ LYS 72 HZ2 LYS 72 19.723 0.896 25.768 1269 3HZ LYS 72 HZ3 LYS 72 20.890 -0.329 25.607 1270 H LEU 73 HN LEU 73 27.268 2.806 27.576 1271 HA LEU 73 HA LEU 73 26.974 3.035 30.511 1272 1HB LEU 73 HB2 LEU 73 28.799 1.270 30.500 1273 2HB LEU 73 HB1 LEU 73 27.242 0.760 29.856 1274 HG LEU 73 HG LEU 73 29.153 1.927 27.846 1275 1HD1 LEU 73 HD11 LEU 73 30.716 0.566 29.130 1276 2HD1 LEU 73 HD12 LEU 73 30.365 -0.224 27.593 1277 3HD1 LEU 73 HD13 LEU 73 29.609 -0.807 29.077 1278 1HD2 LEU 73 HD21 LEU 73 28.206 0.244 26.402 1279 2HD2 LEU 73 HD22 LEU 73 26.874 0.960 27.306 1280 3HD2 LEU 73 HD23 LEU 73 27.502 -0.621 27.767 1281 H GLU 74 HN GLU 74 28.827 3.516 31.788 1282 HA GLU 74 HA GLU 74 31.076 4.877 30.455 1283 1HB GLU 74 HB2 GLU 74 29.274 6.226 32.488 1284 2HB GLU 74 HB1 GLU 74 30.813 6.866 31.913 1285 1HG GLU 74 HG2 GLU 74 29.889 6.788 29.566 1286 2HG GLU 74 HG1 GLU 74 28.332 6.341 30.256 1287 H HIS 75 HN HIS 75 32.236 3.055 31.270 1288 HA HIS 75 HA HIS 75 32.338 2.435 34.059 1289 1HB HIS 75 HB2 HIS 75 34.356 1.818 31.884 1290 2HB HIS 75 HB1 HIS 75 34.259 1.044 33.466 1291 HD1 HIS 75 HD1 HIS 75 31.151 0.734 33.593 1292 HD2 HIS 75 HD2 HIS 75 33.493 -0.343 30.317 1293 HE1 HIS 75 HE1 HIS 75 29.819 -0.985 32.295 1294 HE2 HIS 75 HE2 HIS 75 31.235 -1.651 30.295 1295 H HIS 76 HN HIS 76 33.305 3.555 35.612 1296 HA HIS 76 HA HIS 76 35.902 4.691 35.355 1297 1HB HIS 76 HB2 HIS 76 34.615 6.398 34.080 1298 2HB HIS 76 HB1 HIS 76 33.617 6.675 35.507 1299 HD1 HIS 76 HD1 HIS 76 37.325 6.706 34.590 1300 HD2 HIS 76 HD2 HIS 76 34.666 8.609 37.176 1301 HE1 HIS 76 HE1 HIS 76 38.655 8.491 35.797 1302 HE2 HIS 76 HE2 HIS 76 37.047 9.661 37.379 1303 H HIS 77 HN HIS 77 36.584 5.792 37.348 1304 HA HIS 77 HA HIS 77 35.564 4.455 39.669 1305 1HB HIS 77 HB2 HIS 77 37.955 5.060 39.391 1306 2HB HIS 77 HB1 HIS 77 37.516 6.765 39.491 1307 HD1 HIS 77 HD1 HIS 77 37.012 7.730 41.798 1308 HD2 HIS 77 HD2 HIS 77 37.565 3.597 41.869 1309 HE1 HIS 77 HE1 HIS 77 37.126 7.063 44.239 1310 HE2 HIS 77 HE2 HIS 77 37.464 4.547 44.299 1311 H HIS 78 HN HIS 78 34.140 5.139 41.157 1312 HA HIS 78 HA HIS 78 32.464 7.372 40.626 1313 1HB HIS 78 HB2 HIS 78 31.732 5.337 41.861 1314 2HB HIS 78 HB1 HIS 78 32.760 5.819 43.210 1315 HD1 HIS 78 HD1 HIS 78 32.119 8.093 44.433 1316 HD2 HIS 78 HD2 HIS 78 29.285 6.704 41.708 1317 HE1 HIS 78 HE1 HIS 78 29.985 9.375 44.902 1318 HE2 HIS 78 HE2 HIS 78 28.248 8.540 43.249 1319 H HIS 79 HN HIS 79 32.610 9.441 41.246 1320 HA HIS 79 HA HIS 79 34.996 10.422 42.484 1321 1HB HIS 79 HB2 HIS 79 32.375 11.814 41.875 1322 2HB HIS 79 HB1 HIS 79 33.869 12.621 42.354 1323 HD1 HIS 79 HD1 HIS 79 35.988 12.124 40.691 1324 HD2 HIS 79 HD2 HIS 79 32.190 11.363 39.147 1325 HE1 HIS 79 HE1 HIS 79 36.249 12.002 38.174 1326 HE2 HIS 79 HE2 HIS 79 33.942 11.539 37.219 1327 H HIS 80 HN HIS 80 35.403 10.910 44.560 1328 HA HIS 80 HA HIS 80 33.733 9.930 46.626 1329 1HB HIS 80 HB2 HIS 80 36.211 10.191 46.803 1330 2HB HIS 80 HB1 HIS 80 35.989 11.939 46.859 1331 HD1 HIS 80 HD1 HIS 80 35.363 12.956 49.088 1332 HD2 HIS 80 HD2 HIS 80 34.987 8.803 49.088 1333 HE1 HIS 80 HE1 HIS 80 34.876 12.281 51.480 1334 HE2 HIS 80 HE2 HIS 80 34.644 9.752 51.497 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -4.547 2.832 -3.836 2 2H MET 1 HT2 MET 1 -5.960 2.212 -4.549 3 3H MET 1 HT3 MET 1 -5.586 1.839 -2.933 4 HA MET 1 HA MET 1 -6.104 4.596 -3.897 5 1HB MET 1 HB2 MET 1 -8.330 4.256 -2.687 6 2HB MET 1 HB1 MET 1 -8.161 3.407 -4.222 7 1HG MET 1 HG2 MET 1 -7.432 2.033 -1.621 8 2HG MET 1 HG1 MET 1 -9.098 2.063 -2.199 9 1HE MET 1 HE1 MET 1 -6.518 -0.259 -1.818 10 2HE MET 1 HE2 MET 1 -7.233 -1.466 -2.883 11 3HE MET 1 HE3 MET 1 -8.253 -0.593 -1.742 12 H SER 2 HN SER 2 -4.195 3.033 -2.007 13 HA SER 2 HA SER 2 -4.934 4.088 0.619 14 1HB SER 2 HB2 SER 2 -2.458 2.604 -0.296 15 2HB SER 2 HB1 SER 2 -2.873 2.993 1.371 16 HG SER 2 HG SER 2 -4.710 1.634 -0.265 17 H GLU 3 HN GLU 3 -3.479 5.293 -2.131 18 HA GLU 3 HA GLU 3 -2.187 7.135 -2.592 19 1HB GLU 3 HB2 GLU 3 -3.156 7.913 0.175 20 2HB GLU 3 HB1 GLU 3 -2.295 8.997 -0.912 21 1HG GLU 3 HG2 GLU 3 -4.645 9.409 -1.192 22 2HG GLU 3 HG1 GLU 3 -4.083 8.568 -2.633 23 H LEU 4 HN LEU 4 -0.117 8.076 -2.257 24 HA LEU 4 HA LEU 4 1.488 7.660 -0.017 25 1HB LEU 4 HB2 LEU 4 1.204 5.295 -1.674 26 2HB LEU 4 HB1 LEU 4 2.864 5.843 -1.823 27 HG LEU 4 HG LEU 4 1.512 5.482 0.878 28 1HD1 LEU 4 HD11 LEU 4 3.185 3.527 -0.714 29 2HD1 LEU 4 HD12 LEU 4 1.492 3.336 -0.255 30 3HD1 LEU 4 HD13 LEU 4 2.748 3.330 0.985 31 1HD2 LEU 4 HD21 LEU 4 3.582 6.924 0.711 32 2HD2 LEU 4 HD22 LEU 4 4.441 5.530 0.063 33 3HD2 LEU 4 HD23 LEU 4 3.808 5.489 1.707 34 H PHE 5 HN PHE 5 1.421 7.885 -3.539 35 HA PHE 5 HA PHE 5 3.984 9.002 -3.889 36 1HB PHE 5 HB2 PHE 5 1.473 9.355 -5.543 37 2HB PHE 5 HB1 PHE 5 3.100 9.794 -6.061 38 HD1 PHE 5 HD1 PHE 5 4.834 8.048 -6.408 39 HD2 PHE 5 HD2 PHE 5 0.768 7.036 -5.467 40 HE1 PHE 5 HE1 PHE 5 5.247 5.712 -7.133 41 HE2 PHE 5 HE2 PHE 5 1.180 4.700 -6.192 42 HZ PHE 5 HZ PHE 5 3.420 4.038 -7.025 43 H SER 6 HN SER 6 0.837 10.420 -3.186 44 HA SER 6 HA SER 6 1.512 13.119 -3.575 45 1HB SER 6 HB2 SER 6 -0.465 12.207 -1.472 46 2HB SER 6 HB1 SER 6 -0.581 13.572 -2.580 47 HG SER 6 HG SER 6 -1.182 12.282 -4.154 48 H VAL 7 HN VAL 7 2.591 14.569 -2.342 49 HA VAL 7 HA VAL 7 4.275 13.716 -0.253 50 HB VAL 7 HB VAL 7 3.573 16.642 -0.308 51 1HG1 VAL 7 HG11 VAL 7 6.230 15.244 -0.631 52 2HG1 VAL 7 HG12 VAL 7 5.523 15.664 0.929 53 3HG1 VAL 7 HG13 VAL 7 5.946 16.936 -0.219 54 1HG2 VAL 7 HG21 VAL 7 4.910 16.884 -2.479 55 2HG2 VAL 7 HG22 VAL 7 3.278 16.247 -2.657 56 3HG2 VAL 7 HG23 VAL 7 4.661 15.154 -2.717 57 HA PRO 8 HA PRO 8 0.896 15.998 2.576 58 1HB PRO 8 HB2 PRO 8 -1.412 14.748 1.074 59 2HB PRO 8 HB1 PRO 8 -1.361 16.283 1.971 60 1HG PRO 8 HG2 PRO 8 -1.252 16.289 -0.679 61 2HG PRO 8 HG1 PRO 8 -0.221 17.389 0.261 62 1HD PRO 8 HD2 PRO 8 0.520 14.866 -1.142 63 2HD PRO 8 HD1 PRO 8 1.455 16.345 -0.966 64 H TYR 9 HN TYR 9 0.966 12.838 1.092 65 HA TYR 9 HA TYR 9 -0.326 11.417 3.218 66 1HB TYR 9 HB2 TYR 9 -0.126 10.595 0.837 67 2HB TYR 9 HB1 TYR 9 1.587 10.311 1.144 68 HD1 TYR 9 HD1 TYR 9 2.306 8.664 2.880 69 HD2 TYR 9 HD2 TYR 9 -1.818 9.134 1.773 70 HE1 TYR 9 HE1 TYR 9 1.770 6.494 3.953 71 HE2 TYR 9 HE2 TYR 9 -2.353 6.967 2.848 72 HH TYR 9 HH TYR 9 -0.837 5.558 4.991 73 H PHE 10 HN PHE 10 2.910 12.515 2.564 74 HA PHE 10 HA PHE 10 4.132 10.810 4.585 75 1HB PHE 10 HB2 PHE 10 5.058 12.609 2.432 76 2HB PHE 10 HB1 PHE 10 5.998 12.823 3.905 77 HD1 PHE 10 HD2 PHE 10 4.363 9.840 2.302 78 HD2 PHE 10 HD1 PHE 10 8.019 11.595 3.726 79 HE1 PHE 10 HE2 PHE 10 5.573 7.737 1.793 80 HE2 PHE 10 HE1 PHE 10 9.218 9.492 3.212 81 HZ PHE 10 HZ PHE 10 8.008 7.566 2.253 82 H ILE 11 HN ILE 11 2.843 14.048 4.326 83 HA ILE 11 HA ILE 11 4.055 15.018 6.753 84 HB ILE 11 HB ILE 11 1.624 16.072 5.302 85 1HG1 ILE 11 HG12 ILE 11 4.582 16.701 5.015 86 2HG1 ILE 11 HG11 ILE 11 3.584 15.879 3.821 87 1HG2 ILE 11 HG21 ILE 11 3.597 17.454 7.157 88 2HG2 ILE 11 HG22 ILE 11 1.996 16.913 7.654 89 3HG2 ILE 11 HG23 ILE 11 2.156 18.170 6.439 90 1HD1 ILE 11 HD11 ILE 11 2.109 17.966 3.820 91 2HD1 ILE 11 HD12 ILE 11 3.713 18.142 3.110 92 3HD1 ILE 11 HD13 ILE 11 3.402 18.742 4.737 93 H GLU 12 HN GLU 12 0.750 14.020 5.905 94 HA GLU 12 HA GLU 12 -0.450 14.294 8.387 95 1HB GLU 12 HB2 GLU 12 -2.145 12.763 7.598 96 2HB GLU 12 HB1 GLU 12 -1.608 13.754 6.245 97 1HG GLU 12 HG2 GLU 12 -1.531 11.636 5.252 98 2HG GLU 12 HG1 GLU 12 0.115 11.773 5.850 99 H ASN 13 HN ASN 13 1.904 11.998 7.360 100 HA ASN 13 HA ASN 13 1.344 9.929 9.241 101 1HB ASN 13 HB2 ASN 13 3.873 10.664 7.755 102 2HB ASN 13 HB1 ASN 13 3.728 9.239 8.770 103 1HD2 ASN 13 HD21 ASN 13 4.225 8.990 5.968 104 2HD2 ASN 13 HD22 ASN 13 2.853 8.305 5.239 105 H LEU 14 HN LEU 14 3.315 12.850 9.332 106 HA LEU 14 HA LEU 14 4.593 12.273 11.817 107 1HB LEU 14 HB2 LEU 14 4.182 14.874 10.314 108 2HB LEU 14 HB1 LEU 14 5.104 14.751 11.808 109 HG LEU 14 HG LEU 14 6.593 13.062 10.733 110 1HD1 LEU 14 HD11 LEU 14 6.383 13.131 8.090 111 2HD1 LEU 14 HD12 LEU 14 4.715 13.542 8.442 112 3HD1 LEU 14 HD13 LEU 14 5.388 12.024 9.028 113 1HD2 LEU 14 HD21 LEU 14 7.476 15.257 10.672 114 2HD2 LEU 14 HD22 LEU 14 6.296 15.812 9.482 115 3HD2 LEU 14 HD23 LEU 14 7.602 14.725 9.003 116 H LYS 15 HN LYS 15 1.652 13.978 10.883 117 HA LYS 15 HA LYS 15 1.026 15.161 13.331 118 1HB LYS 15 HB2 LYS 15 -0.918 14.011 11.321 119 2HB LYS 15 HB1 LYS 15 -1.250 15.272 12.502 120 1HG LYS 15 HG2 LYS 15 0.769 15.515 10.248 121 2HG LYS 15 HG1 LYS 15 -0.865 16.172 10.199 122 1HD LYS 15 HD2 LYS 15 -0.286 17.512 12.279 123 2HD LYS 15 HD1 LYS 15 1.379 16.973 12.080 124 1HE LYS 15 HE2 LYS 15 1.486 17.975 9.861 125 2HE LYS 15 HE1 LYS 15 -0.194 18.496 10.003 126 1HZ LYS 15 HZ1 LYS 15 0.362 19.901 11.816 127 2HZ LYS 15 HZ2 LYS 15 1.475 20.227 10.574 128 3HZ LYS 15 HZ3 LYS 15 1.938 19.283 11.910 129 H GLN 16 HN GLN 16 0.509 11.879 12.146 130 HA GLN 16 HA GLN 16 -1.176 11.001 14.236 131 1HB GLN 16 HB2 GLN 16 -0.823 9.767 12.109 132 2HB GLN 16 HB1 GLN 16 0.815 9.379 12.638 133 1HG GLN 16 HG2 GLN 16 -0.028 8.142 14.545 134 2HG GLN 16 HG1 GLN 16 -1.676 8.659 14.204 135 1HE2 GLN 16 HE21 GLN 16 -2.741 6.791 13.514 136 2HE2 GLN 16 HE22 GLN 16 -2.165 5.751 12.303 137 H HIS 17 HN HIS 17 2.255 11.543 14.060 138 HA HIS 17 HA HIS 17 2.974 9.919 16.309 139 1HB HIS 17 HB2 HIS 17 4.436 12.336 15.223 140 2HB HIS 17 HB1 HIS 17 5.106 11.047 16.208 141 HD1 HIS 17 HD1 HIS 17 6.402 11.462 13.510 142 HD2 HIS 17 HD2 HIS 17 3.131 8.934 14.047 143 HE1 HIS 17 HE1 HIS 17 6.438 9.823 11.579 144 HE2 HIS 17 HE2 HIS 17 4.451 8.274 11.893 145 H ILE 18 HN ILE 18 2.564 13.457 15.951 146 HA ILE 18 HA ILE 18 2.804 13.957 18.771 147 HB ILE 18 HB ILE 18 2.265 16.241 18.229 148 1HG1 ILE 18 HG12 ILE 18 1.204 15.074 15.654 149 2HG1 ILE 18 HG11 ILE 18 0.310 16.000 16.843 150 1HG2 ILE 18 HG21 ILE 18 4.008 16.697 16.658 151 2HG2 ILE 18 HG22 ILE 18 3.741 15.181 15.793 152 3HG2 ILE 18 HG23 ILE 18 4.456 15.168 17.396 153 1HD1 ILE 18 HD11 ILE 18 2.356 16.958 14.851 154 2HD1 ILE 18 HD12 ILE 18 1.965 17.914 16.284 155 3HD1 ILE 18 HD13 ILE 18 0.709 17.534 15.104 156 H GLU 19 HN GLU 19 0.087 13.589 16.533 157 HA GLU 19 HA GLU 19 -1.964 14.293 18.374 158 1HB GLU 19 HB2 GLU 19 -2.006 12.585 15.868 159 2HB GLU 19 HB1 GLU 19 -3.462 12.981 16.770 160 1HG GLU 19 HG2 GLU 19 -1.554 15.086 15.697 161 2HG GLU 19 HG1 GLU 19 -2.975 14.532 14.820 162 H MET 20 HN MET 20 -0.821 11.076 17.306 163 HA MET 20 HA MET 20 -2.198 9.844 19.624 164 1HB MET 20 HB2 MET 20 -0.852 8.457 17.294 165 2HB MET 20 HB1 MET 20 -1.950 7.756 18.478 166 1HG MET 20 HG2 MET 20 -3.727 9.345 17.680 167 2HG MET 20 HG1 MET 20 -2.626 9.854 16.401 168 1HE MET 20 HE1 MET 20 -5.354 8.916 15.475 169 2HE MET 20 HE2 MET 20 -4.863 7.867 14.147 170 3HE MET 20 HE3 MET 20 -3.961 9.346 14.471 171 H ASN 21 HN ASN 21 0.882 9.298 17.902 172 HA ASN 21 HA ASN 21 3.035 9.118 18.684 173 1HB ASN 21 HB2 ASN 21 2.093 10.842 20.519 174 2HB ASN 21 HB1 ASN 21 2.205 9.448 21.576 175 1HD2 ASN 21 HD21 ASN 21 4.082 9.709 22.768 176 2HD2 ASN 21 HD22 ASN 21 5.594 10.128 22.121 177 H GLN 22 HN GLN 22 1.449 6.931 18.188 178 HA GLN 22 HA GLN 22 1.202 5.060 20.206 179 1HB GLN 22 HB2 GLN 22 0.317 4.837 17.873 180 2HB GLN 22 HB1 GLN 22 1.956 4.469 17.337 181 1HG GLN 22 HG2 GLN 22 2.033 2.516 18.821 182 2HG GLN 22 HG1 GLN 22 0.425 2.899 19.433 183 1HE2 GLN 22 HE21 GLN 22 0.945 0.396 18.176 184 2HE2 GLN 22 HE22 GLN 22 0.107 0.349 16.700 185 H SER 23 HN SER 23 3.963 5.722 18.080 186 HA SER 23 HA SER 23 5.800 4.617 20.083 187 1HB SER 23 HB2 SER 23 6.885 3.115 18.509 188 2HB SER 23 HB1 SER 23 5.186 2.677 18.661 189 HG SER 23 HG SER 23 5.769 2.756 16.484 190 H GLU 24 HN GLU 24 5.954 7.098 19.919 191 HA GLU 24 HA GLU 24 8.404 7.689 18.566 192 1HB GLU 24 HB2 GLU 24 6.448 7.874 16.788 193 2HB GLU 24 HB1 GLU 24 6.116 9.404 17.580 194 1HG GLU 24 HG2 GLU 24 7.634 9.932 15.796 195 2HG GLU 24 HG1 GLU 24 8.611 9.957 17.264 196 H ASP 25 HN ASP 25 7.305 10.603 18.415 197 HA ASP 25 HA ASP 25 7.042 11.249 21.267 198 1HB ASP 25 HB2 ASP 25 9.263 12.397 19.560 199 2HB ASP 25 HB1 ASP 25 8.918 12.784 21.245 200 H LYS 26 HN LYS 26 7.505 13.960 21.058 201 HA LYS 26 HA LYS 26 5.083 14.777 19.641 202 1HB LYS 26 HB2 LYS 26 5.628 15.516 21.979 203 2HB LYS 26 HB1 LYS 26 6.942 16.484 21.322 204 1HG LYS 26 HG2 LYS 26 5.317 17.721 19.912 205 2HG LYS 26 HG1 LYS 26 4.010 16.725 20.552 206 1HD LYS 26 HD2 LYS 26 4.539 17.541 22.838 207 2HD LYS 26 HD1 LYS 26 5.796 18.577 22.161 208 1HE LYS 26 HE2 LYS 26 2.880 18.713 21.346 209 2HE LYS 26 HE1 LYS 26 3.616 19.765 22.555 210 1HZ LYS 26 HZ1 LYS 26 5.228 20.463 20.859 211 2HZ LYS 26 HZ2 LYS 26 3.630 20.848 20.430 212 3HZ LYS 26 HZ3 LYS 26 4.412 19.525 19.706 213 H ILE 27 HN ILE 27 7.360 17.286 19.831 214 HA ILE 27 HA ILE 27 7.324 17.758 17.050 215 HB ILE 27 HB ILE 27 9.190 18.823 19.191 216 1HG1 ILE 27 HG12 ILE 27 6.571 19.772 17.962 217 2HG1 ILE 27 HG11 ILE 27 6.932 19.482 19.659 218 1HG2 ILE 27 HG21 ILE 27 10.128 19.001 16.821 219 2HG2 ILE 27 HG22 ILE 27 9.842 20.545 17.588 220 3HG2 ILE 27 HG23 ILE 27 8.696 19.935 16.399 221 1HD1 ILE 27 HD11 ILE 27 7.850 21.737 17.901 222 2HD1 ILE 27 HD12 ILE 27 8.680 21.360 19.412 223 3HD1 ILE 27 HD13 ILE 27 6.977 21.828 19.430 224 H HIS 28 HN HIS 28 9.682 16.198 19.180 225 HA HIS 28 HA HIS 28 11.788 15.963 17.369 226 1HB HIS 28 HB2 HIS 28 10.908 14.094 19.577 227 2HB HIS 28 HB1 HIS 28 12.445 13.951 18.727 228 HD1 HIS 28 HD1 HIS 28 14.106 16.030 18.963 229 HD2 HIS 28 HD2 HIS 28 10.859 16.050 21.577 230 HE1 HIS 28 HE1 HIS 28 14.660 17.705 20.781 231 HE2 HIS 28 HE2 HIS 28 12.690 17.728 22.383 232 H ALA 29 HN ALA 29 8.723 14.401 17.396 233 HA ALA 29 HA ALA 29 9.167 11.996 16.125 234 1HB ALA 29 HB1 ALA 29 6.935 12.784 16.834 235 2HB ALA 29 HB2 ALA 29 6.925 12.231 15.163 236 3HB ALA 29 HB3 ALA 29 6.940 13.958 15.521 237 H MET 30 HN MET 30 9.071 15.248 14.703 238 HA MET 30 HA MET 30 9.246 14.419 12.011 239 1HB MET 30 HB2 MET 30 9.831 16.685 11.511 240 2HB MET 30 HB1 MET 30 8.649 16.734 12.812 241 1HG MET 30 HG2 MET 30 10.256 18.252 13.606 242 2HG MET 30 HG1 MET 30 10.809 16.768 14.357 243 1HE MET 30 HE1 MET 30 14.097 18.526 13.644 244 2HE MET 30 HE2 MET 30 12.831 18.114 14.798 245 3HE MET 30 HE3 MET 30 12.621 19.497 13.728 246 H ASN 31 HN ASN 31 11.762 15.297 14.382 247 HA ASN 31 HA ASN 31 13.967 15.131 12.674 248 1HB ASN 31 HB2 ASN 31 14.108 15.982 14.968 249 2HB ASN 31 HB1 ASN 31 13.797 14.366 15.595 250 1HD2 ASN 31 HD21 ASN 31 15.973 15.496 12.946 251 2HD2 ASN 31 HD22 ASN 31 17.370 14.795 13.605 252 H SER 32 HN SER 32 12.479 12.560 14.650 253 HA SER 32 HA SER 32 14.243 10.504 13.798 254 1HB SER 32 HB2 SER 32 12.470 8.982 14.662 255 2HB SER 32 HB1 SER 32 12.892 10.257 15.802 256 HG SER 32 HG SER 32 10.632 10.032 14.120 257 H TYR 33 HN TYR 33 10.904 11.276 12.786 258 HA TYR 33 HA TYR 33 10.751 9.358 10.727 259 1HB TYR 33 HB2 TYR 33 8.761 10.433 11.644 260 2HB TYR 33 HB1 TYR 33 9.300 12.004 11.048 261 HD1 TYR 33 HD2 TYR 33 8.006 8.678 10.085 262 HD2 TYR 33 HD1 TYR 33 9.199 12.555 8.673 263 HE1 TYR 33 HE2 TYR 33 6.967 8.192 7.885 264 HE2 TYR 33 HE1 TYR 33 8.164 12.066 6.467 265 HH TYR 33 HH TYR 33 5.968 9.946 5.896 266 H TYR 34 HN TYR 34 11.583 12.818 10.642 267 HA TYR 34 HA TYR 34 11.942 13.079 7.884 268 1HB TYR 34 HB2 TYR 34 11.899 15.007 9.440 269 2HB TYR 34 HB1 TYR 34 13.460 14.507 10.091 270 HD1 TYR 34 HD2 TYR 34 15.498 14.578 8.672 271 HD2 TYR 34 HD1 TYR 34 11.725 16.114 7.305 272 HE1 TYR 34 HE2 TYR 34 16.656 15.801 6.851 273 HE2 TYR 34 HE1 TYR 34 12.884 17.332 5.481 274 HH TYR 34 HH TYR 34 16.426 17.351 5.245 275 H ARG 35 HN ARG 35 14.310 12.259 10.417 276 HA ARG 35 HA ARG 35 16.481 11.955 8.670 277 1HB ARG 35 HB2 ARG 35 16.682 12.208 11.144 278 2HB ARG 35 HB1 ARG 35 16.064 10.567 11.320 279 1HG ARG 35 HG2 ARG 35 18.513 10.549 11.430 280 2HG ARG 35 HG1 ARG 35 17.983 9.709 9.978 281 1HD ARG 35 HD2 ARG 35 18.758 11.413 8.554 282 2HD ARG 35 HD1 ARG 35 18.603 12.664 9.787 283 HE ARG 35 HE ARG 35 20.905 11.072 9.264 284 1HH1 ARG 35 HH21 ARG 35 19.033 12.548 11.773 285 2HH1 ARG 35 HH22 ARG 35 20.376 12.738 12.851 286 1HH2 ARG 35 HH11 ARG 35 22.669 11.321 10.671 287 2HH2 ARG 35 HH12 ARG 35 22.434 12.043 12.228 288 H SER 36 HN SER 36 13.887 9.829 9.623 289 HA SER 36 HA SER 36 15.068 7.390 8.707 290 1HB SER 36 HB2 SER 36 13.198 7.416 10.316 291 2HB SER 36 HB1 SER 36 12.143 8.081 9.075 292 HG SER 36 HG SER 36 13.045 6.108 7.859 293 H VAL 37 HN VAL 37 12.858 9.750 7.252 294 HA VAL 37 HA VAL 37 12.447 8.282 4.844 295 HB VAL 37 HB VAL 37 12.231 11.244 5.463 296 1HG1 VAL 37 HG11 VAL 37 10.803 11.267 3.320 297 2HG1 VAL 37 HG12 VAL 37 11.552 9.715 2.933 298 3HG1 VAL 37 HG13 VAL 37 12.547 11.159 3.089 299 1HG2 VAL 37 HG21 VAL 37 10.586 9.986 6.675 300 2HG2 VAL 37 HG22 VAL 37 10.228 8.967 5.284 301 3HG2 VAL 37 HG23 VAL 37 9.750 10.665 5.281 302 H VAL 38 HN VAL 38 14.393 11.247 5.306 303 HA VAL 38 HA VAL 38 15.699 11.292 2.881 304 HB VAL 38 HB VAL 38 17.525 12.495 3.992 305 1HG1 VAL 38 HG11 VAL 38 16.216 14.290 4.911 306 2HG1 VAL 38 HG12 VAL 38 14.886 13.206 5.307 307 3HG1 VAL 38 HG13 VAL 38 15.255 13.568 3.626 308 1HG2 VAL 38 HG21 VAL 38 17.951 11.216 5.961 309 2HG2 VAL 38 HG22 VAL 38 16.266 11.288 6.468 310 3HG2 VAL 38 HG23 VAL 38 17.281 12.730 6.565 311 H SER 39 HN SER 39 16.613 9.409 5.758 312 HA SER 39 HA SER 39 19.023 8.353 4.838 313 1HB SER 39 HB2 SER 39 16.913 7.176 6.655 314 2HB SER 39 HB1 SER 39 18.479 6.418 6.386 315 HG SER 39 HG SER 39 19.237 7.769 7.786 316 H THR 40 HN THR 40 15.696 7.271 4.292 317 HA THR 40 HA THR 40 16.416 4.905 2.848 318 HB THR 40 HB THR 40 13.819 6.463 2.910 319 HG1 THR 40 HG1 THR 40 14.907 5.269 4.821 320 1HG2 THR 40 HG21 THR 40 12.899 4.189 2.184 321 2HG2 THR 40 HG22 THR 40 14.558 3.746 1.784 322 3HG2 THR 40 HG23 THR 40 13.778 5.091 0.950 323 H LEU 41 HN LEU 41 15.435 8.186 1.918 324 HA LEU 41 HA LEU 41 15.338 7.742 -0.868 325 1HB LEU 41 HB2 LEU 41 16.005 10.278 0.648 326 2HB LEU 41 HB1 LEU 41 15.518 10.194 -1.042 327 HG LEU 41 HG LEU 41 13.837 9.303 1.320 328 1HD1 LEU 41 HD11 LEU 41 13.726 11.755 -0.455 329 2HD1 LEU 41 HD12 LEU 41 14.005 11.710 1.280 330 3HD1 LEU 41 HD13 LEU 41 12.425 11.277 0.635 331 1HD2 LEU 41 HD21 LEU 41 12.033 9.401 -0.637 332 2HD2 LEU 41 HD22 LEU 41 13.026 7.969 -0.413 333 3HD2 LEU 41 HD23 LEU 41 13.442 9.131 -1.669 334 H VAL 42 HN VAL 42 17.959 8.922 1.226 335 HA VAL 42 HA VAL 42 19.850 9.252 -0.862 336 HB VAL 42 HB VAL 42 20.239 8.798 2.111 337 1HG1 VAL 42 HG11 VAL 42 22.194 9.566 -0.083 338 2HG1 VAL 42 HG12 VAL 42 22.321 8.218 1.046 339 3HG1 VAL 42 HG13 VAL 42 22.514 9.870 1.626 340 1HG2 VAL 42 HG21 VAL 42 20.488 11.212 2.207 341 2HG2 VAL 42 HG22 VAL 42 18.977 10.854 1.374 342 3HG2 VAL 42 HG23 VAL 42 20.396 11.334 0.448 343 H GLN 43 HN GLN 43 18.886 6.512 1.115 344 HA GLN 43 HA GLN 43 21.078 4.834 0.267 345 1HB GLN 43 HB2 GLN 43 19.936 4.544 2.459 346 2HB GLN 43 HB1 GLN 43 18.478 4.055 1.597 347 1HG GLN 43 HG2 GLN 43 19.595 2.135 0.645 348 2HG GLN 43 HG1 GLN 43 21.155 2.667 1.267 349 1HE2 GLN 43 HE21 GLN 43 20.141 0.102 1.946 350 2HE2 GLN 43 HE22 GLN 43 19.747 0.095 3.597 351 H ASP 44 HN ASP 44 18.028 5.760 -1.001 352 HA ASP 44 HA ASP 44 17.413 3.443 -2.503 353 1HB ASP 44 HB2 ASP 44 15.836 5.358 -2.030 354 2HB ASP 44 HB1 ASP 44 16.727 6.311 -3.214 355 H GLN 45 HN GLN 45 17.384 3.505 -4.945 356 HA GLN 45 HA GLN 45 19.500 2.986 -6.325 357 1HB GLN 45 HB2 GLN 45 18.762 4.340 -8.290 358 2HB GLN 45 HB1 GLN 45 17.441 3.488 -7.496 359 1HG GLN 45 HG2 GLN 45 16.873 5.562 -6.243 360 2HG GLN 45 HG1 GLN 45 18.135 6.431 -7.105 361 1HE2 GLN 45 HE21 GLN 45 17.906 6.206 -9.649 362 2HE2 GLN 45 HE22 GLN 45 16.320 6.333 -10.245 363 H LEU 46 HN LEU 46 19.831 5.726 -7.961 364 HA LEU 46 HA LEU 46 21.164 7.588 -6.434 365 1HB LEU 46 HB2 LEU 46 22.749 5.138 -6.664 366 2HB LEU 46 HB1 LEU 46 23.605 6.410 -7.499 367 HG LEU 46 HG LEU 46 22.532 6.784 -4.680 368 1HD1 LEU 46 HD11 LEU 46 25.278 5.855 -5.569 369 2HD1 LEU 46 HD12 LEU 46 24.101 4.909 -4.657 370 3HD1 LEU 46 HD13 LEU 46 24.848 6.328 -3.925 371 1HD2 LEU 46 HD21 LEU 46 24.726 8.185 -6.262 372 2HD2 LEU 46 HD22 LEU 46 24.180 8.618 -4.642 373 3HD2 LEU 46 HD23 LEU 46 23.104 8.829 -6.020 374 H THR 47 HN THR 47 19.564 7.385 -8.746 375 HA THR 47 HA THR 47 20.773 7.682 -11.184 376 HB THR 47 HB THR 47 18.387 8.981 -9.930 377 HG1 THR 47 HG1 THR 47 18.645 7.251 -12.139 378 1HG2 THR 47 HG21 THR 47 18.951 10.724 -11.426 379 2HG2 THR 47 HG22 THR 47 17.817 9.724 -12.341 380 3HG2 THR 47 HG23 THR 47 19.548 9.592 -12.647 381 H LYS 48 HN LYS 48 20.285 10.234 -8.744 382 HA LYS 48 HA LYS 48 22.739 11.522 -9.381 383 1HB LYS 48 HB2 LYS 48 21.329 12.167 -11.360 384 2HB LYS 48 HB1 LYS 48 20.208 12.944 -10.244 385 1HG LYS 48 HG2 LYS 48 21.559 14.758 -10.859 386 2HG LYS 48 HG1 LYS 48 22.361 14.229 -9.393 387 1HD LYS 48 HD2 LYS 48 23.839 12.756 -10.970 388 2HD LYS 48 HD1 LYS 48 23.205 13.770 -12.262 389 1HE LYS 48 HE2 LYS 48 25.211 14.853 -11.609 390 2HE LYS 48 HE1 LYS 48 23.956 15.770 -10.774 391 1HZ LYS 48 HZ1 LYS 48 25.180 13.447 -9.455 392 2HZ LYS 48 HZ2 LYS 48 24.474 14.831 -8.767 393 3HZ LYS 48 HZ3 LYS 48 26.011 14.925 -9.482 394 H ASN 49 HN ASN 49 23.362 12.737 -7.663 395 HA ASN 49 HA ASN 49 22.032 12.754 -5.262 396 1HB ASN 49 HB2 ASN 49 23.977 14.785 -6.348 397 2HB ASN 49 HB1 ASN 49 23.446 14.737 -4.667 398 1HD2 ASN 49 HD21 ASN 49 26.205 14.257 -5.558 399 2HD2 ASN 49 HD22 ASN 49 26.591 12.667 -5.117 400 H ALA 50 HN ALA 50 21.258 14.530 -8.068 401 HA ALA 50 HA ALA 50 19.923 16.743 -6.750 402 1HB ALA 50 HB1 ALA 50 19.199 17.399 -8.944 403 2HB ALA 50 HB2 ALA 50 19.595 15.812 -9.607 404 3HB ALA 50 HB3 ALA 50 20.882 16.885 -9.059 405 H VAL 51 HN VAL 51 18.753 13.958 -8.663 406 HA VAL 51 HA VAL 51 16.030 14.334 -8.330 407 HB VAL 51 HB VAL 51 15.768 11.874 -8.585 408 1HG1 VAL 51 HG11 VAL 51 17.763 13.243 -10.406 409 2HG1 VAL 51 HG12 VAL 51 16.005 13.267 -10.552 410 3HG1 VAL 51 HG13 VAL 51 16.890 11.763 -10.808 411 1HG2 VAL 51 HG21 VAL 51 18.225 11.611 -7.368 412 2HG2 VAL 51 HG22 VAL 51 18.700 11.426 -9.034 413 3HG2 VAL 51 HG23 VAL 51 17.493 10.359 -8.316 414 H VAL 52 HN VAL 52 18.309 12.839 -6.096 415 HA VAL 52 HA VAL 52 16.242 12.167 -4.182 416 HB VAL 52 HB VAL 52 18.210 11.663 -2.652 417 1HG1 VAL 52 HG11 VAL 52 18.940 9.703 -3.929 418 2HG1 VAL 52 HG12 VAL 52 18.329 10.412 -5.415 419 3HG1 VAL 52 HG13 VAL 52 17.208 9.945 -4.145 420 1HG2 VAL 52 HG21 VAL 52 19.804 13.272 -3.557 421 2HG2 VAL 52 HG22 VAL 52 19.743 12.488 -5.133 422 3HG2 VAL 52 HG23 VAL 52 20.447 11.644 -3.760 423 H LEU 53 HN LEU 53 18.629 14.746 -4.540 424 HA LEU 53 HA LEU 53 18.196 15.954 -2.028 425 1HB LEU 53 HB2 LEU 53 20.152 16.499 -3.390 426 2HB LEU 53 HB1 LEU 53 19.113 17.240 -4.599 427 HG LEU 53 HG LEU 53 18.392 18.914 -2.893 428 1HD1 LEU 53 HD11 LEU 53 18.683 17.848 -0.781 429 2HD1 LEU 53 HD12 LEU 53 19.986 19.024 -0.825 430 3HD1 LEU 53 HD13 LEU 53 20.323 17.327 -1.165 431 1HD2 LEU 53 HD21 LEU 53 20.543 20.132 -2.845 432 2HD2 LEU 53 HD22 LEU 53 20.224 19.416 -4.426 433 3HD2 LEU 53 HD23 LEU 53 21.375 18.654 -3.326 434 H LYS 54 HN LYS 54 16.600 16.336 -5.128 435 HA LYS 54 HA LYS 54 15.086 18.629 -4.558 436 1HB LYS 54 HB2 LYS 54 14.619 16.228 -6.338 437 2HB LYS 54 HB1 LYS 54 13.495 17.588 -6.297 438 1HG LYS 54 HG2 LYS 54 15.198 19.126 -7.022 439 2HG LYS 54 HG1 LYS 54 16.463 17.912 -6.843 440 1HD LYS 54 HD2 LYS 54 15.492 16.574 -8.611 441 2HD LYS 54 HD1 LYS 54 14.127 17.679 -8.755 442 1HE LYS 54 HE2 LYS 54 15.660 19.497 -9.411 443 2HE LYS 54 HE1 LYS 54 17.032 18.400 -9.257 444 1HZ LYS 54 HZ1 LYS 54 16.517 18.357 -11.507 445 2HZ LYS 54 HZ2 LYS 54 14.840 18.347 -11.234 446 3HZ LYS 54 HZ3 LYS 54 15.763 16.959 -10.913 447 H ARG 55 HN ARG 55 14.432 15.196 -3.934 448 HA ARG 55 HA ARG 55 11.828 15.637 -2.857 449 1HB ARG 55 HB2 ARG 55 12.580 13.463 -3.808 450 2HB ARG 55 HB1 ARG 55 13.681 13.279 -2.442 451 1HG ARG 55 HG2 ARG 55 11.860 13.212 -0.867 452 2HG ARG 55 HG1 ARG 55 10.692 13.680 -2.104 453 1HD ARG 55 HD2 ARG 55 12.326 11.137 -2.257 454 2HD ARG 55 HD1 ARG 55 10.716 11.207 -1.549 455 HE ARG 55 HE ARG 55 10.603 12.362 -4.110 456 1HH1 ARG 55 HH21 ARG 55 11.206 9.322 -2.571 457 2HH1 ARG 55 HH22 ARG 55 10.600 8.377 -3.890 458 1HH2 ARG 55 HH11 ARG 55 9.803 11.130 -5.842 459 2HH2 ARG 55 HH12 ARG 55 9.805 9.400 -5.742 460 H ILE 56 HN ILE 56 15.066 15.296 -1.454 461 HA ILE 56 HA ILE 56 14.274 15.266 1.261 462 HB ILE 56 HB ILE 56 16.838 16.210 -0.051 463 1HG1 ILE 56 HG12 ILE 56 16.216 13.665 1.475 464 2HG1 ILE 56 HG11 ILE 56 16.176 13.783 -0.273 465 1HG2 ILE 56 HG21 ILE 56 16.771 17.283 2.107 466 2HG2 ILE 56 HG22 ILE 56 17.805 15.876 2.297 467 3HG2 ILE 56 HG23 ILE 56 16.143 15.828 2.879 468 1HD1 ILE 56 HD11 ILE 56 18.546 14.551 -0.217 469 2HD1 ILE 56 HD12 ILE 56 18.331 12.918 0.390 470 3HD1 ILE 56 HD13 ILE 56 18.557 14.256 1.513 471 H GLN 57 HN GLN 57 15.340 17.971 -0.816 472 HA GLN 57 HA GLN 57 15.096 20.007 1.082 473 1HB GLN 57 HB2 GLN 57 14.743 20.053 -1.927 474 2HB GLN 57 HB1 GLN 57 14.762 21.512 -0.934 475 1HG GLN 57 HG2 GLN 57 16.997 20.906 -0.093 476 2HG GLN 57 HG1 GLN 57 16.975 19.460 -1.090 477 1HE2 GLN 57 HE21 GLN 57 19.067 20.890 -1.799 478 2HE2 GLN 57 HE22 GLN 57 18.795 21.875 -3.155 479 H HIS 58 HN HIS 58 12.694 18.525 -1.050 480 HA HIS 58 HA HIS 58 10.596 20.354 -0.435 481 1HB HIS 58 HB2 HIS 58 10.492 17.509 -1.475 482 2HB HIS 58 HB1 HIS 58 9.119 18.615 -1.414 483 HD1 HIS 58 HD1 HIS 58 11.226 21.073 -2.164 484 HD2 HIS 58 HD2 HIS 58 10.319 17.664 -4.386 485 HE1 HIS 58 HE1 HIS 58 11.813 21.609 -4.569 486 HE2 HIS 58 HE2 HIS 58 11.266 19.540 -5.937 487 H LEU 59 HN LEU 59 11.654 17.270 0.924 488 HA LEU 59 HA LEU 59 9.485 16.719 2.564 489 1HB LEU 59 HB2 LEU 59 11.487 15.234 2.227 490 2HB LEU 59 HB1 LEU 59 12.388 16.290 3.310 491 HG LEU 59 HG LEU 59 10.716 15.819 5.113 492 1HD1 LEU 59 HD11 LEU 59 9.452 14.195 2.905 493 2HD1 LEU 59 HD12 LEU 59 8.695 15.172 4.161 494 3HD1 LEU 59 HD13 LEU 59 9.341 13.586 4.560 495 1HD2 LEU 59 HD21 LEU 59 11.937 13.325 3.914 496 2HD2 LEU 59 HD22 LEU 59 11.523 13.591 5.605 497 3HD2 LEU 59 HD23 LEU 59 12.826 14.515 4.861 498 H ASP 60 HN ASP 60 11.879 19.201 2.855 499 HA ASP 60 HA ASP 60 11.861 19.780 5.568 500 1HB ASP 60 HB2 ASP 60 12.542 22.009 4.995 501 2HB ASP 60 HB1 ASP 60 13.226 20.942 3.773 502 H GLU 61 HN GLU 61 9.358 20.273 3.190 503 HA GLU 61 HA GLU 61 7.799 22.187 4.560 504 1HB GLU 61 HB2 GLU 61 6.065 21.644 3.004 505 2HB GLU 61 HB1 GLU 61 7.583 21.452 2.129 506 1HG GLU 61 HG2 GLU 61 7.455 18.953 2.801 507 2HG GLU 61 HG1 GLU 61 5.792 19.283 3.254 508 H ALA 62 HN ALA 62 8.090 18.705 4.848 509 HA ALA 62 HA ALA 62 5.722 18.293 6.389 510 1HB ALA 62 HB1 ALA 62 6.631 16.098 6.840 511 2HB ALA 62 HB2 ALA 62 8.246 16.619 6.356 512 3HB ALA 62 HB3 ALA 62 6.961 16.499 5.155 513 H TYR 63 HN TYR 63 9.163 18.255 7.376 514 HA TYR 63 HA TYR 63 8.751 18.188 10.105 515 1HB TYR 63 HB2 TYR 63 11.043 18.094 9.988 516 2HB TYR 63 HB1 TYR 63 10.985 18.662 8.322 517 HD1 TYR 63 HD2 TYR 63 11.120 19.763 11.875 518 HD2 TYR 63 HD1 TYR 63 11.499 20.951 7.770 519 HE1 TYR 63 HE2 TYR 63 12.024 21.950 12.598 520 HE2 TYR 63 HE1 TYR 63 12.387 23.152 8.490 521 HH TYR 63 HH TYR 63 12.724 23.948 11.951 522 H ASN 64 HN ASN 64 8.786 20.965 7.928 523 HA ASN 64 HA ASN 64 8.711 22.987 9.907 524 1HB ASN 64 HB2 ASN 64 9.329 23.428 7.570 525 2HB ASN 64 HB1 ASN 64 7.688 23.041 7.058 526 1HD2 ASN 64 HD21 ASN 64 9.610 25.392 8.934 527 2HD2 ASN 64 HD22 ASN 64 8.442 26.623 8.889 528 H LYS 65 HN LYS 65 6.211 21.167 8.225 529 HA LYS 65 HA LYS 65 4.004 22.660 9.156 530 1HB LYS 65 HB2 LYS 65 4.343 19.846 8.112 531 2HB LYS 65 HB1 LYS 65 2.775 20.385 8.693 532 1HG LYS 65 HG2 LYS 65 4.258 22.105 6.683 533 2HG LYS 65 HG1 LYS 65 3.417 20.666 6.117 534 1HD LYS 65 HD2 LYS 65 1.322 21.465 7.098 535 2HD LYS 65 HD1 LYS 65 2.138 22.891 7.735 536 1HE LYS 65 HE2 LYS 65 2.715 23.587 5.448 537 2HE LYS 65 HE1 LYS 65 1.904 22.158 4.807 538 1HZ LYS 65 HZ1 LYS 65 0.723 24.537 5.211 539 2HZ LYS 65 HZ2 LYS 65 0.312 23.713 6.639 540 3HZ LYS 65 HZ3 LYS 65 -0.100 23.056 5.127 541 H VAL 66 HN VAL 66 5.893 20.065 10.582 542 HA VAL 66 HA VAL 66 4.072 19.426 12.658 543 HB VAL 66 HB VAL 66 7.082 19.088 12.520 544 1HG1 VAL 66 HG11 VAL 66 6.653 17.346 14.313 545 2HG1 VAL 66 HG12 VAL 66 5.045 18.046 14.505 546 3HG1 VAL 66 HG13 VAL 66 6.475 19.020 14.848 547 1HG2 VAL 66 HG21 VAL 66 6.393 16.710 12.088 548 2HG2 VAL 66 HG22 VAL 66 5.967 17.822 10.795 549 3HG2 VAL 66 HG23 VAL 66 4.732 17.259 11.925 550 H LYS 67 HN LYS 67 6.823 21.619 12.500 551 HA LYS 67 HA LYS 67 6.683 22.498 15.178 552 1HB LYS 67 HB2 LYS 67 7.774 23.838 12.722 553 2HB LYS 67 HB1 LYS 67 8.122 24.272 14.391 554 1HG LYS 67 HG2 LYS 67 8.534 21.366 13.728 555 2HG LYS 67 HG1 LYS 67 9.627 22.463 12.957 556 1HD LYS 67 HD2 LYS 67 9.121 22.620 15.933 557 2HD LYS 67 HD1 LYS 67 10.280 21.459 15.285 558 1HE LYS 67 HE2 LYS 67 11.079 23.910 16.040 559 2HE LYS 67 HE1 LYS 67 11.803 23.125 14.645 560 1HZ LYS 67 HZ1 LYS 67 9.945 24.291 13.346 561 2HZ LYS 67 HZ2 LYS 67 11.265 25.217 13.880 562 3HZ LYS 67 HZ3 LYS 67 9.790 25.274 14.720 563 H ARG 68 HN ARG 68 5.392 23.779 12.147 564 HA ARG 68 HA ARG 68 4.072 25.997 13.521 565 1HB ARG 68 HB2 ARG 68 5.174 26.088 11.182 566 2HB ARG 68 HB1 ARG 68 3.753 25.218 10.607 567 1HG ARG 68 HG2 ARG 68 2.304 27.020 11.495 568 2HG ARG 68 HG1 ARG 68 3.727 27.869 12.075 569 1HD ARG 68 HD2 ARG 68 3.083 28.858 9.981 570 2HD ARG 68 HD1 ARG 68 4.557 27.934 9.706 571 HE ARG 68 HE ARG 68 2.287 26.303 9.194 572 1HH1 ARG 68 HH21 ARG 68 4.086 28.995 7.971 573 2HH1 ARG 68 HH22 ARG 68 3.662 28.707 6.317 574 1HH2 ARG 68 HH11 ARG 68 1.727 25.917 7.024 575 2HH2 ARG 68 HH12 ARG 68 2.326 26.964 5.781 576 H GLY 69 HN GLY 69 3.424 22.805 13.292 577 1HA GLY 69 HA2 GLY 69 0.469 23.157 13.046 578 2HA GLY 69 HA1 GLY 69 1.332 21.671 12.677 579 H GLU 70 HN GLU 70 3.076 21.652 14.912 580 HA GLU 70 HA GLU 70 1.554 20.279 16.794 581 1HB GLU 70 HB2 GLU 70 3.543 20.387 18.233 582 2HB GLU 70 HB1 GLU 70 3.987 20.020 16.569 583 1HG GLU 70 HG2 GLU 70 5.530 21.709 17.108 584 2HG GLU 70 HG1 GLU 70 4.255 22.613 16.321 585 H SER 71 HN SER 71 2.443 23.675 16.601 586 HA SER 71 HA SER 71 1.707 24.472 19.194 587 1HB SER 71 HB2 SER 71 1.862 26.680 18.382 588 2HB SER 71 HB1 SER 71 2.906 25.788 17.279 589 HG SER 71 HG SER 71 0.150 26.185 16.776 590 H LYS 72 HN LYS 72 -0.197 25.222 20.065 591 HA LYS 72 HA LYS 72 -2.628 25.472 18.537 592 1HB LYS 72 HB2 LYS 72 -3.812 23.608 19.690 593 2HB LYS 72 HB1 LYS 72 -2.544 23.054 18.599 594 1HG LYS 72 HG2 LYS 72 -0.991 22.856 20.529 595 2HG LYS 72 HG1 LYS 72 -2.297 23.347 21.609 596 1HD LYS 72 HD2 LYS 72 -3.632 21.398 20.858 597 2HD LYS 72 HD1 LYS 72 -2.289 20.893 19.830 598 1HE LYS 72 HE2 LYS 72 -2.147 21.229 22.841 599 2HE LYS 72 HE1 LYS 72 -2.283 19.685 21.997 600 1HZ LYS 72 HZ1 LYS 72 -0.042 19.808 22.180 601 2HZ LYS 72 HZ2 LYS 72 -0.009 21.507 22.197 602 3HZ LYS 72 HZ3 LYS 72 -0.208 20.673 20.730 603 H LEU 73 HN LEU 73 -1.139 27.101 20.335 604 HA LEU 73 HA LEU 73 -2.764 27.191 22.797 605 1HB LEU 73 HB2 LEU 73 -0.977 29.134 23.240 606 2HB LEU 73 HB1 LEU 73 -0.540 27.444 23.464 607 HG LEU 73 HG LEU 73 0.448 27.368 21.218 608 1HD1 LEU 73 HD11 LEU 73 -0.833 28.876 19.920 609 2HD1 LEU 73 HD12 LEU 73 0.730 29.668 20.044 610 3HD1 LEU 73 HD13 LEU 73 -0.614 30.203 21.057 611 1HD2 LEU 73 HD21 LEU 73 1.377 29.730 22.874 612 2HD2 LEU 73 HD22 LEU 73 2.330 28.924 21.630 613 3HD2 LEU 73 HD23 LEU 73 1.867 28.049 23.089 614 H GLU 74 HN GLU 74 -2.883 28.397 19.718 615 HA GLU 74 HA GLU 74 -4.000 31.021 20.495 616 1HB GLU 74 HB2 GLU 74 -3.944 31.406 17.987 617 2HB GLU 74 HB1 GLU 74 -2.374 31.176 18.748 618 1HG GLU 74 HG2 GLU 74 -2.254 28.884 18.007 619 2HG GLU 74 HG1 GLU 74 -3.908 28.917 17.420 620 H HIS 75 HN HIS 75 -5.268 30.274 17.581 621 HA HIS 75 HA HIS 75 -7.425 29.867 16.877 622 1HB HIS 75 HB2 HIS 75 -7.204 27.714 18.994 623 2HB HIS 75 HB1 HIS 75 -8.416 27.770 17.714 624 HD1 HIS 75 HD1 HIS 75 -7.311 27.898 15.182 625 HD2 HIS 75 HD2 HIS 75 -4.902 26.387 18.231 626 HE1 HIS 75 HE1 HIS 75 -5.444 26.613 14.050 627 HE2 HIS 75 HE2 HIS 75 -3.966 25.686 15.895 628 H HIS 76 HN HIS 76 -6.830 31.474 19.500 629 HA HIS 76 HA HIS 76 -9.448 31.331 20.828 630 1HB HIS 76 HB2 HIS 76 -7.426 31.536 22.213 631 2HB HIS 76 HB1 HIS 76 -7.010 33.046 21.409 632 HD1 HIS 76 HD1 HIS 76 -9.905 31.564 23.403 633 HD2 HIS 76 HD2 HIS 76 -8.166 35.269 22.611 634 HE1 HIS 76 HE1 HIS 76 -11.145 33.256 24.823 635 HE2 HIS 76 HE2 HIS 76 -10.097 35.520 24.352 636 H HIS 77 HN HIS 77 -7.652 34.304 20.306 637 HA HIS 77 HA HIS 77 -9.280 35.326 18.201 638 1HB HIS 77 HB2 HIS 77 -10.971 35.317 20.015 639 2HB HIS 77 HB1 HIS 77 -9.906 36.328 20.991 640 HD1 HIS 77 HD1 HIS 77 -11.541 36.422 17.543 641 HD2 HIS 77 HD2 HIS 77 -10.287 39.031 20.542 642 HE1 HIS 77 HE1 HIS 77 -12.232 38.744 16.807 643 HE2 HIS 77 HE2 HIS 77 -11.474 40.347 18.625 644 H HIS 78 HN HIS 78 -7.364 36.105 21.081 645 HA HIS 78 HA HIS 78 -5.663 37.599 21.443 646 1HB HIS 78 HB2 HIS 78 -4.649 36.344 19.539 647 2HB HIS 78 HB1 HIS 78 -5.347 37.518 18.428 648 HD1 HIS 78 HD1 HIS 78 -3.072 37.513 21.492 649 HD2 HIS 78 HD2 HIS 78 -3.706 39.695 17.995 650 HE1 HIS 78 HE1 HIS 78 -1.253 39.275 21.406 651 HE2 HIS 78 HE2 HIS 78 -1.625 40.612 19.279 652 H HIS 79 HN HIS 79 -5.425 39.794 21.693 653 HA HIS 79 HA HIS 79 -7.583 41.482 21.135 654 1HB HIS 79 HB2 HIS 79 -4.700 42.216 21.701 655 2HB HIS 79 HB1 HIS 79 -6.074 43.319 21.803 656 HD1 HIS 79 HD1 HIS 79 -7.938 42.693 23.631 657 HD2 HIS 79 HD2 HIS 79 -4.339 40.615 23.959 658 HE1 HIS 79 HE1 HIS 79 -7.918 41.653 25.941 659 HE2 HIS 79 HE2 HIS 79 -5.729 40.382 26.156 660 H HIS 80 HN HIS 80 -4.343 42.158 19.857 661 HA HIS 80 HA HIS 80 -5.199 43.713 17.706 662 1HB HIS 80 HB2 HIS 80 -2.863 43.629 18.553 663 2HB HIS 80 HB1 HIS 80 -2.689 42.024 17.842 664 HD1 HIS 80 HD1 HIS 80 -3.703 45.524 16.695 665 HD2 HIS 80 HD2 HIS 80 -1.786 42.123 15.232 666 HE1 HIS 80 HE1 HIS 80 -2.918 46.094 14.356 667 HE2 HIS 80 HE2 HIS 80 -1.748 44.031 13.450 668 1H MET 1 HT1 MET 1 44.338 28.791 14.310 669 2H MET 1 HT2 MET 1 45.982 28.798 14.739 670 3H MET 1 HT3 MET 1 44.799 29.209 15.887 671 HA MET 1 HA MET 1 45.253 26.543 14.669 672 1HB MET 1 HB2 MET 1 45.487 27.590 17.508 673 2HB MET 1 HB1 MET 1 45.694 25.905 17.032 674 1HG MET 1 HG2 MET 1 47.351 28.184 15.912 675 2HG MET 1 HG1 MET 1 47.855 27.179 17.270 676 1HE MET 1 HE1 MET 1 49.666 25.331 16.666 677 2HE MET 1 HE2 MET 1 49.943 26.909 15.934 678 3HE MET 1 HE3 MET 1 50.206 25.447 14.985 679 H SER 2 HN SER 2 42.828 28.307 14.611 680 HA SER 2 HA SER 2 40.930 27.400 16.503 681 1HB SER 2 HB2 SER 2 39.258 28.271 14.894 682 2HB SER 2 HB1 SER 2 40.561 29.420 15.183 683 HG SER 2 HG SER 2 39.775 28.573 12.884 684 H GLU 3 HN GLU 3 42.047 26.133 13.432 685 HA GLU 3 HA GLU 3 41.643 24.151 12.336 686 1HB GLU 3 HB2 GLU 3 42.333 23.244 14.589 687 2HB GLU 3 HB1 GLU 3 40.627 23.175 15.018 688 1HG GLU 3 HG2 GLU 3 40.180 21.652 13.160 689 2HG GLU 3 HG1 GLU 3 41.862 21.757 12.643 690 H LEU 4 HN LEU 4 40.067 23.137 11.182 691 HA LEU 4 HA LEU 4 37.336 23.106 11.926 692 1HB LEU 4 HB2 LEU 4 37.750 25.589 11.386 693 2HB LEU 4 HB1 LEU 4 37.997 25.075 9.719 694 HG LEU 4 HG LEU 4 35.675 23.845 10.050 695 1HD1 LEU 4 HD11 LEU 4 35.470 26.074 12.097 696 2HD1 LEU 4 HD12 LEU 4 35.486 24.357 12.473 697 3HD1 LEU 4 HD13 LEU 4 34.148 25.039 11.561 698 1HD2 LEU 4 HD21 LEU 4 34.483 25.913 9.313 699 2HD2 LEU 4 HD22 LEU 4 35.990 25.635 8.440 700 3HD2 LEU 4 HD23 LEU 4 35.925 26.843 9.723 701 H PHE 5 HN PHE 5 39.790 22.951 9.426 702 HA PHE 5 HA PHE 5 38.291 21.714 7.399 703 1HB PHE 5 HB2 PHE 5 40.537 22.619 7.014 704 2HB PHE 5 HB1 PHE 5 41.228 21.386 8.067 705 HD1 PHE 5 HD1 PHE 5 39.382 21.940 4.883 706 HD2 PHE 5 HD2 PHE 5 41.606 19.145 7.270 707 HE1 PHE 5 HE1 PHE 5 39.474 20.373 2.963 708 HE2 PHE 5 HE2 PHE 5 41.698 17.579 5.350 709 HZ PHE 5 HZ PHE 5 40.632 18.192 3.196 710 H SER 6 HN SER 6 40.145 20.332 10.092 711 HA SER 6 HA SER 6 39.767 17.629 9.403 712 1HB SER 6 HB2 SER 6 39.994 18.548 12.275 713 2HB SER 6 HB1 SER 6 40.749 17.161 11.495 714 HG SER 6 HG SER 6 42.233 18.832 11.829 715 H VAL 7 HN VAL 7 38.057 16.295 9.616 716 HA VAL 7 HA VAL 7 35.492 17.278 10.242 717 HB VAL 7 HB VAL 7 35.897 14.309 10.509 718 1HG1 VAL 7 HG11 VAL 7 33.664 15.359 10.315 719 2HG1 VAL 7 HG12 VAL 7 34.002 14.217 9.014 720 3HG1 VAL 7 HG13 VAL 7 34.108 15.949 8.712 721 1HG2 VAL 7 HG21 VAL 7 36.638 15.849 8.004 722 2HG2 VAL 7 HG22 VAL 7 36.201 14.140 7.979 723 3HG2 VAL 7 HG23 VAL 7 37.621 14.671 8.874 724 HA PRO 8 HA PRO 8 36.248 14.790 14.466 725 1HB PRO 8 HB2 PRO 8 39.078 15.815 14.759 726 2HB PRO 8 HB1 PRO 8 38.373 14.294 15.352 727 1HG PRO 8 HG2 PRO 8 39.923 14.286 13.203 728 2HG PRO 8 HG1 PRO 8 38.450 13.293 13.242 729 1HD PRO 8 HD2 PRO 8 38.931 15.886 11.842 730 2HD PRO 8 HD1 PRO 8 38.002 14.491 11.297 731 H TYR 9 HN TYR 9 37.311 17.919 13.371 732 HA TYR 9 HA TYR 9 37.272 19.311 15.833 733 1HB TYR 9 HB2 TYR 9 38.316 20.179 13.740 734 2HB TYR 9 HB1 TYR 9 36.703 20.386 13.054 735 HD1 TYR 9 HD2 TYR 9 38.944 21.425 15.831 736 HD2 TYR 9 HD1 TYR 9 35.336 22.279 13.663 737 HE1 TYR 9 HE2 TYR 9 38.765 23.608 16.989 738 HE2 TYR 9 HE1 TYR 9 35.157 24.464 14.825 739 HH TYR 9 HH TYR 9 37.695 25.833 16.569 740 H PHE 10 HN PHE 10 34.791 18.709 13.374 741 HA PHE 10 HA PHE 10 32.761 20.308 14.502 742 1HB PHE 10 HB2 PHE 10 32.887 18.044 12.543 743 2HB PHE 10 HB1 PHE 10 31.307 18.355 13.259 744 HD1 PHE 10 HD1 PHE 10 34.088 20.700 12.333 745 HD2 PHE 10 HD2 PHE 10 30.035 19.475 11.601 746 HE1 PHE 10 HE1 PHE 10 33.780 22.619 10.795 747 HE2 PHE 10 HE2 PHE 10 29.738 21.395 10.067 748 HZ PHE 10 HZ PHE 10 31.598 22.966 9.660 749 H ILE 11 HN ILE 11 33.614 16.901 15.025 750 HA ILE 11 HA ILE 11 31.460 16.310 16.754 751 HB ILE 11 HB ILE 11 34.213 15.065 16.474 752 1HG1 ILE 11 HG12 ILE 11 31.496 14.070 15.581 753 2HG1 ILE 11 HG11 ILE 11 32.562 14.982 14.524 754 1HG2 ILE 11 HG21 ILE 11 31.791 14.187 18.085 755 2HG2 ILE 11 HG22 ILE 11 33.420 14.496 18.696 756 3HG2 ILE 11 HG23 ILE 11 33.116 13.104 17.667 757 1HD1 ILE 11 HD11 ILE 11 33.276 12.364 15.878 758 2HD1 ILE 11 HD12 ILE 11 34.299 13.267 14.763 759 3HD1 ILE 11 HD13 ILE 11 32.799 12.536 14.189 760 H GLU 12 HN GLU 12 34.757 17.445 17.347 761 HA GLU 12 HA GLU 12 34.862 17.281 20.103 762 1HB GLU 12 HB2 GLU 12 36.713 18.007 18.544 763 2HB GLU 12 HB1 GLU 12 35.948 19.594 18.470 764 1HG GLU 12 HG2 GLU 12 36.139 19.801 20.917 765 2HG GLU 12 HG1 GLU 12 36.897 18.213 20.986 766 H ASN 13 HN ASN 13 33.085 19.525 18.092 767 HA ASN 13 HA ASN 13 32.519 21.457 20.119 768 1HB ASN 13 HB2 ASN 13 30.986 20.838 17.585 769 2HB ASN 13 HB1 ASN 13 30.833 22.291 18.566 770 1HD2 ASN 13 HD21 ASN 13 31.926 21.779 15.692 771 2HD2 ASN 13 HD22 ASN 13 33.426 22.574 15.702 772 H LEU 14 HN LEU 14 30.975 18.502 19.012 773 HA LEU 14 HA LEU 14 28.523 18.810 20.420 774 1HB LEU 14 HB2 LEU 14 29.856 16.207 19.623 775 2HB LEU 14 HB1 LEU 14 28.134 16.509 19.861 776 HG LEU 14 HG LEU 14 29.848 17.789 17.709 777 1HD1 LEU 14 HD11 LEU 14 27.676 15.707 17.432 778 2HD1 LEU 14 HD12 LEU 14 29.401 15.332 17.429 779 3HD1 LEU 14 HD13 LEU 14 28.711 16.350 16.165 780 1HD2 LEU 14 HD21 LEU 14 26.919 18.034 18.449 781 2HD2 LEU 14 HD22 LEU 14 27.492 18.384 16.816 782 3HD2 LEU 14 HD23 LEU 14 28.098 19.319 18.176 783 H LYS 15 HN LYS 15 31.634 17.350 21.208 784 HA LYS 15 HA LYS 15 30.946 16.009 23.548 785 1HB LYS 15 HB2 LYS 15 33.134 15.857 22.408 786 2HB LYS 15 HB1 LYS 15 33.535 17.469 22.997 787 1HG LYS 15 HG2 LYS 15 33.248 16.674 25.336 788 2HG LYS 15 HG1 LYS 15 32.892 15.058 24.734 789 1HD LYS 15 HD2 LYS 15 35.473 16.547 24.164 790 2HD LYS 15 HD1 LYS 15 35.280 15.403 25.487 791 1HE LYS 15 HE2 LYS 15 34.518 13.712 23.661 792 2HE LYS 15 HE1 LYS 15 35.231 14.848 22.514 793 1HZ LYS 15 HZ1 LYS 15 36.565 13.410 24.718 794 2HZ LYS 15 HZ2 LYS 15 37.268 14.755 23.955 795 3HZ LYS 15 HZ3 LYS 15 36.916 13.354 23.061 796 H GLN 16 HN GLN 16 31.809 19.400 23.012 797 HA GLN 16 HA GLN 16 31.839 20.163 25.753 798 1HB GLN 16 HB2 GLN 16 32.870 21.459 23.853 799 2HB GLN 16 HB1 GLN 16 31.241 21.927 23.368 800 1HG GLN 16 HG2 GLN 16 30.872 22.952 25.587 801 2HG GLN 16 HG1 GLN 16 32.499 22.477 26.073 802 1HE2 GLN 16 HE21 GLN 16 33.570 24.482 26.190 803 2HE2 GLN 16 HE22 GLN 16 33.658 25.584 24.902 804 H HIS 17 HN HIS 17 29.306 19.955 23.322 805 HA HIS 17 HA HIS 17 27.327 21.406 24.735 806 1HB HIS 17 HB2 HIS 17 26.986 19.141 22.753 807 2HB HIS 17 HB1 HIS 17 25.726 20.263 23.256 808 HD1 HIS 17 HD1 HIS 17 26.285 20.337 20.339 809 HD2 HIS 17 HD2 HIS 17 28.524 22.603 23.029 810 HE1 HIS 17 HE1 HIS 17 27.308 22.231 19.005 811 HE2 HIS 17 HE2 HIS 17 28.675 23.623 20.630 812 H ILE 18 HN ILE 18 27.914 17.884 24.524 813 HA ILE 18 HA ILE 18 25.927 17.251 26.514 814 HB ILE 18 HB ILE 18 26.799 14.975 26.342 815 1HG1 ILE 18 HG12 ILE 18 29.020 16.307 24.778 816 2HG1 ILE 18 HG11 ILE 18 29.191 15.382 26.262 817 1HG2 ILE 18 HG21 ILE 18 26.851 16.182 23.551 818 2HG2 ILE 18 HG22 ILE 18 25.375 16.092 24.498 819 3HG2 ILE 18 HG23 ILE 18 26.214 14.614 24.052 820 1HD1 ILE 18 HD11 ILE 18 28.972 14.434 23.477 821 2HD1 ILE 18 HD12 ILE 18 27.968 13.534 24.609 822 3HD1 ILE 18 HD13 ILE 18 29.705 13.659 24.874 823 H GLU 19 HN GLU 19 29.449 17.607 26.510 824 HA GLU 19 HA GLU 19 29.794 16.797 29.241 825 1HB GLU 19 HB2 GLU 19 31.600 16.724 27.504 826 2HB GLU 19 HB1 GLU 19 31.645 18.487 27.539 827 1HG GLU 19 HG2 GLU 19 32.253 18.471 29.895 828 2HG GLU 19 HG1 GLU 19 32.091 16.718 29.955 829 H MET 20 HN MET 20 29.888 19.989 27.633 830 HA MET 20 HA MET 20 29.824 21.349 30.225 831 1HB MET 20 HB2 MET 20 31.065 22.033 27.941 832 2HB MET 20 HB1 MET 20 29.546 22.863 27.631 833 1HG MET 20 HG2 MET 20 30.893 24.480 28.749 834 2HG MET 20 HG1 MET 20 29.806 23.871 29.991 835 1HE MET 20 HE1 MET 20 33.335 22.017 28.610 836 2HE MET 20 HE2 MET 20 34.260 23.271 29.426 837 3HE MET 20 HE3 MET 20 33.048 23.721 28.234 838 H ASN 21 HN ASN 21 27.886 21.660 27.240 839 HA ASN 21 HA ASN 21 25.648 21.956 26.891 840 1HB ASN 21 HB2 ASN 21 25.525 20.054 28.656 841 2HB ASN 21 HB1 ASN 21 25.139 21.319 29.812 842 1HD2 ASN 21 HD21 ASN 21 23.273 19.258 29.159 843 2HD2 ASN 21 HD22 ASN 21 21.960 19.973 28.356 844 H GLN 22 HN GLN 22 27.294 24.116 27.453 845 HA GLN 22 HA GLN 22 26.450 25.850 29.408 846 1HB GLN 22 HB2 GLN 22 28.395 26.169 27.827 847 2HB GLN 22 HB1 GLN 22 27.233 26.677 26.604 848 1HG GLN 22 HG2 GLN 22 28.066 28.682 27.645 849 2HG GLN 22 HG1 GLN 22 26.426 28.449 28.243 850 1HE2 GLN 22 HE21 GLN 22 29.788 27.483 29.145 851 2HE2 GLN 22 HE22 GLN 22 29.549 27.687 30.814 852 H SER 23 HN SER 23 25.013 25.114 26.291 853 HA SER 23 HA SER 23 22.452 26.146 27.095 854 1HB SER 23 HB2 SER 23 23.483 28.272 26.498 855 2HB SER 23 HB1 SER 23 24.000 27.615 24.946 856 HG SER 23 HG SER 23 21.528 27.107 24.910 857 H GLU 24 HN GLU 24 22.622 23.696 26.520 858 HA GLU 24 HA GLU 24 21.299 23.381 23.958 859 1HB GLU 24 HB2 GLU 24 23.881 23.270 23.574 860 2HB GLU 24 HB1 GLU 24 23.794 21.703 24.369 861 1HG GLU 24 HG2 GLU 24 23.558 21.208 22.040 862 2HG GLU 24 HG1 GLU 24 21.911 21.134 22.664 863 H ASP 25 HN ASP 25 22.426 20.447 24.307 864 HA ASP 25 HA ASP 25 20.941 19.556 26.656 865 1HB ASP 25 HB2 ASP 25 20.132 18.689 23.865 866 2HB ASP 25 HB1 ASP 25 19.459 18.099 25.386 867 H LYS 26 HN LYS 26 20.828 16.980 26.376 868 HA LYS 26 HA LYS 26 23.622 16.187 26.287 869 1HB LYS 26 HB2 LYS 26 21.985 15.432 28.027 870 2HB LYS 26 HB1 LYS 26 21.188 14.470 26.790 871 1HG LYS 26 HG2 LYS 26 23.262 13.213 26.400 872 2HG LYS 26 HG1 LYS 26 24.121 14.232 27.551 873 1HD LYS 26 HD2 LYS 26 23.504 12.145 28.651 874 2HD LYS 26 HD1 LYS 26 22.573 13.465 29.348 875 1HE LYS 26 HE2 LYS 26 20.572 12.781 28.261 876 2HE LYS 26 HE1 LYS 26 21.443 11.792 27.089 877 1HZ LYS 26 HZ1 LYS 26 22.208 10.547 29.218 878 2HZ LYS 26 HZ2 LYS 26 20.683 10.228 28.543 879 3HZ LYS 26 HZ3 LYS 26 20.819 11.241 29.901 880 H ILE 27 HN ILE 27 21.478 13.716 25.247 881 HA ILE 27 HA ILE 27 22.960 13.201 22.921 882 HB ILE 27 HB ILE 27 20.215 12.297 23.819 883 1HG1 ILE 27 HG12 ILE 27 22.465 11.536 24.955 884 2HG1 ILE 27 HG11 ILE 27 21.273 10.313 24.555 885 1HG2 ILE 27 HG21 ILE 27 20.550 10.499 21.977 886 2HG2 ILE 27 HG22 ILE 27 21.728 11.617 21.293 887 3HG2 ILE 27 HG23 ILE 27 20.041 12.107 21.456 888 1HD1 ILE 27 HD11 ILE 27 23.777 9.900 23.922 889 2HD1 ILE 27 HD12 ILE 27 23.452 10.979 22.571 890 3HD1 ILE 27 HD13 ILE 27 22.527 9.495 22.749 891 H HIS 28 HN HIS 28 19.964 15.003 23.443 892 HA HIS 28 HA HIS 28 19.412 15.413 20.667 893 1HB HIS 28 HB2 HIS 28 18.503 17.011 23.071 894 2HB HIS 28 HB1 HIS 28 17.806 17.095 21.452 895 HD1 HIS 28 HD1 HIS 28 16.829 14.705 20.529 896 HD2 HIS 28 HD2 HIS 28 17.411 15.016 24.646 897 HE1 HIS 28 HE1 HIS 28 15.469 12.850 21.586 898 HE2 HIS 28 HE2 HIS 28 15.812 13.026 24.097 899 H ALA 29 HN ALA 29 22.146 16.163 21.865 900 HA ALA 29 HA ALA 29 22.415 18.996 21.575 901 1HB ALA 29 HB1 ALA 29 24.902 18.392 21.443 902 2HB ALA 29 HB2 ALA 29 24.399 16.711 21.632 903 3HB ALA 29 HB3 ALA 29 24.059 17.881 22.902 904 H MET 30 HN MET 30 23.247 16.229 19.472 905 HA MET 30 HA MET 30 24.273 17.692 17.332 906 1HB MET 30 HB2 MET 30 24.088 15.709 16.046 907 2HB MET 30 HB1 MET 30 24.267 15.129 17.697 908 1HG MET 30 HG2 MET 30 21.667 15.337 16.125 909 2HG MET 30 HG1 MET 30 22.496 13.879 16.618 910 1HE MET 30 HE1 MET 30 19.501 14.157 17.236 911 2HE MET 30 HE2 MET 30 19.454 13.605 18.909 912 3HE MET 30 HE3 MET 30 20.520 12.807 17.755 913 H ASN 31 HN ASN 31 20.934 16.890 18.170 914 HA ASN 31 HA ASN 31 19.625 17.516 15.819 915 1HB ASN 31 HB2 ASN 31 18.500 16.649 17.831 916 2HB ASN 31 HB1 ASN 31 18.755 18.195 18.638 917 1HD2 ASN 31 HD21 ASN 31 16.136 17.533 18.487 918 2HD2 ASN 31 HD22 ASN 31 15.341 18.383 17.251 919 H SER 32 HN SER 32 20.691 19.750 18.387 920 HA SER 32 HA SER 32 19.718 22.093 17.020 921 1HB SER 32 HB2 SER 32 19.933 22.328 19.365 922 2HB SER 32 HB1 SER 32 21.524 21.576 19.367 923 HG SER 32 HG SER 32 20.852 24.085 18.213 924 H TYR 33 HN TYR 33 23.016 20.844 17.651 925 HA TYR 33 HA TYR 33 24.399 22.713 16.083 926 1HB TYR 33 HB2 TYR 33 25.535 21.265 17.691 927 2HB TYR 33 HB1 TYR 33 25.104 19.839 16.751 928 HD1 TYR 33 HD1 TYR 33 27.092 22.970 16.743 929 HD2 TYR 33 HD2 TYR 33 26.336 19.241 14.753 930 HE1 TYR 33 HE1 TYR 33 29.106 23.315 15.338 931 HE2 TYR 33 HE2 TYR 33 28.346 19.590 13.339 932 HH TYR 33 HH TYR 33 30.089 22.610 13.330 933 H TYR 34 HN TYR 34 23.279 19.428 15.249 934 HA TYR 34 HA TYR 34 24.180 19.325 12.618 935 1HB TYR 34 HB2 TYR 34 23.143 17.421 13.930 936 2HB TYR 34 HB1 TYR 34 21.566 18.146 13.623 937 HD1 TYR 34 HD1 TYR 34 20.873 18.554 11.168 938 HD2 TYR 34 HD2 TYR 34 24.160 16.032 12.305 939 HE1 TYR 34 HE1 TYR 34 20.829 17.496 8.932 940 HE2 TYR 34 HE2 TYR 34 24.116 14.971 10.060 941 HH TYR 34 HH TYR 34 23.249 15.807 7.649 942 H ARG 35 HN ARG 35 21.103 20.566 13.921 943 HA ARG 35 HA ARG 35 19.965 21.257 11.447 944 1HB ARG 35 HB2 ARG 35 18.681 21.077 13.552 945 2HB ARG 35 HB1 ARG 35 19.459 22.553 14.123 946 1HG ARG 35 HG2 ARG 35 18.525 23.807 12.227 947 2HG ARG 35 HG1 ARG 35 17.810 22.329 11.586 948 1HD ARG 35 HD2 ARG 35 16.100 23.563 12.783 949 2HD ARG 35 HD1 ARG 35 16.496 22.110 13.697 950 HE ARG 35 HE ARG 35 17.416 23.446 15.374 951 1HH1 ARG 35 HH21 ARG 35 16.806 25.269 12.499 952 2HH1 ARG 35 HH22 ARG 35 17.106 26.804 13.243 953 1HH2 ARG 35 HH11 ARG 35 17.806 25.453 16.359 954 2HH2 ARG 35 HH12 ARG 35 17.672 26.908 15.430 955 H SER 36 HN SER 36 22.182 22.902 13.618 956 HA SER 36 HA SER 36 21.983 25.479 12.406 957 1HB SER 36 HB2 SER 36 22.902 25.151 14.678 958 2HB SER 36 HB1 SER 36 24.280 24.303 13.986 959 HG SER 36 HG SER 36 24.375 26.369 12.635 960 H VAL 37 HN VAL 37 24.236 22.756 11.983 961 HA VAL 37 HA VAL 37 25.853 24.091 10.022 962 HB VAL 37 HB VAL 37 25.407 21.145 10.461 963 1HG1 VAL 37 HG11 VAL 37 27.573 22.585 8.926 964 2HG1 VAL 37 HG12 VAL 37 26.370 21.470 8.270 965 3HG1 VAL 37 HG13 VAL 37 27.610 20.874 9.355 966 1HG2 VAL 37 HG21 VAL 37 26.293 22.179 12.474 967 2HG2 VAL 37 HG22 VAL 37 27.476 23.084 11.531 968 3HG2 VAL 37 HG23 VAL 37 27.620 21.335 11.676 969 H VAL 38 HN VAL 38 23.530 21.393 9.559 970 HA VAL 38 HA VAL 38 23.455 21.441 6.802 971 HB VAL 38 HB VAL 38 22.265 19.816 8.295 972 1HG1 VAL 38 HG11 VAL 38 20.157 20.340 9.253 973 2HG1 VAL 38 HG12 VAL 38 19.993 21.823 8.307 974 3HG1 VAL 38 HG13 VAL 38 21.169 21.739 9.613 975 1HG2 VAL 38 HG21 VAL 38 20.619 21.089 6.087 976 2HG2 VAL 38 HG22 VAL 38 20.387 19.463 6.728 977 3HG2 VAL 38 HG23 VAL 38 21.870 19.867 5.868 978 H SER 39 HN SER 39 21.533 23.448 9.024 979 HA SER 39 HA SER 39 19.967 24.779 7.111 980 1HB SER 39 HB2 SER 39 19.795 26.592 8.833 981 2HB SER 39 HB1 SER 39 19.461 24.983 9.460 982 HG SER 39 HG SER 39 21.158 26.641 10.432 983 H THR 40 HN THR 40 22.972 25.973 8.652 984 HA THR 40 HA THR 40 23.237 28.159 6.808 985 HB THR 40 HB THR 40 25.340 27.012 8.656 986 HG1 THR 40 HG1 THR 40 23.457 29.080 9.121 987 1HG2 THR 40 HG21 THR 40 26.168 29.370 8.599 988 2HG2 THR 40 HG22 THR 40 24.959 29.730 7.367 989 3HG2 THR 40 HG23 THR 40 26.248 28.575 7.027 990 H LEU 41 HN LEU 41 24.801 25.030 7.195 991 HA LEU 41 HA LEU 41 26.784 25.230 5.276 992 1HB LEU 41 HB2 LEU 41 26.661 23.324 6.816 993 2HB LEU 41 HB1 LEU 41 25.158 22.805 6.076 994 HG LEU 41 HG LEU 41 26.255 22.318 4.015 995 1HD1 LEU 41 HD11 LEU 41 27.979 23.917 3.755 996 2HD1 LEU 41 HD12 LEU 41 28.859 22.427 4.030 997 3HD1 LEU 41 HD13 LEU 41 28.657 23.574 5.347 998 1HD2 LEU 41 HD21 LEU 41 26.250 20.622 5.836 999 2HD2 LEU 41 HD22 LEU 41 27.890 21.135 6.248 1000 3HD2 LEU 41 HD23 LEU 41 27.555 20.424 4.670 1001 H VAL 42 HN VAL 42 23.375 24.314 4.889 1002 HA VAL 42 HA VAL 42 23.644 23.870 2.035 1003 HB VAL 42 HB VAL 42 21.209 24.023 3.839 1004 1HG1 VAL 42 HG11 VAL 42 21.494 23.397 0.885 1005 2HG1 VAL 42 HG12 VAL 42 20.450 24.601 1.639 1006 3HG1 VAL 42 HG13 VAL 42 20.092 22.885 1.829 1007 1HG2 VAL 42 HG21 VAL 42 21.221 21.613 3.702 1008 2HG2 VAL 42 HG22 VAL 42 22.864 22.092 4.127 1009 3HG2 VAL 42 HG23 VAL 42 22.484 21.626 2.469 1010 H GLN 43 HN GLN 43 23.199 26.552 4.096 1011 HA GLN 43 HA GLN 43 21.785 28.197 2.157 1012 1HB GLN 43 HB2 GLN 43 21.560 28.436 4.678 1013 2HB GLN 43 HB1 GLN 43 23.188 29.107 4.682 1014 1HG GLN 43 HG2 GLN 43 22.494 30.911 3.206 1015 2HG GLN 43 HG1 GLN 43 20.885 30.211 3.055 1016 1HE2 GLN 43 HE21 GLN 43 20.638 32.670 3.930 1017 2HE2 GLN 43 HE22 GLN 43 20.458 32.780 5.614 1018 H ASP 44 HN ASP 44 25.027 27.315 2.817 1019 HA ASP 44 HA ASP 44 26.096 29.665 1.359 1020 1HB ASP 44 HB2 ASP 44 27.004 28.911 3.680 1021 2HB ASP 44 HB1 ASP 44 27.762 27.583 2.807 1022 H GLN 45 HN GLN 45 28.530 28.195 0.727 1023 HA GLN 45 HA GLN 45 29.277 27.396 -1.343 1024 1HB GLN 45 HB2 GLN 45 29.355 25.533 0.284 1025 2HB GLN 45 HB1 GLN 45 27.738 25.043 -0.203 1026 1HG GLN 45 HG2 GLN 45 29.322 23.672 -1.375 1027 2HG GLN 45 HG1 GLN 45 28.613 24.761 -2.551 1028 1HE2 GLN 45 HE21 GLN 45 30.250 25.486 -3.960 1029 2HE2 GLN 45 HE22 GLN 45 31.822 25.904 -3.474 1030 H LEU 46 HN LEU 46 26.563 25.230 -1.484 1031 HA LEU 46 HA LEU 46 24.970 24.860 -3.078 1032 1HB LEU 46 HB2 LEU 46 24.910 27.850 -2.683 1033 2HB LEU 46 HB1 LEU 46 23.865 27.133 -3.901 1034 HG LEU 46 HG LEU 46 23.866 25.966 -1.100 1035 1HD1 LEU 46 HD11 LEU 46 21.953 27.559 -0.584 1036 2HD1 LEU 46 HD12 LEU 46 22.446 28.492 -1.994 1037 3HD1 LEU 46 HD13 LEU 46 23.549 28.306 -0.633 1038 1HD2 LEU 46 HD21 LEU 46 22.613 24.840 -2.942 1039 2HD2 LEU 46 HD22 LEU 46 21.705 26.326 -3.212 1040 3HD2 LEU 46 HD23 LEU 46 21.527 25.449 -1.694 1041 H THR 47 HN THR 47 26.766 24.055 -4.407 1042 HA THR 47 HA THR 47 26.954 25.577 -6.932 1043 HB THR 47 HB THR 47 29.040 25.887 -5.566 1044 HG1 THR 47 HG1 THR 47 30.036 24.410 -7.585 1045 1HG2 THR 47 HG21 THR 47 28.906 23.526 -4.579 1046 2HG2 THR 47 HG22 THR 47 30.498 24.034 -5.145 1047 3HG2 THR 47 HG23 THR 47 29.515 22.957 -6.131 1048 H LYS 48 HN LYS 48 26.781 22.572 -5.222 1049 HA LYS 48 HA LYS 48 25.806 21.212 -7.542 1050 1HB LYS 48 HB2 LYS 48 28.348 21.200 -7.833 1051 2HB LYS 48 HB1 LYS 48 28.408 20.190 -6.398 1052 1HG LYS 48 HG2 LYS 48 28.338 18.546 -8.067 1053 2HG LYS 48 HG1 LYS 48 26.624 18.708 -7.693 1054 1HD LYS 48 HD2 LYS 48 26.445 20.369 -9.587 1055 2HD LYS 48 HD1 LYS 48 28.123 20.016 -9.984 1056 1HE LYS 48 HE2 LYS 48 27.576 17.679 -10.375 1057 2HE LYS 48 HE1 LYS 48 25.908 17.960 -9.867 1058 1HZ LYS 48 HZ1 LYS 48 25.457 19.216 -11.730 1059 2HZ LYS 48 HZ2 LYS 48 26.473 18.010 -12.362 1060 3HZ LYS 48 HZ3 LYS 48 27.089 19.560 -12.037 1061 H ASN 49 HN ASN 49 24.377 19.745 -6.887 1062 HA ASN 49 HA ASN 49 23.636 19.300 -4.272 1063 1HB ASN 49 HB2 ASN 49 23.392 17.307 -6.532 1064 2HB ASN 49 HB1 ASN 49 22.408 17.364 -5.069 1065 1HD2 ASN 49 HD21 ASN 49 22.505 20.456 -5.268 1066 2HD2 ASN 49 HD22 ASN 49 21.344 20.813 -6.453 1067 H ALA 50 HN ALA 50 26.097 17.651 -6.176 1068 HA ALA 50 HA ALA 50 26.535 15.516 -4.312 1069 1HB ALA 50 HB1 ALA 50 28.365 16.626 -6.446 1070 2HB ALA 50 HB2 ALA 50 27.198 15.324 -6.666 1071 3HB ALA 50 HB3 ALA 50 28.585 15.095 -5.599 1072 H VAL 51 HN VAL 51 28.305 18.525 -5.007 1073 HA VAL 51 HA VAL 51 30.358 18.284 -3.155 1074 HB VAL 51 HB VAL 51 28.854 20.709 -4.148 1075 1HG1 VAL 51 HG11 VAL 51 30.841 22.034 -3.221 1076 2HG1 VAL 51 HG12 VAL 51 31.210 20.609 -2.246 1077 3HG1 VAL 51 HG13 VAL 51 29.681 21.455 -2.028 1078 1HG2 VAL 51 HG21 VAL 51 30.724 21.001 -5.607 1079 2HG2 VAL 51 HG22 VAL 51 30.434 19.264 -5.636 1080 3HG2 VAL 51 HG23 VAL 51 31.742 19.922 -4.658 1081 H VAL 52 HN VAL 52 27.081 19.551 -2.613 1082 HA VAL 52 HA VAL 52 27.562 20.060 0.172 1083 HB VAL 52 HB VAL 52 25.088 20.419 0.291 1084 1HG1 VAL 52 HG11 VAL 52 26.533 22.267 -0.419 1085 2HG1 VAL 52 HG12 VAL 52 25.036 22.301 -1.349 1086 3HG1 VAL 52 HG13 VAL 52 26.515 21.678 -2.081 1087 1HG2 VAL 52 HG21 VAL 52 23.832 20.277 -1.866 1088 2HG2 VAL 52 HG22 VAL 52 24.394 18.698 -1.314 1089 3HG2 VAL 52 HG23 VAL 52 25.250 19.545 -2.593 1090 H LEU 53 HN LEU 53 26.212 17.399 -1.681 1091 HA LEU 53 HA LEU 53 25.109 15.965 0.479 1092 1HB LEU 53 HB2 LEU 53 24.637 15.429 -1.901 1093 2HB LEU 53 HB1 LEU 53 26.294 14.865 -2.080 1094 HG LEU 53 HG LEU 53 25.882 13.105 -0.391 1095 1HD1 LEU 53 HD11 LEU 53 24.223 13.862 1.076 1096 2HD1 LEU 53 HD12 LEU 53 23.295 12.748 0.082 1097 3HD1 LEU 53 HD13 LEU 53 23.196 14.485 -0.216 1098 1HD2 LEU 53 HD21 LEU 53 23.879 13.224 -2.662 1099 2HD2 LEU 53 HD22 LEU 53 24.327 11.761 -1.785 1100 3HD2 LEU 53 HD23 LEU 53 25.530 12.610 -2.756 1101 H LYS 54 HN LYS 54 28.355 15.998 -0.923 1102 HA LYS 54 HA LYS 54 29.448 13.815 0.451 1103 1HB LYS 54 HB2 LYS 54 30.666 16.399 -0.558 1104 2HB LYS 54 HB1 LYS 54 31.635 15.081 0.104 1105 1HG LYS 54 HG2 LYS 54 30.901 13.562 -1.610 1106 2HG LYS 54 HG1 LYS 54 29.693 14.699 -2.195 1107 1HD LYS 54 HD2 LYS 54 31.461 16.270 -2.835 1108 2HD LYS 54 HD1 LYS 54 32.688 15.148 -2.246 1109 1HE LYS 54 HE2 LYS 54 31.930 13.457 -3.879 1110 2HE LYS 54 HE1 LYS 54 30.707 14.579 -4.472 1111 1HZ LYS 54 HZ1 LYS 54 32.371 15.014 -5.933 1112 2HZ LYS 54 HZ2 LYS 54 33.607 14.620 -4.837 1113 3HZ LYS 54 HZ3 LYS 54 32.809 16.116 -4.720 1114 H ARG 55 HN ARG 55 29.184 17.234 1.374 1115 HA ARG 55 HA ARG 55 30.581 16.964 3.838 1116 1HB ARG 55 HB2 ARG 55 28.576 19.035 2.907 1117 2HB ARG 55 HB1 ARG 55 29.562 19.168 4.364 1118 1HG ARG 55 HG2 ARG 55 31.613 18.981 2.965 1119 2HG ARG 55 HG1 ARG 55 30.601 18.939 1.522 1120 1HD ARG 55 HD2 ARG 55 29.652 21.152 2.167 1121 2HD ARG 55 HD1 ARG 55 30.769 21.197 3.532 1122 HE ARG 55 HE ARG 55 31.425 21.639 0.734 1123 1HH1 ARG 55 HH21 ARG 55 32.546 20.807 3.899 1124 2HH1 ARG 55 HH22 ARG 55 34.182 21.288 3.596 1125 1HH2 ARG 55 HH11 ARG 55 33.567 22.267 0.326 1126 2HH2 ARG 55 HH12 ARG 55 34.761 22.114 1.573 1127 H ILE 56 HN ILE 56 27.162 16.826 2.927 1128 HA ILE 56 HA ILE 56 26.101 16.688 5.535 1129 HB ILE 56 HB ILE 56 25.076 15.598 2.901 1130 1HG1 ILE 56 HG12 ILE 56 25.399 18.174 3.342 1131 2HG1 ILE 56 HG11 ILE 56 23.879 17.621 2.656 1132 1HG2 ILE 56 HG21 ILE 56 23.894 14.324 4.525 1133 2HG2 ILE 56 HG22 ILE 56 22.806 15.660 4.155 1134 3HG2 ILE 56 HG23 ILE 56 23.766 15.690 5.634 1135 1HD1 ILE 56 HD11 ILE 56 24.174 17.930 5.645 1136 2HD1 ILE 56 HD12 ILE 56 22.712 17.946 4.664 1137 3HD1 ILE 56 HD13 ILE 56 23.820 19.316 4.619 1138 H GLN 57 HN GLN 57 26.887 14.072 3.243 1139 HA GLN 57 HA GLN 57 26.202 11.906 4.849 1140 1HB GLN 57 HB2 GLN 57 28.401 12.186 2.782 1141 2HB GLN 57 HB1 GLN 57 27.927 10.645 3.499 1142 1HG GLN 57 HG2 GLN 57 25.638 10.943 2.668 1143 2HG GLN 57 HG1 GLN 57 26.072 12.505 1.987 1144 1HE2 GLN 57 HE21 GLN 57 25.678 9.295 1.144 1145 2HE2 GLN 57 HE22 GLN 57 26.689 9.250 -0.217 1146 H HIS 58 HN HIS 58 29.175 13.815 4.765 1147 HA HIS 58 HA HIS 58 30.645 12.197 6.574 1148 1HB HIS 58 HB2 HIS 58 30.922 15.131 5.871 1149 2HB HIS 58 HB1 HIS 58 32.103 14.197 6.789 1150 HD1 HIS 58 HD1 HIS 58 32.272 15.495 3.744 1151 HD2 HIS 58 HD2 HIS 58 32.057 11.473 4.824 1152 HE1 HIS 58 HE1 HIS 58 33.206 14.176 1.794 1153 HE2 HIS 58 HE2 HIS 58 33.078 11.723 2.437 1154 H LEU 59 HN LEU 59 28.403 14.882 6.967 1155 HA LEU 59 HA LEU 59 28.963 15.448 9.661 1156 1HB LEU 59 HB2 LEU 59 27.379 16.610 7.831 1157 2HB LEU 59 HB1 LEU 59 26.129 15.695 8.662 1158 HG LEU 59 HG LEU 59 28.026 17.729 9.882 1159 1HD1 LEU 59 HD11 LEU 59 25.034 17.665 9.451 1160 2HD1 LEU 59 HD12 LEU 59 26.194 18.776 8.721 1161 3HD1 LEU 59 HD13 LEU 59 25.858 18.852 10.451 1162 1HD2 LEU 59 HD21 LEU 59 27.793 16.172 11.608 1163 2HD2 LEU 59 HD22 LEU 59 26.155 15.734 11.161 1164 3HD2 LEU 59 HD23 LEU 59 26.475 17.277 11.957 1165 H ASP 60 HN ASP 60 26.860 13.043 8.166 1166 HA ASP 60 HA ASP 60 25.434 12.182 10.406 1167 1HB ASP 60 HB2 ASP 60 25.087 11.465 8.002 1168 2HB ASP 60 HB1 ASP 60 26.464 10.385 8.194 1169 H GLU 61 HN GLU 61 28.730 11.503 9.403 1170 HA GLU 61 HA GLU 61 29.264 9.292 11.053 1171 1HB GLU 61 HB2 GLU 61 31.478 9.553 10.372 1172 2HB GLU 61 HB1 GLU 61 30.710 10.595 9.179 1173 1HG GLU 61 HG2 GLU 61 31.131 12.541 10.802 1174 2HG GLU 61 HG1 GLU 61 32.116 11.431 11.738 1175 H ALA 62 HN ALA 62 29.208 12.736 11.726 1176 HA ALA 62 HA ALA 62 30.404 12.514 14.320 1177 1HB ALA 62 HB1 ALA 62 30.622 14.607 13.163 1178 2HB ALA 62 HB2 ALA 62 29.580 14.894 14.557 1179 3HB ALA 62 HB3 ALA 62 28.883 14.716 12.958 1180 H TYR 63 HN TYR 63 27.086 13.049 13.153 1181 HA TYR 63 HA TYR 63 25.796 13.241 15.576 1182 1HB TYR 63 HB2 TYR 63 24.070 13.458 14.089 1183 2HB TYR 63 HB1 TYR 63 25.046 12.734 12.814 1184 HD1 TYR 63 HD1 TYR 63 22.987 11.835 15.812 1185 HD2 TYR 63 HD2 TYR 63 24.470 10.572 11.994 1186 HE1 TYR 63 HE1 TYR 63 21.592 9.799 15.956 1187 HE2 TYR 63 HE2 TYR 63 23.079 8.524 12.133 1188 HH TYR 63 HH TYR 63 21.701 7.442 14.956 1189 H ASN 64 HN ASN 64 26.503 10.304 13.681 1190 HA ASN 64 HA ASN 64 25.382 8.430 15.469 1191 1HB ASN 64 HB2 ASN 64 25.916 7.905 13.125 1192 2HB ASN 64 HB1 ASN 64 27.636 8.051 13.484 1193 1HD2 ASN 64 HD21 ASN 64 28.305 5.864 13.297 1194 2HD2 ASN 64 HD22 ASN 64 27.648 4.601 14.222 1195 H LYS 65 HN LYS 65 28.495 10.000 15.321 1196 HA LYS 65 HA LYS 65 29.905 8.294 17.041 1197 1HB LYS 65 HB2 LYS 65 30.774 10.284 15.603 1198 2HB LYS 65 HB1 LYS 65 30.322 11.296 16.969 1199 1HG LYS 65 HG2 LYS 65 32.539 10.815 17.551 1200 2HG LYS 65 HG1 LYS 65 31.725 9.487 18.366 1201 1HD LYS 65 HD2 LYS 65 32.156 8.057 16.344 1202 2HD LYS 65 HD1 LYS 65 33.065 9.396 15.643 1203 1HE LYS 65 HE2 LYS 65 33.700 8.132 18.321 1204 2HE LYS 65 HE1 LYS 65 34.515 7.721 16.812 1205 1HZ LYS 65 HZ1 LYS 65 34.622 10.207 18.368 1206 2HZ LYS 65 HZ2 LYS 65 34.827 10.290 16.684 1207 3HZ LYS 65 HZ3 LYS 65 35.880 9.346 17.625 1208 H VAL 66 HN VAL 66 27.701 10.976 17.677 1209 HA VAL 66 HA VAL 66 28.232 11.238 20.424 1210 HB VAL 66 HB VAL 66 25.705 11.946 18.926 1211 1HG1 VAL 66 HG11 VAL 66 25.444 13.548 20.850 1212 2HG1 VAL 66 HG12 VAL 66 26.762 12.704 21.667 1213 3HG1 VAL 66 HG13 VAL 66 25.261 11.855 21.300 1214 1HG2 VAL 66 HG21 VAL 66 26.744 14.229 19.013 1215 2HG2 VAL 66 HG22 VAL 66 27.628 13.095 17.994 1216 3HG2 VAL 66 HG23 VAL 66 28.232 13.490 19.604 1217 H LYS 67 HN LYS 67 26.014 9.289 18.624 1218 HA LYS 67 HA LYS 67 24.581 8.208 20.833 1219 1HB LYS 67 HB2 LYS 67 24.830 6.830 18.169 1220 2HB LYS 67 HB1 LYS 67 23.429 7.024 19.209 1221 1HG LYS 67 HG2 LYS 67 24.748 9.185 17.603 1222 2HG LYS 67 HG1 LYS 67 23.272 8.447 17.255 1223 1HD LYS 67 HD2 LYS 67 23.775 10.095 19.729 1224 2HD LYS 67 HD1 LYS 67 22.985 10.680 18.274 1225 1HE LYS 67 HE2 LYS 67 21.406 8.503 18.703 1226 2HE LYS 67 HE1 LYS 67 21.889 8.842 20.366 1227 1HZ LYS 67 HZ1 LYS 67 20.260 10.411 18.537 1228 2HZ LYS 67 HZ2 LYS 67 21.307 11.284 19.549 1229 3HZ LYS 67 HZ3 LYS 67 20.149 10.238 20.220 1230 H ARG 68 HN ARG 68 27.427 7.366 19.068 1231 HA ARG 68 HA ARG 68 27.655 4.666 19.673 1232 1HB ARG 68 HB2 ARG 68 29.108 6.096 18.114 1233 2HB ARG 68 HB1 ARG 68 29.998 6.577 19.559 1234 1HG ARG 68 HG2 ARG 68 30.661 4.299 20.005 1235 2HG ARG 68 HG1 ARG 68 29.583 3.685 18.755 1236 1HD ARG 68 HD2 ARG 68 30.898 4.829 17.037 1237 2HD ARG 68 HD1 ARG 68 31.963 5.492 18.274 1238 HE ARG 68 HE ARG 68 33.019 3.414 18.426 1239 1HH1 ARG 68 HH21 ARG 68 30.009 3.174 16.736 1240 2HH1 ARG 68 HH22 ARG 68 30.257 1.532 16.244 1241 1HH2 ARG 68 HH11 ARG 68 33.354 1.262 17.782 1242 2HH2 ARG 68 HH12 ARG 68 32.151 0.450 16.837 1243 H GLY 69 HN GLY 69 27.276 7.040 21.864 1244 1HA GLY 69 HA2 GLY 69 27.175 6.631 24.175 1245 2HA GLY 69 HA1 GLY 69 28.423 5.403 24.024 1246 H GLU 70 HN GLU 70 28.910 8.339 22.336 1247 HA GLU 70 HA GLU 70 31.336 8.956 23.583 1248 1HB GLU 70 HB2 GLU 70 31.377 10.119 21.620 1249 2HB GLU 70 HB1 GLU 70 29.647 9.934 21.463 1250 1HG GLU 70 HG2 GLU 70 30.162 12.272 21.423 1251 2HG GLU 70 HG1 GLU 70 29.339 11.917 22.928 1252 H SER 71 HN SER 71 28.072 9.728 24.380 1253 HA SER 71 HA SER 71 28.730 11.913 26.158 1254 1HB SER 71 HB2 SER 71 26.569 11.637 24.810 1255 2HB SER 71 HB1 SER 71 26.109 10.428 25.999 1256 HG SER 71 HG SER 71 26.376 12.019 27.607 1257 H LYS 72 HN LYS 72 28.697 8.538 26.311 1258 HA LYS 72 HA LYS 72 28.978 8.635 29.245 1259 1HB LYS 72 HB2 LYS 72 26.647 7.785 28.293 1260 2HB LYS 72 HB1 LYS 72 27.541 6.310 27.934 1261 1HG LYS 72 HG2 LYS 72 28.210 6.114 30.283 1262 2HG LYS 72 HG1 LYS 72 27.412 7.641 30.657 1263 1HD LYS 72 HD2 LYS 72 25.248 6.669 29.946 1264 2HD LYS 72 HD1 LYS 72 26.056 5.127 29.659 1265 1HE LYS 72 HE2 LYS 72 26.066 6.564 32.330 1266 2HE LYS 72 HE1 LYS 72 24.947 5.267 31.910 1267 1HZ LYS 72 HZ1 LYS 72 26.508 3.841 32.521 1268 2HZ LYS 72 HZ2 LYS 72 27.638 5.088 32.759 1269 3HZ LYS 72 HZ3 LYS 72 27.470 4.370 31.227 1270 H LEU 73 HN LEU 73 30.823 8.427 26.879 1271 HA LEU 73 HA LEU 73 31.824 5.813 26.711 1272 1HB LEU 73 HB2 LEU 73 32.453 7.551 25.102 1273 2HB LEU 73 HB1 LEU 73 33.285 8.439 26.370 1274 HG LEU 73 HG LEU 73 34.875 6.562 26.645 1275 1HD1 LEU 73 HD11 LEU 73 33.074 5.264 24.586 1276 2HD1 LEU 73 HD12 LEU 73 33.736 4.587 26.074 1277 3HD1 LEU 73 HD13 LEU 73 34.779 4.812 24.677 1278 1HD2 LEU 73 HD21 LEU 73 34.537 7.533 23.795 1279 2HD2 LEU 73 HD22 LEU 73 36.002 6.799 24.446 1280 3HD2 LEU 73 HD23 LEU 73 35.436 8.344 25.080 1281 H GLU 74 HN GLU 74 33.440 8.518 28.304 1282 HA GLU 74 HA GLU 74 34.695 8.671 30.194 1283 1HB GLU 74 HB2 GLU 74 33.290 6.171 31.136 1284 2HB GLU 74 HB1 GLU 74 34.036 7.419 32.124 1285 1HG GLU 74 HG2 GLU 74 32.371 9.063 31.208 1286 2HG GLU 74 HG1 GLU 74 31.588 7.734 30.363 1287 H HIS 75 HN HIS 75 34.334 5.215 29.456 1288 HA HIS 75 HA HIS 75 35.857 3.531 29.165 1289 1HB HIS 75 HB2 HIS 75 36.575 5.008 27.290 1290 2HB HIS 75 HB1 HIS 75 37.735 5.775 28.367 1291 HD1 HIS 75 HD1 HIS 75 36.870 2.228 27.250 1292 HD2 HIS 75 HD2 HIS 75 40.186 4.519 28.315 1293 HE1 HIS 75 HE1 HIS 75 38.898 0.744 26.934 1294 HE2 HIS 75 HE2 HIS 75 40.928 2.126 27.580 1295 H HIS 76 HN HIS 76 38.142 6.061 30.150 1296 HA HIS 76 HA HIS 76 38.389 5.035 32.842 1297 1HB HIS 76 HB2 HIS 76 39.701 3.374 31.536 1298 2HB HIS 76 HB1 HIS 76 40.711 4.686 30.930 1299 HD1 HIS 76 HD1 HIS 76 39.618 3.252 34.295 1300 HD2 HIS 76 HD2 HIS 76 42.849 5.258 32.588 1301 HE1 HIS 76 HE1 HIS 76 41.397 3.403 36.091 1302 HE2 HIS 76 HE2 HIS 76 43.374 4.623 35.065 1303 H HIS 77 HN HIS 77 39.084 6.596 34.162 1304 HA HIS 77 HA HIS 77 40.897 8.680 33.307 1305 1HB HIS 77 HB2 HIS 77 38.738 9.484 32.378 1306 2HB HIS 77 HB1 HIS 77 38.043 9.430 33.998 1307 HD1 HIS 77 HD1 HIS 77 38.468 11.408 35.497 1308 HD2 HIS 77 HD2 HIS 77 40.967 11.409 32.160 1309 HE1 HIS 77 HE1 HIS 77 39.716 13.611 35.538 1310 HE2 HIS 77 HE2 HIS 77 41.245 13.627 33.511 1311 H HIS 78 HN HIS 78 41.909 9.615 35.008 1312 HA HIS 78 HA HIS 78 41.575 8.416 37.603 1313 1HB HIS 78 HB2 HIS 78 43.298 10.741 36.708 1314 2HB HIS 78 HB1 HIS 78 43.417 9.916 38.261 1315 HD1 HIS 78 HD1 HIS 78 43.734 7.146 37.940 1316 HD2 HIS 78 HD2 HIS 78 44.963 9.623 34.821 1317 HE1 HIS 78 HE1 HIS 78 45.325 5.776 36.522 1318 HE2 HIS 78 HE2 HIS 78 46.083 7.273 34.616 1319 H HIS 79 HN HIS 79 40.814 9.341 39.480 1320 HA HIS 79 HA HIS 79 38.707 11.222 39.250 1321 1HB HIS 79 HB2 HIS 79 38.829 9.499 41.029 1322 2HB HIS 79 HB1 HIS 79 40.197 10.355 41.740 1323 HD1 HIS 79 HD1 HIS 79 39.700 12.833 42.620 1324 HD2 HIS 79 HD2 HIS 79 36.327 10.566 41.689 1325 HE1 HIS 79 HE1 HIS 79 37.728 14.013 43.685 1326 HE2 HIS 79 HE2 HIS 79 35.664 12.643 43.126 1327 H HIS 80 HN HIS 80 42.043 11.497 40.435 1328 HA HIS 80 HA HIS 80 41.833 14.240 41.200 1329 1HB HIS 80 HB2 HIS 80 44.294 14.158 41.311 1330 2HB HIS 80 HB1 HIS 80 43.566 12.771 42.121 1331 HD1 HIS 80 HD1 HIS 80 44.587 13.496 38.504 1332 HD2 HIS 80 HD2 HIS 80 44.928 10.498 41.381 1333 HE1 HIS 80 HE1 HIS 80 45.866 11.599 37.415 1334 HE2 HIS 80 HE2 HIS 80 46.083 9.765 39.158 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -5.935 1.593 -5.036 2 2H MET 1 HT2 MET 1 -4.936 2.965 -5.029 3 3H MET 1 HT3 MET 1 -6.118 2.767 -3.826 4 HA MET 1 HA MET 1 -4.939 0.746 -3.059 5 1HB MET 1 HB2 MET 1 -2.929 1.766 -5.090 6 2HB MET 1 HB1 MET 1 -2.551 0.569 -3.851 7 1HG MET 1 HG2 MET 1 -4.348 -0.893 -4.740 8 2HG MET 1 HG1 MET 1 -4.664 0.292 -6.006 9 1HE MET 1 HE1 MET 1 -4.300 -1.187 -8.000 10 2HE MET 1 HE2 MET 1 -4.228 -2.518 -6.848 11 3HE MET 1 HE3 MET 1 -3.023 -2.404 -8.127 12 H SER 2 HN SER 2 -2.924 3.536 -4.040 13 HA SER 2 HA SER 2 -3.141 4.789 -1.439 14 1HB SER 2 HB2 SER 2 -0.695 4.643 -0.966 15 2HB SER 2 HB1 SER 2 -1.511 3.085 -0.869 16 HG SER 2 HG SER 2 -0.266 2.426 -2.415 17 H GLU 3 HN GLU 3 -1.825 6.782 -1.328 18 HA GLU 3 HA GLU 3 -1.357 7.967 -4.032 19 1HB GLU 3 HB2 GLU 3 -2.440 9.243 -1.512 20 2HB GLU 3 HB1 GLU 3 -2.016 10.130 -2.976 21 1HG GLU 3 HG2 GLU 3 -3.660 8.821 -4.261 22 2HG GLU 3 HG1 GLU 3 -4.073 7.901 -2.815 23 H LEU 4 HN LEU 4 0.744 6.689 -3.018 24 HA LEU 4 HA LEU 4 2.400 8.225 -1.291 25 1HB LEU 4 HB2 LEU 4 3.079 6.132 -3.357 26 2HB LEU 4 HB1 LEU 4 4.189 6.726 -2.121 27 HG LEU 4 HG LEU 4 1.522 5.408 -1.516 28 1HD1 LEU 4 HD11 LEU 4 3.041 3.821 -2.630 29 2HD1 LEU 4 HD12 LEU 4 2.821 3.399 -0.933 30 3HD1 LEU 4 HD13 LEU 4 4.304 4.197 -1.457 31 1HD2 LEU 4 HD21 LEU 4 3.863 6.267 0.214 32 2HD2 LEU 4 HD22 LEU 4 2.692 5.067 0.768 33 3HD2 LEU 4 HD23 LEU 4 2.165 6.695 0.386 34 H PHE 5 HN PHE 5 1.584 8.466 -4.618 35 HA PHE 5 HA PHE 5 3.899 9.704 -5.625 36 1HB PHE 5 HB2 PHE 5 0.996 10.047 -6.418 37 2HB PHE 5 HB1 PHE 5 2.368 10.637 -7.356 38 HD1 PHE 5 HD2 PHE 5 3.972 9.056 -8.390 39 HD2 PHE 5 HD1 PHE 5 0.467 7.674 -6.327 40 HE1 PHE 5 HE2 PHE 5 4.250 6.816 -9.418 41 HE2 PHE 5 HE1 PHE 5 0.745 5.434 -7.355 42 HZ PHE 5 HZ PHE 5 2.638 5.006 -8.900 43 H SER 6 HN SER 6 0.983 11.034 -4.099 44 HA SER 6 HA SER 6 1.825 13.758 -4.343 45 1HB SER 6 HB2 SER 6 -0.254 14.253 -3.451 46 2HB SER 6 HB1 SER 6 -0.569 12.581 -3.875 47 HG SER 6 HG SER 6 0.320 13.546 -1.349 48 H VAL 7 HN VAL 7 2.989 14.998 -2.973 49 HA VAL 7 HA VAL 7 4.577 13.752 -0.957 50 HB VAL 7 HB VAL 7 4.252 16.746 -1.070 51 1HG1 VAL 7 HG11 VAL 7 6.622 16.753 -0.639 52 2HG1 VAL 7 HG12 VAL 7 6.718 15.006 -0.880 53 3HG1 VAL 7 HG13 VAL 7 5.835 15.662 0.499 54 1HG2 VAL 7 HG21 VAL 7 5.893 16.759 -3.013 55 2HG2 VAL 7 HG22 VAL 7 4.256 16.250 -3.419 56 3HG2 VAL 7 HG23 VAL 7 5.527 15.044 -3.232 57 HA PRO 8 HA PRO 8 1.507 16.387 1.894 58 1HB PRO 8 HB2 PRO 8 -0.945 15.542 0.346 59 2HB PRO 8 HB1 PRO 8 -0.658 17.043 1.254 60 1HG PRO 8 HG2 PRO 8 -0.554 17.063 -1.386 61 2HG PRO 8 HG1 PRO 8 0.664 17.956 -0.446 62 1HD PRO 8 HD2 PRO 8 0.935 15.300 -1.818 63 2HD PRO 8 HD1 PRO 8 2.107 16.619 -1.739 64 H TYR 9 HN TYR 9 0.985 13.320 0.268 65 HA TYR 9 HA TYR 9 -0.546 12.023 2.244 66 1HB TYR 9 HB2 TYR 9 -0.203 11.153 -0.052 67 2HB TYR 9 HB1 TYR 9 1.477 10.799 0.349 68 HD1 TYR 9 HD1 TYR 9 -2.053 9.990 1.163 69 HD2 TYR 9 HD2 TYR 9 2.060 8.872 1.693 70 HE1 TYR 9 HE1 TYR 9 -2.768 7.835 2.161 71 HE2 TYR 9 HE2 TYR 9 1.347 6.717 2.690 72 HH TYR 9 HH TYR 9 -0.367 5.443 3.284 73 H PHE 10 HN PHE 10 2.958 12.339 1.801 74 HA PHE 10 HA PHE 10 3.785 10.609 3.856 75 1HB PHE 10 HB2 PHE 10 5.007 12.908 2.378 76 2HB PHE 10 HB1 PHE 10 5.785 12.459 3.890 77 HD1 PHE 10 HD2 PHE 10 4.049 10.265 1.401 78 HD2 PHE 10 HD1 PHE 10 7.793 11.372 3.188 79 HE1 PHE 10 HE2 PHE 10 5.159 8.357 0.270 80 HE2 PHE 10 HE1 PHE 10 8.902 9.478 2.057 81 HZ PHE 10 HZ PHE 10 7.591 7.964 0.603 82 H ILE 11 HN ILE 11 2.810 14.010 3.946 83 HA ILE 11 HA ILE 11 3.525 14.417 6.660 84 HB ILE 11 HB ILE 11 1.454 15.887 5.045 85 1HG1 ILE 11 HG12 ILE 11 4.438 16.432 5.366 86 2HG1 ILE 11 HG11 ILE 11 3.700 15.748 3.920 87 1HG2 ILE 11 HG21 ILE 11 2.231 16.119 7.816 88 2HG2 ILE 11 HG22 ILE 11 1.220 17.229 6.906 89 3HG2 ILE 11 HG23 ILE 11 2.963 17.487 6.988 90 1HD1 ILE 11 HD11 ILE 11 2.226 17.805 3.823 91 2HD1 ILE 11 HD12 ILE 11 3.941 18.101 3.530 92 3HD1 ILE 11 HD13 ILE 11 3.235 18.488 5.098 93 H GLU 12 HN GLU 12 0.485 13.632 5.025 94 HA GLU 12 HA GLU 12 -1.286 13.694 7.137 95 1HB GLU 12 HB2 GLU 12 -1.165 11.807 4.778 96 2HB GLU 12 HB1 GLU 12 -2.518 11.830 5.905 97 1HG GLU 12 HG2 GLU 12 -2.999 14.147 5.365 98 2HG GLU 12 HG1 GLU 12 -1.560 14.255 4.362 99 H ASN 13 HN ASN 13 1.281 11.445 6.573 100 HA ASN 13 HA ASN 13 0.313 9.371 8.325 101 1HB ASN 13 HB2 ASN 13 1.915 8.933 6.506 102 2HB ASN 13 HB1 ASN 13 3.118 9.920 7.339 103 1HD2 ASN 13 HD21 ASN 13 4.583 8.186 7.842 104 2HD2 ASN 13 HD22 ASN 13 4.170 6.926 8.900 105 H LEU 14 HN LEU 14 2.202 12.281 8.671 106 HA LEU 14 HA LEU 14 3.340 11.714 11.232 107 1HB LEU 14 HB2 LEU 14 2.771 14.454 10.076 108 2HB LEU 14 HB1 LEU 14 4.027 14.007 11.235 109 HG LEU 14 HG LEU 14 3.861 12.994 8.391 110 1HD1 LEU 14 HD11 LEU 14 4.400 15.471 8.658 111 2HD1 LEU 14 HD12 LEU 14 5.599 14.500 7.806 112 3HD1 LEU 14 HD13 LEU 14 5.875 14.957 9.476 113 1HD2 LEU 14 HD21 LEU 14 5.020 11.372 9.676 114 2HD2 LEU 14 HD22 LEU 14 5.894 12.609 10.586 115 3HD2 LEU 14 HD23 LEU 14 6.243 12.340 8.887 116 H LYS 15 HN LYS 15 0.417 13.348 10.137 117 HA LYS 15 HA LYS 15 -0.425 14.503 12.490 118 1HB LYS 15 HB2 LYS 15 -2.118 13.106 10.423 119 2HB LYS 15 HB1 LYS 15 -2.730 14.207 11.657 120 1HG LYS 15 HG2 LYS 15 -0.924 15.883 10.633 121 2HG LYS 15 HG1 LYS 15 -1.041 14.835 9.224 122 1HD LYS 15 HD2 LYS 15 -3.338 16.280 10.573 123 2HD LYS 15 HD1 LYS 15 -2.604 16.717 9.031 124 1HE LYS 15 HE2 LYS 15 -3.247 14.405 8.197 125 2HE LYS 15 HE1 LYS 15 -4.181 14.216 9.678 126 1HZ LYS 15 HZ1 LYS 15 -4.704 15.855 7.352 127 2HZ LYS 15 HZ2 LYS 15 -4.989 16.617 8.844 128 3HZ LYS 15 HZ3 LYS 15 -5.786 15.166 8.462 129 H GLN 16 HN GLN 16 -0.708 11.134 11.454 130 HA GLN 16 HA GLN 16 -2.292 10.258 13.647 131 1HB GLN 16 HB2 GLN 16 -2.079 8.990 11.538 132 2HB GLN 16 HB1 GLN 16 -0.386 8.667 11.916 133 1HG GLN 16 HG2 GLN 16 -0.995 7.418 13.898 134 2HG GLN 16 HG1 GLN 16 -2.685 7.890 13.735 135 1HE2 GLN 16 HE21 GLN 16 -1.999 5.146 13.818 136 2HE2 GLN 16 HE22 GLN 16 -2.271 4.463 12.288 137 H HIS 17 HN HIS 17 1.179 10.551 13.111 138 HA HIS 17 HA HIS 17 2.037 9.080 15.355 139 1HB HIS 17 HB2 HIS 17 3.381 11.473 14.073 140 2HB HIS 17 HB1 HIS 17 4.151 10.281 15.109 141 HD1 HIS 17 HD1 HIS 17 1.973 8.218 13.393 142 HD2 HIS 17 HD2 HIS 17 5.393 10.259 12.165 143 HE1 HIS 17 HE1 HIS 17 2.808 7.031 11.317 144 HE2 HIS 17 HE2 HIS 17 4.894 8.263 10.556 145 H ILE 18 HN ILE 18 1.521 12.590 14.974 146 HA ILE 18 HA ILE 18 1.975 13.140 17.762 147 HB ILE 18 HB ILE 18 1.237 15.419 17.201 148 1HG1 ILE 18 HG12 ILE 18 0.524 14.154 14.540 149 2HG1 ILE 18 HG11 ILE 18 -0.591 14.925 15.658 150 1HG2 ILE 18 HG21 ILE 18 2.982 14.327 14.967 151 2HG2 ILE 18 HG22 ILE 18 3.557 14.529 16.619 152 3HG2 ILE 18 HG23 ILE 18 3.044 15.933 15.695 153 1HD1 ILE 18 HD11 ILE 18 0.811 17.053 15.354 154 2HD1 ILE 18 HD12 ILE 18 -0.204 16.561 13.996 155 3HD1 ILE 18 HD13 ILE 18 1.529 16.235 13.965 156 H GLU 19 HN GLU 19 -0.897 12.861 15.705 157 HA GLU 19 HA GLU 19 -2.785 13.553 17.710 158 1HB GLU 19 HB2 GLU 19 -3.284 13.540 15.274 159 2HB GLU 19 HB1 GLU 19 -3.179 11.781 15.284 160 1HG GLU 19 HG2 GLU 19 -5.057 11.627 16.816 161 2HG GLU 19 HG1 GLU 19 -5.115 13.381 16.976 162 H MET 20 HN MET 20 -1.846 10.353 16.423 163 HA MET 20 HA MET 20 -3.022 9.063 18.816 164 1HB MET 20 HB2 MET 20 -2.036 7.821 16.228 165 2HB MET 20 HB1 MET 20 -2.890 6.999 17.528 166 1HG MET 20 HG2 MET 20 -4.817 8.541 17.195 167 2HG MET 20 HG1 MET 20 -3.975 9.248 15.814 168 1HE MET 20 HE1 MET 20 -5.115 8.690 13.676 169 2HE MET 20 HE2 MET 20 -6.429 8.629 14.850 170 3HE MET 20 HE3 MET 20 -6.320 7.395 13.596 171 H ASN 21 HN ASN 21 -1.500 6.719 18.675 172 HA ASN 21 HA ASN 21 1.314 7.466 19.029 173 1HB ASN 21 HB2 ASN 21 -0.408 6.453 21.299 174 2HB ASN 21 HB1 ASN 21 1.351 6.546 21.342 175 1HD2 ASN 21 HD21 ASN 21 -1.179 8.162 22.554 176 2HD2 ASN 21 HD22 ASN 21 -0.614 9.760 22.462 177 H GLN 22 HN GLN 22 0.253 5.832 17.102 178 HA GLN 22 HA GLN 22 -0.015 3.123 17.695 179 1HB GLN 22 HB2 GLN 22 -0.436 4.186 15.464 180 2HB GLN 22 HB1 GLN 22 1.309 4.279 15.228 181 1HG GLN 22 HG2 GLN 22 1.497 1.847 15.402 182 2HG GLN 22 HG1 GLN 22 -0.226 1.715 15.747 183 1HE2 GLN 22 HE21 GLN 22 0.798 0.343 13.521 184 2HE2 GLN 22 HE22 GLN 22 0.259 1.093 12.097 185 H SER 23 HN SER 23 2.921 4.941 16.834 186 HA SER 23 HA SER 23 4.611 3.493 18.579 187 1HB SER 23 HB2 SER 23 5.958 2.283 16.823 188 2HB SER 23 HB1 SER 23 4.357 1.606 17.086 189 HG SER 23 HG SER 23 3.952 2.026 15.077 190 H GLU 24 HN GLU 24 4.649 6.023 18.585 191 HA GLU 24 HA GLU 24 7.186 6.795 17.483 192 1HB GLU 24 HB2 GLU 24 5.352 7.094 15.600 193 2HB GLU 24 HB1 GLU 24 4.910 8.528 16.512 194 1HG GLU 24 HG2 GLU 24 6.515 9.279 14.884 195 2HG GLU 24 HG1 GLU 24 7.400 9.190 16.409 196 H ASP 25 HN ASP 25 5.985 9.669 17.552 197 HA ASP 25 HA ASP 25 5.436 10.067 20.390 198 1HB ASP 25 HB2 ASP 25 8.026 10.951 19.094 199 2HB ASP 25 HB1 ASP 25 7.445 11.565 20.645 200 H LYS 26 HN LYS 26 6.015 12.717 20.585 201 HA LYS 26 HA LYS 26 3.974 13.886 18.867 202 1HB LYS 26 HB2 LYS 26 4.132 14.384 21.297 203 2HB LYS 26 HB1 LYS 26 5.664 15.199 21.006 204 1HG LYS 26 HG2 LYS 26 4.548 16.799 19.501 205 2HG LYS 26 HG1 LYS 26 3.020 15.939 19.702 206 1HD LYS 26 HD2 LYS 26 3.056 16.441 22.120 207 2HD LYS 26 HD1 LYS 26 4.592 17.288 21.924 208 1HE LYS 26 HE2 LYS 26 3.574 18.915 20.460 209 2HE LYS 26 HE1 LYS 26 2.040 18.042 20.473 210 1HZ LYS 26 HZ1 LYS 26 1.980 18.409 22.904 211 2HZ LYS 26 HZ2 LYS 26 1.919 19.849 22.005 212 3HZ LYS 26 HZ3 LYS 26 3.363 19.380 22.768 213 H ILE 27 HN ILE 27 6.525 16.014 19.725 214 HA ILE 27 HA ILE 27 6.932 16.875 17.050 215 HB ILE 27 HB ILE 27 7.238 18.321 18.984 216 1HG1 ILE 27 HG12 ILE 27 10.009 18.145 17.811 217 2HG1 ILE 27 HG11 ILE 27 8.680 18.407 16.686 218 1HG2 ILE 27 HG21 ILE 27 9.099 18.038 20.517 219 2HG2 ILE 27 HG22 ILE 27 9.728 16.685 19.581 220 3HG2 ILE 27 HG23 ILE 27 8.209 16.515 20.464 221 1HD1 ILE 27 HD11 ILE 27 9.109 20.111 19.144 222 2HD1 ILE 27 HD12 ILE 27 8.021 20.422 17.787 223 3HD1 ILE 27 HD13 ILE 27 9.769 20.504 17.560 224 H HIS 28 HN HIS 28 8.672 14.651 19.167 225 HA HIS 28 HA HIS 28 10.962 14.358 17.518 226 1HB HIS 28 HB2 HIS 28 10.924 13.689 19.884 227 2HB HIS 28 HB1 HIS 28 9.769 12.415 19.512 228 HD1 HIS 28 HD1 HIS 28 13.295 13.499 18.614 229 HD2 HIS 28 HD2 HIS 28 10.955 10.049 18.609 230 HE1 HIS 28 HE1 HIS 28 14.838 11.588 17.996 231 HE2 HIS 28 HE2 HIS 28 13.426 9.477 17.989 232 H ALA 29 HN ALA 29 7.998 13.911 16.502 233 HA ALA 29 HA ALA 29 8.124 11.256 15.348 234 1HB ALA 29 HB1 ALA 29 6.224 13.561 14.873 235 2HB ALA 29 HB2 ALA 29 5.967 12.187 15.946 236 3HB ALA 29 HB3 ALA 29 6.042 11.938 14.203 237 H MET 30 HN MET 30 8.451 14.596 14.205 238 HA MET 30 HA MET 30 8.757 14.028 11.483 239 1HB MET 30 HB2 MET 30 9.766 16.233 11.312 240 2HB MET 30 HB1 MET 30 8.431 16.305 12.459 241 1HG MET 30 HG2 MET 30 10.282 15.809 14.256 242 2HG MET 30 HG1 MET 30 11.395 16.382 13.025 243 1HE MET 30 HE1 MET 30 11.201 17.345 15.753 244 2HE MET 30 HE2 MET 30 10.849 19.057 15.872 245 3HE MET 30 HE3 MET 30 12.138 18.510 14.812 246 H ASN 31 HN ASN 31 11.209 14.351 14.051 247 HA ASN 31 HA ASN 31 13.490 14.015 12.505 248 1HB ASN 31 HB2 ASN 31 13.016 12.906 15.282 249 2HB ASN 31 HB1 ASN 31 14.585 13.211 14.539 250 1HD2 ASN 31 HD21 ASN 31 13.647 15.755 13.254 251 2HD2 ASN 31 HD22 ASN 31 13.538 16.883 14.517 252 H SER 32 HN SER 32 11.669 11.442 14.198 253 HA SER 32 HA SER 32 13.151 9.271 13.218 254 1HB SER 32 HB2 SER 32 10.239 9.485 13.965 255 2HB SER 32 HB1 SER 32 11.058 7.953 13.665 256 HG SER 32 HG SER 32 11.322 9.774 15.765 257 H TYR 33 HN TYR 33 10.118 10.676 11.947 258 HA TYR 33 HA TYR 33 9.987 9.022 9.655 259 1HB TYR 33 HB2 TYR 33 7.918 10.028 10.034 260 2HB TYR 33 HB1 TYR 33 8.648 11.532 10.592 261 HD1 TYR 33 HD2 TYR 33 9.567 13.162 8.967 262 HD2 TYR 33 HD1 TYR 33 7.354 9.721 7.661 263 HE1 TYR 33 HE2 TYR 33 9.268 14.199 6.740 264 HE2 TYR 33 HE1 TYR 33 7.054 10.759 5.428 265 HH TYR 33 HH TYR 33 7.104 13.516 4.663 266 H TYR 34 HN TYR 34 11.808 11.887 10.404 267 HA TYR 34 HA TYR 34 12.282 12.709 7.699 268 1HB TYR 34 HB2 TYR 34 12.513 14.211 9.699 269 2HB TYR 34 HB1 TYR 34 13.978 13.338 10.133 270 HD1 TYR 34 HD1 TYR 34 12.346 15.490 7.606 271 HD2 TYR 34 HD2 TYR 34 16.037 13.712 8.908 272 HE1 TYR 34 HE1 TYR 34 13.602 16.925 6.021 273 HE2 TYR 34 HE2 TYR 34 17.290 15.157 7.331 274 HH TYR 34 HH TYR 34 15.760 16.932 4.862 275 H ARG 35 HN ARG 35 14.357 11.092 10.101 276 HA ARG 35 HA ARG 35 16.433 10.515 8.256 277 1HB ARG 35 HB2 ARG 35 17.275 9.017 10.000 278 2HB ARG 35 HB1 ARG 35 16.770 10.558 10.691 279 1HG ARG 35 HG2 ARG 35 14.586 9.535 11.302 280 2HG ARG 35 HG1 ARG 35 15.152 7.985 10.701 281 1HD ARG 35 HD2 ARG 35 16.537 9.564 12.874 282 2HD ARG 35 HD1 ARG 35 15.389 8.262 13.176 283 HE ARG 35 HE ARG 35 17.356 7.292 11.423 284 1HH1 ARG 35 HH21 ARG 35 16.981 8.450 14.662 285 2HH1 ARG 35 HH22 ARG 35 18.266 7.483 15.306 286 1HH2 ARG 35 HH11 ARG 35 19.045 6.022 12.259 287 2HH2 ARG 35 HH12 ARG 35 19.435 6.108 13.944 288 H SER 36 HN SER 36 13.400 8.990 8.977 289 HA SER 36 HA SER 36 14.006 6.379 8.036 290 1HB SER 36 HB2 SER 36 12.033 6.863 9.424 291 2HB SER 36 HB1 SER 36 11.353 7.826 8.116 292 HG SER 36 HG SER 36 10.539 5.969 7.540 293 H VAL 37 HN VAL 37 12.368 9.141 6.479 294 HA VAL 37 HA VAL 37 12.172 7.862 3.928 295 HB VAL 37 HB VAL 37 12.066 10.798 4.666 296 1HG1 VAL 37 HG11 VAL 37 11.349 9.330 2.109 297 2HG1 VAL 37 HG12 VAL 37 12.502 10.654 2.303 298 3HG1 VAL 37 HG13 VAL 37 10.775 10.959 2.480 299 1HG2 VAL 37 HG21 VAL 37 9.841 8.808 4.140 300 2HG2 VAL 37 HG22 VAL 37 9.652 10.494 4.627 301 3HG2 VAL 37 HG23 VAL 37 10.358 9.326 5.744 302 H VAL 38 HN VAL 38 14.278 10.493 5.117 303 HA VAL 38 HA VAL 38 15.849 10.814 2.869 304 HB VAL 38 HB VAL 38 16.692 10.943 5.778 305 1HG1 VAL 38 HG11 VAL 38 18.507 12.502 4.841 306 2HG1 VAL 38 HG12 VAL 38 18.129 11.825 3.259 307 3HG1 VAL 38 HG13 VAL 38 18.738 10.782 4.536 308 1HG2 VAL 38 HG21 VAL 38 16.274 13.314 5.563 309 2HG2 VAL 38 HG22 VAL 38 14.839 12.455 5.015 310 3HG2 VAL 38 HG23 VAL 38 15.950 13.147 3.843 311 H SER 39 HN SER 39 16.525 8.596 5.598 312 HA SER 39 HA SER 39 18.834 7.414 4.646 313 1HB SER 39 HB2 SER 39 16.549 6.162 6.170 314 2HB SER 39 HB1 SER 39 18.108 5.377 5.922 315 HG SER 39 HG SER 39 19.045 6.796 7.218 316 H THR 40 HN THR 40 15.518 6.179 4.144 317 HA THR 40 HA THR 40 16.247 4.157 2.338 318 HB THR 40 HB THR 40 13.606 5.633 2.382 319 HG1 THR 40 HG1 THR 40 13.146 4.592 4.158 320 1HG2 THR 40 HG21 THR 40 12.733 3.421 1.670 321 2HG2 THR 40 HG22 THR 40 14.384 2.800 1.623 322 3HG2 THR 40 HG23 THR 40 13.889 4.075 0.509 323 H LEU 41 HN LEU 41 15.226 7.515 1.834 324 HA LEU 41 HA LEU 41 15.053 7.426 -0.965 325 1HB LEU 41 HB2 LEU 41 14.478 9.338 0.843 326 2HB LEU 41 HB1 LEU 41 16.029 9.957 0.319 327 HG LEU 41 HG LEU 41 14.295 10.958 -0.998 328 1HD1 LEU 41 HD11 LEU 41 15.515 8.878 -2.825 329 2HD1 LEU 41 HD12 LEU 41 16.508 10.118 -2.057 330 3HD1 LEU 41 HD13 LEU 41 15.215 10.579 -3.154 331 1HD2 LEU 41 HD21 LEU 41 12.433 9.894 -1.807 332 2HD2 LEU 41 HD22 LEU 41 12.833 8.630 -0.663 333 3HD2 LEU 41 HD23 LEU 41 13.327 8.479 -2.348 334 H VAL 42 HN VAL 42 17.795 8.211 1.145 335 HA VAL 42 HA VAL 42 19.605 8.694 -1.031 336 HB VAL 42 HB VAL 42 20.083 8.221 1.921 337 1HG1 VAL 42 HG11 VAL 42 22.127 7.611 0.795 338 2HG1 VAL 42 HG12 VAL 42 22.354 9.258 1.383 339 3HG1 VAL 42 HG13 VAL 42 21.988 8.972 -0.319 340 1HG2 VAL 42 HG21 VAL 42 20.492 10.680 1.901 341 2HG2 VAL 42 HG22 VAL 42 18.852 10.292 1.384 342 3HG2 VAL 42 HG23 VAL 42 20.072 10.724 0.187 343 H GLN 43 HN GLN 43 18.863 5.957 1.066 344 HA GLN 43 HA GLN 43 20.957 4.276 0.036 345 1HB GLN 43 HB2 GLN 43 18.475 3.741 1.670 346 2HB GLN 43 HB1 GLN 43 19.601 2.468 1.208 347 1HG GLN 43 HG2 GLN 43 21.415 3.567 2.377 348 2HG GLN 43 HG1 GLN 43 20.412 4.972 2.716 349 1HE2 GLN 43 HE21 GLN 43 21.579 2.186 4.132 350 2HE2 GLN 43 HE22 GLN 43 20.377 1.949 5.305 351 H ASP 44 HN ASP 44 17.785 5.138 -1.030 352 HA ASP 44 HA ASP 44 17.675 2.848 -2.909 353 1HB ASP 44 HB2 ASP 44 15.683 3.484 -1.423 354 2HB ASP 44 HB1 ASP 44 15.509 4.918 -2.431 355 H GLN 45 HN GLN 45 15.931 4.336 -4.701 356 HA GLN 45 HA GLN 45 16.395 5.149 -6.848 357 1HB GLN 45 HB2 GLN 45 15.416 6.982 -5.525 358 2HB GLN 45 HB1 GLN 45 17.023 7.496 -5.035 359 1HG GLN 45 HG2 GLN 45 16.221 8.865 -6.868 360 2HG GLN 45 HG1 GLN 45 17.586 7.904 -7.416 361 1HE2 GLN 45 HE21 GLN 45 14.122 8.405 -7.725 362 2HE2 GLN 45 HE22 GLN 45 13.884 7.332 -9.018 363 H LEU 46 HN LEU 46 18.718 7.340 -5.448 364 HA LEU 46 HA LEU 46 20.910 7.768 -5.871 365 1HB LEU 46 HB2 LEU 46 20.796 4.761 -5.712 366 2HB LEU 46 HB1 LEU 46 22.313 5.512 -6.179 367 HG LEU 46 HG LEU 46 20.884 6.527 -3.720 368 1HD1 LEU 46 HD11 LEU 46 20.872 4.120 -3.339 369 2HD1 LEU 46 HD12 LEU 46 22.163 4.816 -2.360 370 3HD1 LEU 46 HD13 LEU 46 22.549 3.984 -3.864 371 1HD2 LEU 46 HD21 LEU 46 22.936 7.647 -4.586 372 2HD2 LEU 46 HD22 LEU 46 23.822 6.135 -4.388 373 3HD2 LEU 46 HD23 LEU 46 23.182 6.974 -2.973 374 H THR 47 HN THR 47 20.988 8.845 -7.732 375 HA THR 47 HA THR 47 22.006 7.542 -10.039 376 HB THR 47 HB THR 47 19.623 6.916 -10.227 377 HG1 THR 47 HG1 THR 47 19.580 7.383 -12.327 378 1HG2 THR 47 HG21 THR 47 18.800 9.015 -9.081 379 2HG2 THR 47 HG22 THR 47 17.906 8.554 -10.525 380 3HG2 THR 47 HG23 THR 47 19.085 9.865 -10.599 381 H LYS 48 HN LYS 48 20.731 10.334 -8.434 382 HA LYS 48 HA LYS 48 22.729 12.036 -9.632 383 1HB LYS 48 HB2 LYS 48 20.889 11.902 -11.375 384 2HB LYS 48 HB1 LYS 48 19.834 12.692 -10.212 385 1HG LYS 48 HG2 LYS 48 20.617 14.537 -11.404 386 2HG LYS 48 HG1 LYS 48 21.780 14.489 -10.085 387 1HD LYS 48 HD2 LYS 48 23.304 13.145 -11.570 388 2HD LYS 48 HD1 LYS 48 22.149 13.373 -12.878 389 1HE LYS 48 HE2 LYS 48 22.405 15.797 -12.707 390 2HE LYS 48 HE1 LYS 48 23.518 15.592 -11.350 391 1HZ LYS 48 HZ1 LYS 48 24.370 15.805 -13.819 392 2HZ LYS 48 HZ2 LYS 48 24.094 14.127 -13.805 393 3HZ LYS 48 HZ3 LYS 48 25.160 14.826 -12.681 394 H ASN 49 HN ASN 49 23.272 13.544 -8.137 395 HA ASN 49 HA ASN 49 22.124 13.701 -5.620 396 1HB ASN 49 HB2 ASN 49 23.501 15.948 -7.086 397 2HB ASN 49 HB1 ASN 49 23.310 15.795 -5.336 398 1HD2 ASN 49 HD21 ASN 49 23.728 12.809 -5.491 399 2HD2 ASN 49 HD22 ASN 49 25.394 12.608 -5.738 400 H ALA 50 HN ALA 50 20.930 14.974 -8.584 401 HA ALA 50 HA ALA 50 19.375 17.145 -7.439 402 1HB ALA 50 HB1 ALA 50 20.085 17.068 -9.839 403 2HB ALA 50 HB2 ALA 50 18.355 17.331 -9.623 404 3HB ALA 50 HB3 ALA 50 18.953 15.738 -10.089 405 H VAL 51 HN VAL 51 18.396 14.015 -8.889 406 HA VAL 51 HA VAL 51 15.691 14.022 -8.335 407 HB VAL 51 HB VAL 51 15.826 11.541 -8.209 408 1HG1 VAL 51 HG11 VAL 51 17.071 11.278 -10.449 409 2HG1 VAL 51 HG12 VAL 51 17.420 13.001 -10.339 410 3HG1 VAL 51 HG13 VAL 51 15.745 12.443 -10.416 411 1HG2 VAL 51 HG21 VAL 51 18.702 11.273 -8.741 412 2HG2 VAL 51 HG22 VAL 51 17.751 10.476 -7.504 413 3HG2 VAL 51 HG23 VAL 51 18.440 12.028 -7.210 414 H VAL 52 HN VAL 52 18.332 13.315 -6.082 415 HA VAL 52 HA VAL 52 16.538 12.674 -3.882 416 HB VAL 52 HB VAL 52 18.638 12.572 -2.540 417 1HG1 VAL 52 HG11 VAL 52 19.518 10.596 -3.613 418 2HG1 VAL 52 HG12 VAL 52 18.947 11.117 -5.188 419 3HG1 VAL 52 HG13 VAL 52 17.794 10.629 -3.961 420 1HG2 VAL 52 HG21 VAL 52 20.789 12.801 -3.778 421 2HG2 VAL 52 HG22 VAL 52 19.898 14.324 -3.721 422 3HG2 VAL 52 HG23 VAL 52 19.884 13.343 -5.183 423 H LEU 53 HN LEU 53 18.359 15.447 -5.047 424 HA LEU 53 HA LEU 53 18.313 17.038 -2.743 425 1HB LEU 53 HB2 LEU 53 19.535 17.634 -4.850 426 2HB LEU 53 HB1 LEU 53 17.995 17.984 -5.617 427 HG LEU 53 HG LEU 53 17.607 19.717 -3.820 428 1HD1 LEU 53 HD11 LEU 53 20.412 18.895 -3.047 429 2HD1 LEU 53 HD12 LEU 53 19.011 19.166 -2.014 430 3HD1 LEU 53 HD13 LEU 53 19.844 20.538 -2.738 431 1HD2 LEU 53 HD21 LEU 53 18.315 20.415 -6.009 432 2HD2 LEU 53 HD22 LEU 53 19.984 19.983 -5.677 433 3HD2 LEU 53 HD23 LEU 53 19.246 21.346 -4.839 434 H LYS 54 HN LYS 54 16.009 17.093 -5.473 435 HA LYS 54 HA LYS 54 14.221 18.931 -4.449 436 1HB LYS 54 HB2 LYS 54 12.619 18.056 -6.007 437 2HB LYS 54 HB1 LYS 54 14.206 17.886 -6.757 438 1HG LYS 54 HG2 LYS 54 14.233 15.510 -5.751 439 2HG LYS 54 HG1 LYS 54 12.516 15.729 -5.467 440 1HD LYS 54 HD2 LYS 54 13.875 15.939 -8.173 441 2HD LYS 54 HD1 LYS 54 12.962 14.545 -7.594 442 1HE LYS 54 HE2 LYS 54 10.988 16.111 -7.268 443 2HE LYS 54 HE1 LYS 54 11.915 17.319 -8.160 444 1HZ LYS 54 HZ1 LYS 54 10.857 14.738 -9.091 445 2HZ LYS 54 HZ2 LYS 54 12.177 15.462 -9.879 446 3HZ LYS 54 HZ3 LYS 54 10.688 16.276 -9.785 447 H ARG 55 HN ARG 55 14.371 15.441 -3.914 448 HA ARG 55 HA ARG 55 12.033 15.184 -2.386 449 1HB ARG 55 HB2 ARG 55 14.622 13.613 -2.324 450 2HB ARG 55 HB1 ARG 55 13.156 13.112 -1.500 451 1HG ARG 55 HG2 ARG 55 13.140 13.676 -4.473 452 2HG ARG 55 HG1 ARG 55 13.648 12.117 -3.868 453 1HD ARG 55 HD2 ARG 55 11.482 11.814 -2.754 454 2HD ARG 55 HD1 ARG 55 10.964 13.397 -3.297 455 HE ARG 55 HE ARG 55 10.550 12.504 -5.389 456 1HH1 ARG 55 HH21 ARG 55 12.606 10.418 -3.549 457 2HH1 ARG 55 HH22 ARG 55 12.531 9.112 -4.683 458 1HH2 ARG 55 HH11 ARG 55 10.440 10.795 -6.879 459 2HH2 ARG 55 HH12 ARG 55 11.306 9.327 -6.572 460 H ILE 56 HN ILE 56 15.372 15.964 -1.478 461 HA ILE 56 HA ILE 56 14.858 15.982 1.331 462 HB ILE 56 HB ILE 56 17.058 17.235 -0.333 463 1HG1 ILE 56 HG12 ILE 56 16.954 14.770 -0.328 464 2HG1 ILE 56 HG11 ILE 56 18.387 15.348 0.486 465 1HG2 ILE 56 HG21 ILE 56 16.711 17.086 2.672 466 2HG2 ILE 56 HG22 ILE 56 17.007 18.519 1.684 467 3HG2 ILE 56 HG23 ILE 56 18.282 17.321 1.902 468 1HD1 ILE 56 HD11 ILE 56 16.048 13.859 1.528 469 2HD1 ILE 56 HD12 ILE 56 16.725 15.068 2.615 470 3HD1 ILE 56 HD13 ILE 56 17.741 13.772 1.992 471 H GLN 57 HN GLN 57 15.145 18.569 -1.094 472 HA GLN 57 HA GLN 57 14.688 20.733 0.594 473 1HB GLN 57 HB2 GLN 57 13.954 20.344 -2.315 474 2HB GLN 57 HB1 GLN 57 13.876 21.895 -1.476 475 1HG GLN 57 HG2 GLN 57 16.276 21.734 -0.948 476 2HG GLN 57 HG1 GLN 57 16.356 20.181 -1.783 477 1HE2 GLN 57 HE21 GLN 57 18.055 21.805 -2.961 478 2HE2 GLN 57 HE22 GLN 57 17.432 22.550 -4.352 479 H HIS 58 HN HIS 58 12.360 18.750 -1.218 480 HA HIS 58 HA HIS 58 10.064 20.178 -0.347 481 1HB HIS 58 HB2 HIS 58 10.351 17.318 -1.312 482 2HB HIS 58 HB1 HIS 58 8.823 18.180 -1.123 483 HD1 HIS 58 HD1 HIS 58 9.361 17.324 -3.930 484 HD2 HIS 58 HD2 HIS 58 10.881 20.904 -2.429 485 HE1 HIS 58 HE1 HIS 58 9.864 18.787 -5.934 486 HE2 HIS 58 HE2 HIS 58 10.786 20.974 -5.034 487 H LEU 59 HN LEU 59 11.666 17.221 0.811 488 HA LEU 59 HA LEU 59 9.872 16.437 2.751 489 1HB LEU 59 HB2 LEU 59 11.976 15.224 2.146 490 2HB LEU 59 HB1 LEU 59 12.879 16.410 3.080 491 HG LEU 59 HG LEU 59 11.573 15.765 5.106 492 1HD1 LEU 59 HD11 LEU 59 9.534 14.879 4.487 493 2HD1 LEU 59 HD12 LEU 59 10.416 13.384 4.797 494 3HD1 LEU 59 HD13 LEU 59 10.197 13.951 3.142 495 1HD2 LEU 59 HD21 LEU 59 13.779 14.712 4.491 496 2HD2 LEU 59 HD22 LEU 59 12.877 13.362 3.803 497 3HD2 LEU 59 HD23 LEU 59 12.758 13.718 5.526 498 H ASP 60 HN ASP 60 11.951 19.208 2.737 499 HA ASP 60 HA ASP 60 12.052 19.736 5.510 500 1HB ASP 60 HB2 ASP 60 12.037 21.756 3.259 501 2HB ASP 60 HB1 ASP 60 12.656 22.003 4.891 502 H GLU 61 HN GLU 61 9.622 20.364 3.056 503 HA GLU 61 HA GLU 61 8.051 22.224 4.487 504 1HB GLU 61 HB2 GLU 61 6.450 21.942 2.800 505 2HB GLU 61 HB1 GLU 61 7.933 21.464 1.983 506 1HG GLU 61 HG2 GLU 61 7.304 19.026 2.680 507 2HG GLU 61 HG1 GLU 61 5.718 19.675 3.050 508 H ALA 62 HN ALA 62 8.072 18.693 4.421 509 HA ALA 62 HA ALA 62 5.724 18.328 5.956 510 1HB ALA 62 HB1 ALA 62 6.689 16.536 4.610 511 2HB ALA 62 HB2 ALA 62 6.613 16.041 6.301 512 3HB ALA 62 HB3 ALA 62 8.147 16.552 5.599 513 H TYR 63 HN TYR 63 9.152 18.013 6.895 514 HA TYR 63 HA TYR 63 8.741 17.677 9.612 515 1HB TYR 63 HB2 TYR 63 10.985 17.363 9.271 516 2HB TYR 63 HB1 TYR 63 10.991 18.425 7.867 517 HD1 TYR 63 HD2 TYR 63 11.327 20.851 8.108 518 HD2 TYR 63 HD1 TYR 63 11.488 18.240 11.515 519 HE1 TYR 63 HE2 TYR 63 12.356 22.665 9.449 520 HE2 TYR 63 HE1 TYR 63 12.518 20.054 12.856 521 HH TYR 63 HH TYR 63 13.983 22.581 11.734 522 H ASN 64 HN ASN 64 9.030 20.660 7.714 523 HA ASN 64 HA ASN 64 9.007 22.459 9.904 524 1HB ASN 64 HB2 ASN 64 9.791 23.103 7.664 525 2HB ASN 64 HB1 ASN 64 8.156 22.920 7.032 526 1HD2 ASN 64 HD21 ASN 64 9.060 25.419 6.642 527 2HD2 ASN 64 HD22 ASN 64 8.462 26.513 7.795 528 H LYS 65 HN LYS 65 6.461 21.112 7.860 529 HA LYS 65 HA LYS 65 4.357 22.679 8.856 530 1HB LYS 65 HB2 LYS 65 4.335 21.146 6.816 531 2HB LYS 65 HB1 LYS 65 4.073 19.810 7.931 532 1HG LYS 65 HG2 LYS 65 2.013 20.823 8.732 533 2HG LYS 65 HG1 LYS 65 2.305 22.271 7.768 534 1HD LYS 65 HD2 LYS 65 2.240 20.842 5.705 535 2HD LYS 65 HD1 LYS 65 1.796 19.486 6.726 536 1HE LYS 65 HE2 LYS 65 0.225 22.057 6.588 537 2HE LYS 65 HE1 LYS 65 -0.173 20.597 5.679 538 1HZ LYS 65 HZ1 LYS 65 -1.302 19.969 7.467 539 2HZ LYS 65 HZ2 LYS 65 -0.633 21.197 8.433 540 3HZ LYS 65 HZ3 LYS 65 0.190 19.723 8.235 541 H VAL 66 HN VAL 66 5.756 19.630 9.977 542 HA VAL 66 HA VAL 66 3.863 18.913 11.877 543 HB VAL 66 HB VAL 66 6.884 18.591 11.972 544 1HG1 VAL 66 HG11 VAL 66 6.183 18.323 14.237 545 2HG1 VAL 66 HG12 VAL 66 6.331 16.693 13.586 546 3HG1 VAL 66 HG13 VAL 66 4.737 17.431 13.761 547 1HG2 VAL 66 HG21 VAL 66 5.539 17.508 10.097 548 2HG2 VAL 66 HG22 VAL 66 4.762 16.529 11.334 549 3HG2 VAL 66 HG23 VAL 66 6.503 16.423 11.088 550 H LYS 67 HN LYS 67 6.842 20.773 12.504 551 HA LYS 67 HA LYS 67 6.167 21.465 15.147 552 1HB LYS 67 HB2 LYS 67 7.874 23.077 13.244 553 2HB LYS 67 HB1 LYS 67 7.957 23.043 15.005 554 1HG LYS 67 HG2 LYS 67 8.352 20.432 14.645 555 2HG LYS 67 HG1 LYS 67 8.833 20.934 13.026 556 1HD LYS 67 HD2 LYS 67 10.002 21.860 15.639 557 2HD LYS 67 HD1 LYS 67 10.758 20.798 14.456 558 1HE LYS 67 HE2 LYS 67 10.588 22.692 12.776 559 2HE LYS 67 HE1 LYS 67 10.098 23.736 14.110 560 1HZ LYS 67 HZ1 LYS 67 12.641 22.201 13.970 561 2HZ LYS 67 HZ2 LYS 67 12.173 23.237 15.232 562 3HZ LYS 67 HZ3 LYS 67 12.481 23.865 13.684 563 H ARG 68 HN ARG 68 5.818 23.250 12.112 564 HA ARG 68 HA ARG 68 4.825 25.651 13.049 565 1HB ARG 68 HB2 ARG 68 5.407 25.042 10.648 566 2HB ARG 68 HB1 ARG 68 3.830 24.262 10.548 567 1HG ARG 68 HG2 ARG 68 2.709 26.356 11.052 568 2HG ARG 68 HG1 ARG 68 4.256 27.160 11.302 569 1HD ARG 68 HD2 ARG 68 4.857 26.746 8.955 570 2HD ARG 68 HD1 ARG 68 3.315 25.930 8.698 571 HE ARG 68 HE ARG 68 3.750 28.784 8.813 572 1HH1 ARG 68 HH21 ARG 68 1.506 26.213 9.387 573 2HH1 ARG 68 HH22 ARG 68 0.105 27.211 9.193 574 1HH2 ARG 68 HH11 ARG 68 1.917 30.096 8.552 575 2HH2 ARG 68 HH12 ARG 68 0.336 29.407 8.720 576 H GLY 69 HN GLY 69 3.425 22.561 13.230 577 1HA GLY 69 HA2 GLY 69 0.681 23.583 13.597 578 2HA GLY 69 HA1 GLY 69 1.164 21.905 13.378 579 H GLU 70 HN GLU 70 3.455 22.665 15.348 580 HA GLU 70 HA GLU 70 1.919 21.974 17.787 581 1HB GLU 70 HB2 GLU 70 4.874 21.759 17.144 582 2HB GLU 70 HB1 GLU 70 4.117 21.245 18.650 583 1HG GLU 70 HG2 GLU 70 3.346 20.189 15.927 584 2HG GLU 70 HG1 GLU 70 4.477 19.378 16.994 585 H SER 71 HN SER 71 5.083 23.255 18.140 586 HA SER 71 HA SER 71 5.854 25.089 19.301 587 1HB SER 71 HB2 SER 71 5.420 26.300 17.285 588 2HB SER 71 HB1 SER 71 3.684 26.304 17.582 589 HG SER 71 HG SER 71 5.725 27.819 18.753 590 H LYS 72 HN LYS 72 3.965 23.451 20.665 591 HA LYS 72 HA LYS 72 2.293 25.341 22.217 592 1HB LYS 72 HB2 LYS 72 2.430 22.317 22.111 593 2HB LYS 72 HB1 LYS 72 1.399 23.211 23.230 594 1HG LYS 72 HG2 LYS 72 0.292 24.318 21.309 595 2HG LYS 72 HG1 LYS 72 1.305 23.393 20.202 596 1HD LYS 72 HD2 LYS 72 0.364 21.294 21.058 597 2HD LYS 72 HD1 LYS 72 -0.617 22.193 22.217 598 1HE LYS 72 HE2 LYS 72 -1.981 21.620 20.269 599 2HE LYS 72 HE1 LYS 72 -1.728 23.366 20.321 600 1HZ LYS 72 HZ1 LYS 72 0.399 22.257 18.913 601 2HZ LYS 72 HZ2 LYS 72 -0.848 23.242 18.312 602 3HZ LYS 72 HZ3 LYS 72 -1.014 21.551 18.295 603 H LEU 73 HN LEU 73 5.235 23.523 22.384 604 HA LEU 73 HA LEU 73 5.438 23.784 25.315 605 1HB LEU 73 HB2 LEU 73 7.430 22.537 23.406 606 2HB LEU 73 HB1 LEU 73 7.316 22.305 25.151 607 HG LEU 73 HG LEU 73 5.258 21.433 23.094 608 1HD1 LEU 73 HD11 LEU 73 5.936 19.147 23.847 609 2HD1 LEU 73 HD12 LEU 73 7.223 19.883 24.803 610 3HD1 LEU 73 HD13 LEU 73 7.234 20.032 23.045 611 1HD2 LEU 73 HD21 LEU 73 4.310 20.204 25.182 612 2HD2 LEU 73 HD22 LEU 73 4.003 21.932 25.056 613 3HD2 LEU 73 HD23 LEU 73 5.272 21.341 26.128 614 H GLU 74 HN GLU 74 5.964 25.719 22.730 615 HA GLU 74 HA GLU 74 7.762 27.451 24.196 616 1HB GLU 74 HB2 GLU 74 9.445 27.541 22.355 617 2HB GLU 74 HB1 GLU 74 9.409 25.993 23.196 618 1HG GLU 74 HG2 GLU 74 7.982 25.052 21.409 619 2HG GLU 74 HG1 GLU 74 8.031 26.593 20.558 620 H HIS 75 HN HIS 75 5.127 27.809 23.397 621 HA HIS 75 HA HIS 75 4.830 29.106 20.904 622 1HB HIS 75 HB2 HIS 75 2.919 28.286 22.240 623 2HB HIS 75 HB1 HIS 75 3.256 29.515 23.461 624 HD1 HIS 75 HD1 HIS 75 2.474 29.332 19.730 625 HD2 HIS 75 HD2 HIS 75 1.995 31.930 22.955 626 HE1 HIS 75 HE1 HIS 75 1.117 31.292 18.875 627 HE2 HIS 75 HE2 HIS 75 0.816 32.885 20.829 628 H HIS 76 HN HIS 76 5.329 30.407 24.184 629 HA HIS 76 HA HIS 76 5.934 32.512 24.904 630 1HB HIS 76 HB2 HIS 76 7.745 32.087 22.511 631 2HB HIS 76 HB1 HIS 76 7.929 33.441 23.625 632 HD1 HIS 76 HD1 HIS 76 8.629 29.819 23.266 633 HD2 HIS 76 HD2 HIS 76 8.601 32.633 26.343 634 HE1 HIS 76 HE1 HIS 76 9.854 28.762 25.215 635 HE2 HIS 76 HE2 HIS 76 9.845 30.466 27.098 636 H HIS 77 HN HIS 77 6.626 34.840 23.777 637 HA HIS 77 HA HIS 77 4.232 35.592 22.178 638 1HB HIS 77 HB2 HIS 77 6.043 37.268 23.933 639 2HB HIS 77 HB1 HIS 77 4.645 37.864 23.036 640 HD1 HIS 77 HD1 HIS 77 2.300 36.555 23.661 641 HD2 HIS 77 HD2 HIS 77 5.392 36.312 26.448 642 HE1 HIS 77 HE1 HIS 77 1.238 35.844 25.849 643 HE2 HIS 77 HE2 HIS 77 3.111 35.692 27.557 644 H HIS 78 HN HIS 78 4.517 36.107 20.130 645 HA HIS 78 HA HIS 78 7.136 36.252 18.948 646 1HB HIS 78 HB2 HIS 78 4.384 36.811 17.813 647 2HB HIS 78 HB1 HIS 78 5.866 36.746 16.861 648 HD1 HIS 78 HD1 HIS 78 3.424 34.583 18.694 649 HD2 HIS 78 HD2 HIS 78 6.983 34.120 16.573 650 HE1 HIS 78 HE1 HIS 78 3.694 32.099 18.283 651 HE2 HIS 78 HE2 HIS 78 5.859 31.800 16.991 652 H HIS 79 HN HIS 79 8.196 38.019 18.106 653 HA HIS 79 HA HIS 79 8.929 40.197 18.083 654 1HB HIS 79 HB2 HIS 79 5.957 40.688 17.766 655 2HB HIS 79 HB1 HIS 79 7.222 41.875 17.451 656 HD1 HIS 79 HD1 HIS 79 5.687 38.745 16.081 657 HD2 HIS 79 HD2 HIS 79 8.765 41.378 15.095 658 HE1 HIS 79 HE1 HIS 79 6.383 38.179 13.712 659 HE2 HIS 79 HE2 HIS 79 8.259 39.776 13.096 660 H HIS 80 HN HIS 80 9.658 40.157 20.268 661 HA HIS 80 HA HIS 80 8.050 40.727 22.510 662 1HB HIS 80 HB2 HIS 80 10.338 39.784 22.648 663 2HB HIS 80 HB1 HIS 80 10.992 41.334 22.119 664 HD1 HIS 80 HD1 HIS 80 8.889 39.891 24.948 665 HD2 HIS 80 HD2 HIS 80 11.352 43.165 24.179 666 HE1 HIS 80 HE1 HIS 80 9.137 41.131 27.142 667 HE2 HIS 80 HE2 HIS 80 10.636 43.130 26.690 668 1H MET 1 HT1 MET 1 39.176 26.153 16.433 669 2H MET 1 HT2 MET 1 40.306 26.243 15.168 670 3H MET 1 HT3 MET 1 38.642 26.221 14.824 671 HA MET 1 HA MET 1 38.607 28.348 16.304 672 1HB MET 1 HB2 MET 1 41.451 28.191 15.266 673 2HB MET 1 HB1 MET 1 40.715 29.630 15.968 674 1HG MET 1 HG2 MET 1 40.926 26.976 17.421 675 2HG MET 1 HG1 MET 1 42.104 28.274 17.592 676 1HE MET 1 HE1 MET 1 41.191 30.827 17.963 677 2HE MET 1 HE2 MET 1 41.959 30.041 19.340 678 3HE MET 1 HE3 MET 1 40.492 30.987 19.578 679 H SER 2 HN SER 2 37.633 27.125 13.937 680 HA SER 2 HA SER 2 37.469 29.453 12.218 681 1HB SER 2 HB2 SER 2 38.283 28.384 10.205 682 2HB SER 2 HB1 SER 2 39.552 28.329 11.426 683 HG SER 2 HG SER 2 38.599 26.317 10.121 684 H GLU 3 HN GLU 3 35.855 29.206 10.552 685 HA GLU 3 HA GLU 3 33.652 27.567 11.465 686 1HB GLU 3 HB2 GLU 3 33.435 29.934 10.563 687 2HB GLU 3 HB1 GLU 3 33.747 29.267 8.964 688 1HG GLU 3 HG2 GLU 3 31.356 29.368 9.203 689 2HG GLU 3 HG1 GLU 3 31.804 27.673 9.371 690 H LEU 4 HN LEU 4 32.951 25.682 10.611 691 HA LEU 4 HA LEU 4 33.039 23.709 9.383 692 1HB LEU 4 HB2 LEU 4 33.462 25.805 7.242 693 2HB LEU 4 HB1 LEU 4 33.165 24.114 6.871 694 HG LEU 4 HG LEU 4 31.211 25.472 8.723 695 1HD1 LEU 4 HD11 LEU 4 31.306 25.948 5.735 696 2HD1 LEU 4 HD12 LEU 4 31.446 27.160 7.008 697 3HD1 LEU 4 HD13 LEU 4 29.919 26.313 6.764 698 1HD2 LEU 4 HD21 LEU 4 29.615 24.018 7.545 699 2HD2 LEU 4 HD22 LEU 4 30.993 23.075 8.114 700 3HD2 LEU 4 HD23 LEU 4 30.875 23.528 6.414 701 H PHE 5 HN PHE 5 34.482 22.948 7.179 702 HA PHE 5 HA PHE 5 36.462 21.823 6.821 703 1HB PHE 5 HB2 PHE 5 37.439 24.629 7.383 704 2HB PHE 5 HB1 PHE 5 38.411 23.358 6.639 705 HD1 PHE 5 HD1 PHE 5 37.790 22.416 4.433 706 HD2 PHE 5 HD2 PHE 5 35.692 25.757 6.131 707 HE1 PHE 5 HE1 PHE 5 36.828 22.943 2.209 708 HE2 PHE 5 HE2 PHE 5 34.730 26.284 3.907 709 HZ PHE 5 HZ PHE 5 35.298 24.877 1.946 710 H SER 6 HN SER 6 36.121 20.597 8.802 711 HA SER 6 HA SER 6 38.227 19.957 10.234 712 1HB SER 6 HB2 SER 6 37.827 21.274 12.497 713 2HB SER 6 HB1 SER 6 38.812 22.009 11.242 714 HG SER 6 HG SER 6 37.188 23.448 11.984 715 H VAL 7 HN VAL 7 36.648 18.157 9.922 716 HA VAL 7 HA VAL 7 34.193 17.769 11.017 717 HB VAL 7 HB VAL 7 36.607 15.978 11.009 718 1HG1 VAL 7 HG11 VAL 7 35.597 15.166 13.016 719 2HG1 VAL 7 HG12 VAL 7 35.017 14.078 11.758 720 3HG1 VAL 7 HG13 VAL 7 33.972 15.368 12.362 721 1HG2 VAL 7 HG21 VAL 7 35.314 16.369 8.929 722 2HG2 VAL 7 HG22 VAL 7 33.875 15.732 9.719 723 3HG2 VAL 7 HG23 VAL 7 35.265 14.681 9.432 724 HA PRO 8 HA PRO 8 35.927 17.044 15.529 725 1HB PRO 8 HB2 PRO 8 38.250 18.568 16.046 726 2HB PRO 8 HB1 PRO 8 38.226 16.821 15.723 727 1HG PRO 8 HG2 PRO 8 38.703 19.080 13.800 728 2HG PRO 8 HG1 PRO 8 39.599 17.553 13.985 729 1HD PRO 8 HD2 PRO 8 37.841 17.718 12.020 730 2HD PRO 8 HD1 PRO 8 37.839 16.267 13.032 731 H TYR 9 HN TYR 9 36.020 19.965 13.653 732 HA TYR 9 HA TYR 9 35.648 21.785 15.798 733 1HB TYR 9 HB2 TYR 9 36.408 22.699 13.728 734 2HB TYR 9 HB1 TYR 9 35.069 22.009 12.826 735 HD1 TYR 9 HD2 TYR 9 35.209 23.969 16.031 736 HD2 TYR 9 HD1 TYR 9 33.752 23.779 11.993 737 HE1 TYR 9 HE2 TYR 9 33.885 26.020 16.415 738 HE2 TYR 9 HE1 TYR 9 32.417 25.828 12.373 739 HH TYR 9 HH TYR 9 32.943 27.950 14.622 740 H PHE 10 HN PHE 10 33.391 20.110 13.646 741 HA PHE 10 HA PHE 10 31.048 21.314 14.787 742 1HB PHE 10 HB2 PHE 10 31.636 19.120 12.829 743 2HB PHE 10 HB1 PHE 10 30.024 19.168 13.539 744 HD1 PHE 10 HD2 PHE 10 32.195 22.129 12.766 745 HD2 PHE 10 HD1 PHE 10 28.736 19.845 11.640 746 HE1 PHE 10 HE2 PHE 10 31.521 23.923 11.204 747 HE2 PHE 10 HE1 PHE 10 28.072 21.651 10.082 748 HZ PHE 10 HZ PHE 10 29.454 23.682 9.862 749 H ILE 11 HN ILE 11 32.633 18.154 15.182 750 HA ILE 11 HA ILE 11 30.765 17.081 16.979 751 HB ILE 11 HB ILE 11 33.734 16.529 16.879 752 1HG1 ILE 11 HG12 ILE 11 31.443 15.320 15.280 753 2HG1 ILE 11 HG11 ILE 11 32.716 16.345 14.634 754 1HG2 ILE 11 HG21 ILE 11 32.459 15.604 18.848 755 2HG2 ILE 11 HG22 ILE 11 33.123 14.354 17.805 756 3HG2 ILE 11 HG23 ILE 11 31.410 14.761 17.710 757 1HD1 ILE 11 HD11 ILE 11 34.390 14.630 15.433 758 2HD1 ILE 11 HD12 ILE 11 33.315 14.052 14.162 759 3HD1 ILE 11 HD13 ILE 11 33.029 13.580 15.828 760 H GLU 12 HN GLU 12 33.739 18.939 17.530 761 HA GLU 12 HA GLU 12 33.903 18.828 20.297 762 1HB GLU 12 HB2 GLU 12 34.665 20.898 18.255 763 2HB GLU 12 HB1 GLU 12 34.753 21.356 19.950 764 1HG GLU 12 HG2 GLU 12 36.330 19.604 20.430 765 2HG GLU 12 HG1 GLU 12 36.102 18.871 18.849 766 H ASN 13 HN ASN 13 31.662 20.666 18.308 767 HA ASN 13 HA ASN 13 30.680 22.322 20.421 768 1HB ASN 13 HB2 ASN 13 30.444 22.811 17.973 769 2HB ASN 13 HB1 ASN 13 29.265 21.505 17.874 770 1HD2 ASN 13 HD21 ASN 13 29.647 23.823 20.578 771 2HD2 ASN 13 HD22 ASN 13 28.107 24.513 20.406 772 H LEU 14 HN LEU 14 29.628 19.263 18.966 773 HA LEU 14 HA LEU 14 27.243 18.937 20.441 774 1HB LEU 14 HB2 LEU 14 29.049 16.734 19.405 775 2HB LEU 14 HB1 LEU 14 27.312 16.645 19.710 776 HG LEU 14 HG LEU 14 28.633 18.441 17.658 777 1HD1 LEU 14 HD11 LEU 14 26.961 15.970 17.181 778 2HD1 LEU 14 HD12 LEU 14 28.722 15.984 17.146 779 3HD1 LEU 14 HD13 LEU 14 27.806 16.944 15.985 780 1HD2 LEU 14 HD21 LEU 14 25.753 18.005 18.488 781 2HD2 LEU 14 HD22 LEU 14 26.160 18.568 16.875 782 3HD2 LEU 14 HD23 LEU 14 26.623 19.525 18.269 783 H LYS 15 HN LYS 15 30.590 18.016 21.082 784 HA LYS 15 HA LYS 15 30.151 16.411 23.316 785 1HB LYS 15 HB2 LYS 15 32.349 16.852 22.033 786 2HB LYS 15 HB1 LYS 15 32.512 18.283 23.047 787 1HG LYS 15 HG2 LYS 15 33.674 16.726 24.359 788 2HG LYS 15 HG1 LYS 15 32.057 16.539 25.032 789 1HD LYS 15 HD2 LYS 15 31.674 14.615 23.496 790 2HD LYS 15 HD1 LYS 15 33.318 14.800 22.890 791 1HE LYS 15 HE2 LYS 15 34.200 14.420 25.162 792 2HE LYS 15 HE1 LYS 15 32.551 14.223 25.763 793 1HZ LYS 15 HZ1 LYS 15 33.593 12.594 23.533 794 2HZ LYS 15 HZ2 LYS 15 32.248 12.293 24.527 795 3HZ LYS 15 HZ3 LYS 15 33.822 12.130 25.148 796 H GLN 16 HN GLN 16 30.435 19.922 23.013 797 HA GLN 16 HA GLN 16 30.318 20.406 25.856 798 1HB GLN 16 HB2 GLN 16 31.400 21.948 24.208 799 2HB GLN 16 HB1 GLN 16 29.794 22.356 23.604 800 1HG GLN 16 HG2 GLN 16 29.137 23.132 25.848 801 2HG GLN 16 HG1 GLN 16 30.727 22.701 26.470 802 1HE2 GLN 16 HE21 GLN 16 31.659 24.733 26.888 803 2HE2 GLN 16 HE22 GLN 16 31.803 25.966 25.730 804 H HIS 17 HN HIS 17 28.011 20.048 23.282 805 HA HIS 17 HA HIS 17 25.806 21.319 24.548 806 1HB HIS 17 HB2 HIS 17 25.932 19.128 22.460 807 2HB HIS 17 HB1 HIS 17 24.437 19.905 22.966 808 HD1 HIS 17 HD1 HIS 17 24.581 20.583 20.261 809 HD2 HIS 17 HD2 HIS 17 27.153 22.549 22.887 810 HE1 HIS 17 HE1 HIS 17 25.320 22.701 19.087 811 HE2 HIS 17 HE2 HIS 17 26.893 23.910 20.673 812 H ILE 18 HN ILE 18 26.730 17.870 24.360 813 HA ILE 18 HA ILE 18 24.661 17.016 26.166 814 HB ILE 18 HB ILE 18 25.607 14.839 25.946 815 1HG1 ILE 18 HG12 ILE 18 28.148 16.300 25.146 816 2HG1 ILE 18 HG11 ILE 18 27.918 15.161 26.468 817 1HG2 ILE 18 HG21 ILE 18 24.641 16.036 23.854 818 2HG2 ILE 18 HG22 ILE 18 25.556 14.557 23.597 819 3HG2 ILE 18 HG23 ILE 18 26.305 16.122 23.291 820 1HD1 ILE 18 HD11 ILE 18 28.114 14.594 23.513 821 2HD1 ILE 18 HD12 ILE 18 27.379 13.428 24.619 822 3HD1 ILE 18 HD13 ILE 18 29.065 13.910 24.832 823 H GLU 19 HN GLU 19 28.158 17.573 26.468 824 HA GLU 19 HA GLU 19 28.333 16.797 29.208 825 1HB GLU 19 HB2 GLU 19 30.125 18.584 27.535 826 2HB GLU 19 HB1 GLU 19 30.506 18.068 29.169 827 1HG GLU 19 HG2 GLU 19 29.984 16.137 26.884 828 2HG GLU 19 HG1 GLU 19 31.586 16.649 27.394 829 H MET 20 HN MET 20 28.146 19.995 27.633 830 HA MET 20 HA MET 20 27.640 21.255 30.246 831 1HB MET 20 HB2 MET 20 29.167 22.116 28.174 832 2HB MET 20 HB1 MET 20 27.658 22.895 27.728 833 1HG MET 20 HG2 MET 20 28.763 24.492 29.111 834 2HG MET 20 HG1 MET 20 27.581 23.731 30.179 835 1HE MET 20 HE1 MET 20 31.358 22.090 29.124 836 2HE MET 20 HE2 MET 20 32.105 23.367 30.080 837 3HE MET 20 HE3 MET 20 31.012 23.789 28.764 838 H ASN 21 HN ASN 21 26.164 23.434 29.023 839 HA ASN 21 HA ASN 21 23.719 22.372 27.940 840 1HB ASN 21 HB2 ASN 21 23.549 21.718 30.347 841 2HB ASN 21 HB1 ASN 21 23.679 23.424 30.779 842 1HD2 ASN 21 HD21 ASN 21 21.665 21.177 28.826 843 2HD2 ASN 21 HD22 ASN 21 20.239 22.084 28.984 844 H GLN 22 HN GLN 22 25.533 24.368 27.104 845 HA GLN 22 HA GLN 22 24.945 26.986 27.863 846 1HB GLN 22 HB2 GLN 22 26.787 26.360 26.320 847 2HB GLN 22 HB1 GLN 22 25.594 26.006 25.070 848 1HG GLN 22 HG2 GLN 22 24.851 28.322 25.041 849 2HG GLN 22 HG1 GLN 22 25.884 28.709 26.416 850 1HE2 GLN 22 HE21 GLN 22 27.474 30.058 25.524 851 2HE2 GLN 22 HE22 GLN 22 28.410 29.660 24.164 852 H SER 23 HN SER 23 23.462 25.050 25.271 853 HA SER 23 HA SER 23 20.852 26.061 25.711 854 1HB SER 23 HB2 SER 23 20.641 27.368 23.568 855 2HB SER 23 HB1 SER 23 21.646 28.149 24.782 856 HG SER 23 HG SER 23 23.201 28.068 23.386 857 H GLU 24 HN GLU 24 21.196 23.573 25.578 858 HA GLU 24 HA GLU 24 20.006 22.715 23.111 859 1HB GLU 24 HB2 GLU 24 22.695 22.809 22.880 860 2HB GLU 24 HB1 GLU 24 22.569 21.233 23.643 861 1HG GLU 24 HG2 GLU 24 22.467 20.782 21.295 862 2HG GLU 24 HG1 GLU 24 20.800 20.678 21.855 863 H ASP 25 HN ASP 25 21.060 19.944 23.575 864 HA ASP 25 HA ASP 25 19.861 19.247 26.187 865 1HB ASP 25 HB2 ASP 25 18.942 18.118 23.530 866 2HB ASP 25 HB1 ASP 25 18.413 17.564 25.116 867 H LYS 26 HN LYS 26 19.744 16.515 25.763 868 HA LYS 26 HA LYS 26 22.576 15.855 25.915 869 1HB LYS 26 HB2 LYS 26 20.855 14.951 27.485 870 2HB LYS 26 HB1 LYS 26 20.182 14.017 26.153 871 1HG LYS 26 HG2 LYS 26 22.396 12.902 25.852 872 2HG LYS 26 HG1 LYS 26 23.029 13.838 27.203 873 1HD LYS 26 HD2 LYS 26 21.351 12.824 28.699 874 2HD LYS 26 HD1 LYS 26 20.707 11.889 27.347 875 1HE LYS 26 HE2 LYS 26 22.255 10.505 28.646 876 2HE LYS 26 HE1 LYS 26 22.933 10.829 27.049 877 1HZ LYS 26 HZ1 LYS 26 24.490 12.241 27.887 878 2HZ LYS 26 HZ2 LYS 26 24.342 11.180 29.207 879 3HZ LYS 26 HZ3 LYS 26 23.551 12.683 29.228 880 H ILE 27 HN ILE 27 20.729 13.298 24.655 881 HA ILE 27 HA ILE 27 22.426 13.010 22.414 882 HB ILE 27 HB ILE 27 19.710 11.767 22.835 883 1HG1 ILE 27 HG12 ILE 27 22.455 11.134 23.968 884 2HG1 ILE 27 HG11 ILE 27 20.918 11.229 24.812 885 1HG2 ILE 27 HG21 ILE 27 22.098 10.666 21.319 886 2HG2 ILE 27 HG22 ILE 27 20.853 11.618 20.518 887 3HG2 ILE 27 HG23 ILE 27 20.434 10.091 21.278 888 1HD1 ILE 27 HD11 ILE 27 21.373 8.907 24.666 889 2HD1 ILE 27 HD12 ILE 27 21.915 9.041 22.990 890 3HD1 ILE 27 HD13 ILE 27 20.209 9.206 23.379 891 H HIS 28 HN HIS 28 19.138 14.264 22.807 892 HA HIS 28 HA HIS 28 18.398 14.535 20.158 893 1HB HIS 28 HB2 HIS 28 17.833 16.347 22.517 894 2HB HIS 28 HB1 HIS 28 17.036 16.520 20.958 895 HD1 HIS 28 HD1 HIS 28 15.939 14.075 20.108 896 HD2 HIS 28 HD2 HIS 28 16.434 14.685 24.202 897 HE1 HIS 28 HE1 HIS 28 14.409 12.423 21.268 898 HE2 HIS 28 HE2 HIS 28 14.699 12.783 23.765 899 H ALA 29 HN ALA 29 20.722 16.390 21.977 900 HA ALA 29 HA ALA 29 20.990 18.741 20.595 901 1HB ALA 29 HB1 ALA 29 23.425 18.606 21.089 902 2HB ALA 29 HB2 ALA 29 23.216 16.909 21.518 903 3HB ALA 29 HB3 ALA 29 22.431 18.162 22.476 904 H MET 30 HN MET 30 21.862 15.524 19.490 905 HA MET 30 HA MET 30 23.359 16.330 17.230 906 1HB MET 30 HB2 MET 30 23.046 14.062 16.448 907 2HB MET 30 HB1 MET 30 23.379 14.042 18.175 908 1HG MET 30 HG2 MET 30 21.556 12.581 18.140 909 2HG MET 30 HG1 MET 30 20.674 14.086 18.308 910 1HE MET 30 HE1 MET 30 19.823 11.138 17.153 911 2HE MET 30 HE2 MET 30 18.625 11.673 15.976 912 3HE MET 30 HE3 MET 30 18.713 12.457 17.551 913 H ASN 31 HN ASN 31 19.931 15.384 17.602 914 HA ASN 31 HA ASN 31 19.184 15.708 14.922 915 1HB ASN 31 HB2 ASN 31 17.747 14.623 16.599 916 2HB ASN 31 HB1 ASN 31 17.509 16.170 17.405 917 1HD2 ASN 31 HD21 ASN 31 16.039 17.695 16.434 918 2HD2 ASN 31 HD22 ASN 31 15.072 17.296 15.098 919 H SER 32 HN SER 32 18.726 18.032 17.594 920 HA SER 32 HA SER 32 17.764 20.167 16.086 921 1HB SER 32 HB2 SER 32 18.642 21.585 17.932 922 2HB SER 32 HB1 SER 32 17.758 20.176 18.516 923 HG SER 32 HG SER 32 19.528 19.540 19.436 924 H TYR 33 HN TYR 33 21.134 19.332 16.888 925 HA TYR 33 HA TYR 33 22.297 21.519 15.478 926 1HB TYR 33 HB2 TYR 33 23.467 20.337 17.291 927 2HB TYR 33 HB1 TYR 33 23.510 18.869 16.311 928 HD1 TYR 33 HD1 TYR 33 24.733 22.352 16.598 929 HD2 TYR 33 HD2 TYR 33 25.035 18.653 14.438 930 HE1 TYR 33 HE1 TYR 33 26.781 23.183 15.468 931 HE2 TYR 33 HE2 TYR 33 27.086 19.481 13.313 932 HH TYR 33 HH TYR 33 28.798 22.191 14.360 933 H TYR 34 HN TYR 34 21.421 18.215 14.637 934 HA TYR 34 HA TYR 34 22.835 18.008 12.209 935 1HB TYR 34 HB2 TYR 34 21.671 16.103 13.408 936 2HB TYR 34 HB1 TYR 34 20.147 16.739 12.820 937 HD1 TYR 34 HD2 TYR 34 19.827 16.961 10.280 938 HD2 TYR 34 HD1 TYR 34 23.039 14.716 12.053 939 HE1 TYR 34 HE2 TYR 34 20.182 15.778 8.134 940 HE2 TYR 34 HE1 TYR 34 23.395 13.543 9.896 941 HH TYR 34 HH TYR 34 22.965 13.896 7.522 942 H ARG 35 HN ARG 35 19.506 19.089 12.898 943 HA ARG 35 HA ARG 35 18.908 19.707 10.190 944 1HB ARG 35 HB2 ARG 35 17.575 20.257 12.824 945 2HB ARG 35 HB1 ARG 35 17.042 21.156 11.408 946 1HG ARG 35 HG2 ARG 35 15.624 19.230 11.531 947 2HG ARG 35 HG1 ARG 35 16.759 18.895 10.228 948 1HD ARG 35 HD2 ARG 35 18.157 17.607 11.825 949 2HD ARG 35 HD1 ARG 35 16.969 17.908 13.084 950 HE ARG 35 HE ARG 35 15.551 16.773 11.008 951 1HH1 ARG 35 HH21 ARG 35 18.306 15.953 12.933 952 2HH1 ARG 35 HH22 ARG 35 18.020 14.246 12.863 953 1HH2 ARG 35 HH11 ARG 35 15.161 14.539 10.922 954 2HH2 ARG 35 HH12 ARG 35 16.238 13.446 11.724 955 H SER 36 HN SER 36 20.499 21.393 12.753 956 HA SER 36 HA SER 36 20.182 24.034 11.731 957 1HB SER 36 HB2 SER 36 20.832 23.599 14.051 958 2HB SER 36 HB1 SER 36 22.349 22.893 13.503 959 HG SER 36 HG SER 36 21.440 25.552 13.087 960 H VAL 37 HN VAL 37 22.767 21.609 11.440 961 HA VAL 37 HA VAL 37 24.483 23.240 9.873 962 HB VAL 37 HB VAL 37 24.206 20.235 10.092 963 1HG1 VAL 37 HG11 VAL 37 25.272 20.555 7.964 964 2HG1 VAL 37 HG12 VAL 37 26.564 20.216 9.099 965 3HG1 VAL 37 HG13 VAL 37 26.262 21.865 8.595 966 1HG2 VAL 37 HG21 VAL 37 24.934 21.232 12.151 967 2HG2 VAL 37 HG22 VAL 37 26.096 22.264 11.312 968 3HG2 VAL 37 HG23 VAL 37 26.353 20.524 11.384 969 H VAL 38 HN VAL 38 22.623 20.404 8.750 970 HA VAL 38 HA VAL 38 22.878 20.716 6.043 971 HB VAL 38 HB VAL 38 20.724 19.571 5.782 972 1HG1 VAL 38 HG11 VAL 38 22.775 18.359 6.699 973 2HG1 VAL 38 HG12 VAL 38 21.231 17.598 7.049 974 3HG1 VAL 38 HG13 VAL 38 22.064 18.523 8.294 975 1HG2 VAL 38 HG21 VAL 38 19.291 20.754 7.289 976 2HG2 VAL 38 HG22 VAL 38 20.365 20.455 8.654 977 3HG2 VAL 38 HG23 VAL 38 19.420 19.131 7.965 978 H SER 39 HN SER 39 20.598 22.432 8.152 979 HA SER 39 HA SER 39 19.163 23.791 6.155 980 1HB SER 39 HB2 SER 39 18.275 23.852 8.359 981 2HB SER 39 HB1 SER 39 19.796 24.427 9.036 982 HG SER 39 HG SER 39 19.379 26.400 8.342 983 H THR 40 HN THR 40 22.112 24.679 7.934 984 HA THR 40 HA THR 40 22.408 27.220 6.670 985 HB THR 40 HB THR 40 24.560 25.532 7.974 986 HG1 THR 40 HG1 THR 40 22.505 26.110 9.153 987 1HG2 THR 40 HG21 THR 40 24.282 28.498 7.416 988 2HG2 THR 40 HG22 THR 40 25.472 27.395 6.725 989 3HG2 THR 40 HG23 THR 40 25.535 27.798 8.441 990 H LEU 41 HN LEU 41 23.902 24.045 6.136 991 HA LEU 41 HA LEU 41 25.623 24.785 4.027 992 1HB LEU 41 HB2 LEU 41 24.457 22.243 5.061 993 2HB LEU 41 HB1 LEU 41 25.195 22.186 3.463 994 HG LEU 41 HG LEU 41 26.765 21.608 5.319 995 1HD1 LEU 41 HD11 LEU 41 28.000 24.131 4.323 996 2HD1 LEU 41 HD12 LEU 41 27.353 23.079 3.068 997 3HD1 LEU 41 HD13 LEU 41 28.557 22.461 4.191 998 1HD2 LEU 41 HD21 LEU 41 25.657 23.336 6.904 999 2HD2 LEU 41 HD22 LEU 41 26.697 24.524 6.135 1000 3HD2 LEU 41 HD23 LEU 41 27.408 23.163 6.995 1001 H VAL 42 HN VAL 42 22.221 23.925 4.060 1002 HA VAL 42 HA VAL 42 22.077 23.934 1.136 1003 HB VAL 42 HB VAL 42 19.979 23.565 3.284 1004 1HG1 VAL 42 HG11 VAL 42 18.844 24.495 1.384 1005 2HG1 VAL 42 HG12 VAL 42 18.596 22.754 1.285 1006 3HG1 VAL 42 HG13 VAL 42 19.796 23.532 0.254 1007 1HG2 VAL 42 HG21 VAL 42 21.753 21.755 2.935 1008 2HG2 VAL 42 HG22 VAL 42 21.132 21.573 1.297 1009 3HG2 VAL 42 HG23 VAL 42 20.090 21.224 2.675 1010 H GLN 43 HN GLN 43 21.162 25.962 3.883 1011 HA GLN 43 HA GLN 43 19.734 27.892 2.305 1012 1HB GLN 43 HB2 GLN 43 19.264 27.581 4.692 1013 2HB GLN 43 HB1 GLN 43 20.891 28.132 5.092 1014 1HG GLN 43 HG2 GLN 43 20.436 30.333 4.232 1015 2HG GLN 43 HG1 GLN 43 18.903 29.807 3.541 1016 1HE2 GLN 43 HE21 GLN 43 19.041 31.980 5.392 1017 2HE2 GLN 43 HE22 GLN 43 18.266 31.510 6.828 1018 H ASP 44 HN ASP 44 23.038 27.239 2.804 1019 HA ASP 44 HA ASP 44 23.766 29.732 1.416 1020 1HB ASP 44 HB2 ASP 44 24.036 30.090 3.887 1021 2HB ASP 44 HB1 ASP 44 25.203 28.770 3.903 1022 H GLN 45 HN GLN 45 25.901 29.649 0.509 1023 HA GLN 45 HA GLN 45 27.269 28.566 -1.010 1024 1HB GLN 45 HB2 GLN 45 28.439 28.400 1.209 1025 2HB GLN 45 HB1 GLN 45 27.751 26.786 1.390 1026 1HG GLN 45 HG2 GLN 45 28.880 26.028 -0.622 1027 2HG GLN 45 HG1 GLN 45 29.466 27.652 -0.947 1028 1HE2 GLN 45 HE21 GLN 45 31.550 26.062 -0.832 1029 2HE2 GLN 45 HE22 GLN 45 32.313 26.039 0.683 1030 H LEU 46 HN LEU 46 25.042 27.796 -1.950 1031 HA LEU 46 HA LEU 46 24.919 24.838 -1.979 1032 1HB LEU 46 HB2 LEU 46 22.608 25.169 -2.888 1033 2HB LEU 46 HB1 LEU 46 22.833 25.694 -1.218 1034 HG LEU 46 HG LEU 46 23.442 27.762 -3.266 1035 1HD1 LEU 46 HD11 LEU 46 20.601 26.809 -2.833 1036 2HD1 LEU 46 HD12 LEU 46 21.493 26.823 -4.354 1037 3HD1 LEU 46 HD13 LEU 46 21.028 28.344 -3.590 1038 1HD2 LEU 46 HD21 LEU 46 23.429 28.210 -0.805 1039 2HD2 LEU 46 HD22 LEU 46 21.699 27.863 -0.779 1040 3HD2 LEU 46 HD23 LEU 46 22.308 29.245 -1.690 1041 H THR 47 HN THR 47 26.900 26.118 -3.457 1042 HA THR 47 HA THR 47 26.269 26.740 -6.084 1043 HB THR 47 HB THR 47 28.502 27.055 -5.088 1044 HG1 THR 47 HG1 THR 47 28.038 25.746 -7.470 1045 1HG2 THR 47 HG21 THR 47 28.461 24.792 -3.920 1046 2HG2 THR 47 HG22 THR 47 29.994 25.255 -4.647 1047 3HG2 THR 47 HG23 THR 47 28.950 24.094 -5.465 1048 H LYS 48 HN LYS 48 26.923 23.603 -4.614 1049 HA LYS 48 HA LYS 48 25.450 22.281 -6.799 1050 1HB LYS 48 HB2 LYS 48 27.919 22.330 -7.365 1051 2HB LYS 48 HB1 LYS 48 28.191 21.344 -5.934 1052 1HG LYS 48 HG2 LYS 48 27.997 19.688 -7.578 1053 2HG LYS 48 HG1 LYS 48 26.336 19.773 -7.008 1054 1HD LYS 48 HD2 LYS 48 25.858 21.400 -8.881 1055 2HD LYS 48 HD1 LYS 48 27.491 21.113 -9.471 1056 1HE LYS 48 HE2 LYS 48 27.000 18.738 -9.745 1057 2HE LYS 48 HE1 LYS 48 25.383 18.982 -9.078 1058 1HZ LYS 48 HZ1 LYS 48 26.465 20.220 -11.547 1059 2HZ LYS 48 HZ2 LYS 48 24.934 20.541 -10.883 1060 3HZ LYS 48 HZ3 LYS 48 25.300 18.989 -11.472 1061 H ASN 49 HN ASN 49 24.101 20.801 -5.962 1062 HA ASN 49 HA ASN 49 23.795 20.286 -3.267 1063 1HB ASN 49 HB2 ASN 49 22.631 18.162 -4.008 1064 2HB ASN 49 HB1 ASN 49 22.066 19.642 -4.766 1065 1HD2 ASN 49 HD21 ASN 49 21.377 18.648 -6.730 1066 2HD2 ASN 49 HD22 ASN 49 22.474 17.974 -7.836 1067 H ALA 50 HN ALA 50 26.294 19.167 -5.322 1068 HA ALA 50 HA ALA 50 26.881 16.696 -3.904 1069 1HB ALA 50 HB1 ALA 50 28.852 16.580 -5.278 1070 2HB ALA 50 HB2 ALA 50 28.736 18.291 -5.688 1071 3HB ALA 50 HB3 ALA 50 27.530 17.157 -6.293 1072 H VAL 51 HN VAL 51 28.600 19.829 -4.133 1073 HA VAL 51 HA VAL 51 30.614 19.417 -2.292 1074 HB VAL 51 HB VAL 51 30.567 21.868 -1.861 1075 1HG1 VAL 51 HG11 VAL 51 31.761 21.117 -3.796 1076 2HG1 VAL 51 HG12 VAL 51 30.816 22.520 -4.302 1077 3HG1 VAL 51 HG13 VAL 51 30.269 20.895 -4.714 1078 1HG2 VAL 51 HG21 VAL 51 28.707 23.182 -2.236 1079 2HG2 VAL 51 HG22 VAL 51 27.821 21.703 -2.412 1080 3HG2 VAL 51 HG23 VAL 51 28.435 22.478 -3.831 1081 H VAL 52 HN VAL 52 27.247 20.268 -1.651 1082 HA VAL 52 HA VAL 52 27.636 20.508 1.211 1083 HB VAL 52 HB VAL 52 25.105 20.649 1.267 1084 1HG1 VAL 52 HG11 VAL 52 24.968 22.804 0.164 1085 2HG1 VAL 52 HG12 VAL 52 26.342 22.429 -0.862 1086 3HG1 VAL 52 HG13 VAL 52 26.579 22.665 0.859 1087 1HG2 VAL 52 HG21 VAL 52 23.962 20.787 -0.926 1088 2HG2 VAL 52 HG22 VAL 52 24.661 19.191 -0.649 1089 3HG2 VAL 52 HG23 VAL 52 25.470 20.339 -1.711 1090 H LEU 53 HN LEU 53 26.560 18.040 -1.047 1091 HA LEU 53 HA LEU 53 25.428 16.248 0.772 1092 1HB LEU 53 HB2 LEU 53 25.248 15.985 -1.676 1093 2HB LEU 53 HB1 LEU 53 26.959 15.590 -1.755 1094 HG LEU 53 HG LEU 53 26.544 13.609 -0.322 1095 1HD1 LEU 53 HD11 LEU 53 23.725 14.697 -0.328 1096 2HD1 LEU 53 HD12 LEU 53 24.662 14.052 1.019 1097 3HD1 LEU 53 HD13 LEU 53 23.986 12.957 -0.181 1098 1HD2 LEU 53 HD21 LEU 53 24.869 13.860 -2.837 1099 2HD2 LEU 53 HD22 LEU 53 25.231 12.326 -2.043 1100 3HD2 LEU 53 HD23 LEU 53 26.538 13.300 -2.714 1101 H LYS 54 HN LYS 54 28.772 16.648 -0.293 1102 HA LYS 54 HA LYS 54 29.902 14.429 0.941 1103 1HB LYS 54 HB2 LYS 54 31.028 17.210 0.535 1104 2HB LYS 54 HB1 LYS 54 31.985 15.788 0.955 1105 1HG LYS 54 HG2 LYS 54 31.391 14.677 -1.100 1106 2HG LYS 54 HG1 LYS 54 30.211 15.927 -1.501 1107 1HD LYS 54 HD2 LYS 54 31.992 17.586 -1.676 1108 2HD LYS 54 HD1 LYS 54 33.194 16.375 -1.225 1109 1HE LYS 54 HE2 LYS 54 33.164 16.628 -3.663 1110 2HE LYS 54 HE1 LYS 54 32.547 15.034 -3.229 1111 1HZ LYS 54 HZ1 LYS 54 30.453 15.570 -3.851 1112 2HZ LYS 54 HZ2 LYS 54 31.277 16.641 -4.882 1113 3HZ LYS 54 HZ3 LYS 54 30.608 17.204 -3.425 1114 H ARG 55 HN ARG 55 29.263 17.681 2.218 1115 HA ARG 55 HA ARG 55 30.415 17.287 4.755 1116 1HB ARG 55 HB2 ARG 55 29.729 19.492 3.693 1117 2HB ARG 55 HB1 ARG 55 28.075 19.100 4.148 1118 1HG ARG 55 HG2 ARG 55 28.565 20.135 6.159 1119 2HG ARG 55 HG1 ARG 55 29.438 18.657 6.555 1120 1HD ARG 55 HD2 ARG 55 30.593 21.162 5.297 1121 2HD ARG 55 HD1 ARG 55 30.876 20.590 6.938 1122 HE ARG 55 HE ARG 55 31.653 18.521 5.252 1123 1HH1 ARG 55 HH21 ARG 55 32.447 21.839 5.825 1124 2HH1 ARG 55 HH22 ARG 55 34.106 21.666 5.361 1125 1HH2 ARG 55 HH11 ARG 55 33.832 18.284 4.652 1126 2HH2 ARG 55 HH12 ARG 55 34.892 19.653 4.696 1127 H ILE 56 HN ILE 56 27.092 16.888 3.575 1128 HA ILE 56 HA ILE 56 25.949 16.207 6.061 1129 HB ILE 56 HB ILE 56 25.100 15.367 3.278 1130 1HG1 ILE 56 HG12 ILE 56 24.150 17.675 4.993 1131 2HG1 ILE 56 HG11 ILE 56 25.314 17.847 3.703 1132 1HG2 ILE 56 HG21 ILE 56 23.630 15.380 5.937 1133 2HG2 ILE 56 HG22 ILE 56 23.981 13.978 4.925 1134 3HG2 ILE 56 HG23 ILE 56 22.831 15.188 4.378 1135 1HD1 ILE 56 HD11 ILE 56 23.150 18.403 2.814 1136 2HD1 ILE 56 HD12 ILE 56 22.460 16.915 3.461 1137 3HD1 ILE 56 HD13 ILE 56 23.623 16.846 2.144 1138 H GLN 57 HN GLN 57 27.070 14.122 3.397 1139 HA GLN 57 HA GLN 57 26.564 11.654 4.589 1140 1HB GLN 57 HB2 GLN 57 28.750 12.503 2.675 1141 2HB GLN 57 HB1 GLN 57 28.439 10.820 3.108 1142 1HG GLN 57 HG2 GLN 57 26.122 11.045 2.302 1143 2HG GLN 57 HG1 GLN 57 26.443 12.721 1.871 1144 1HE2 GLN 57 HE21 GLN 57 25.660 11.270 -0.262 1145 2HE2 GLN 57 HE22 GLN 57 26.970 10.822 -1.244 1146 H HIS 58 HN HIS 58 29.395 13.778 4.860 1147 HA HIS 58 HA HIS 58 30.881 11.963 6.522 1148 1HB HIS 58 HB2 HIS 58 31.211 14.929 5.977 1149 2HB HIS 58 HB1 HIS 58 32.350 13.955 6.907 1150 HD1 HIS 58 HD1 HIS 58 32.021 11.381 5.042 1151 HD2 HIS 58 HD2 HIS 58 32.961 15.232 3.753 1152 HE1 HIS 58 HE1 HIS 58 33.189 11.124 2.809 1153 HE2 HIS 58 HE2 HIS 58 33.768 13.463 2.011 1154 H LEU 59 HN LEU 59 28.776 14.743 7.062 1155 HA LEU 59 HA LEU 59 29.255 15.214 9.749 1156 1HB LEU 59 HB2 LEU 59 27.815 16.611 8.374 1157 2HB LEU 59 HB1 LEU 59 26.619 15.323 8.289 1158 HG LEU 59 HG LEU 59 27.414 16.033 11.084 1159 1HD1 LEU 59 HD11 LEU 59 25.858 18.019 9.419 1160 2HD1 LEU 59 HD12 LEU 59 27.476 18.274 10.082 1161 3HD1 LEU 59 HD13 LEU 59 26.094 18.098 11.167 1162 1HD2 LEU 59 HD21 LEU 59 25.021 15.900 11.483 1163 2HD2 LEU 59 HD22 LEU 59 25.484 14.540 10.462 1164 3HD2 LEU 59 HD23 LEU 59 24.684 15.940 9.751 1165 H ASP 60 HN ASP 60 27.601 12.560 8.246 1166 HA ASP 60 HA ASP 60 25.997 11.593 10.290 1167 1HB ASP 60 HB2 ASP 60 27.673 10.064 8.286 1168 2HB ASP 60 HB1 ASP 60 26.420 9.335 9.290 1169 H GLU 61 HN GLU 61 29.471 11.580 10.000 1170 HA GLU 61 HA GLU 61 30.050 9.591 11.947 1171 1HB GLU 61 HB2 GLU 61 32.299 10.319 11.785 1172 2HB GLU 61 HB1 GLU 61 31.616 10.603 10.187 1173 1HG GLU 61 HG2 GLU 61 31.118 13.022 11.067 1174 2HG GLU 61 HG1 GLU 61 32.258 12.633 12.347 1175 H ALA 62 HN ALA 62 29.354 13.024 12.133 1176 HA ALA 62 HA ALA 62 30.222 13.383 14.829 1177 1HB ALA 62 HB1 ALA 62 28.134 15.000 13.350 1178 2HB ALA 62 HB2 ALA 62 29.868 15.206 13.108 1179 3HB ALA 62 HB3 ALA 62 29.156 15.527 14.686 1180 H TYR 63 HN TYR 63 26.907 13.370 13.492 1181 HA TYR 63 HA TYR 63 25.489 13.251 15.833 1182 1HB TYR 63 HB2 TYR 63 23.886 13.283 14.200 1183 2HB TYR 63 HB1 TYR 63 24.987 12.570 13.028 1184 HD1 TYR 63 HD1 TYR 63 22.741 11.737 15.890 1185 HD2 TYR 63 HD2 TYR 63 24.774 10.258 12.412 1186 HE1 TYR 63 HE1 TYR 63 21.556 9.568 16.125 1187 HE2 TYR 63 HE2 TYR 63 23.598 8.088 12.646 1188 HH TYR 63 HH TYR 63 22.531 6.785 14.534 1189 H ASN 64 HN ASN 64 27.081 10.593 14.110 1190 HA ASN 64 HA ASN 64 26.055 8.471 15.665 1191 1HB ASN 64 HB2 ASN 64 27.109 8.104 13.479 1192 2HB ASN 64 HB1 ASN 64 28.658 8.647 14.117 1193 1HD2 ASN 64 HD21 ASN 64 26.111 6.187 14.841 1194 2HD2 ASN 64 HD22 ASN 64 27.208 4.996 15.352 1195 H LYS 65 HN LYS 65 28.873 10.550 15.973 1196 HA LYS 65 HA LYS 65 30.114 9.147 18.073 1197 1HB LYS 65 HB2 LYS 65 31.070 11.046 16.609 1198 2HB LYS 65 HB1 LYS 65 30.244 12.147 17.707 1199 1HG LYS 65 HG2 LYS 65 32.352 12.010 18.734 1200 2HG LYS 65 HG1 LYS 65 31.493 10.737 19.594 1201 1HD LYS 65 HD2 LYS 65 32.462 9.050 18.058 1202 2HD LYS 65 HD1 LYS 65 33.298 10.330 17.183 1203 1HE LYS 65 HE2 LYS 65 34.858 9.330 18.750 1204 2HE LYS 65 HE1 LYS 65 34.455 10.948 19.332 1205 1HZ LYS 65 HZ1 LYS 65 34.288 8.728 20.817 1206 2HZ LYS 65 HZ2 LYS 65 32.694 8.840 20.239 1207 3HZ LYS 65 HZ3 LYS 65 33.380 10.132 21.105 1208 H VAL 66 HN VAL 66 27.519 11.504 17.988 1209 HA VAL 66 HA VAL 66 27.547 12.178 20.714 1210 HB VAL 66 HB VAL 66 25.190 12.163 18.797 1211 1HG1 VAL 66 HG11 VAL 66 24.375 12.273 21.062 1212 2HG1 VAL 66 HG12 VAL 66 24.312 13.903 20.389 1213 3HG1 VAL 66 HG13 VAL 66 25.607 13.456 21.496 1214 1HG2 VAL 66 HG21 VAL 66 27.250 14.262 19.533 1215 2HG2 VAL 66 HG22 VAL 66 25.757 14.612 18.660 1216 3HG2 VAL 66 HG23 VAL 66 26.970 13.550 17.944 1217 H LYS 67 HN LYS 67 25.780 9.707 18.940 1218 HA LYS 67 HA LYS 67 24.414 8.662 21.213 1219 1HB LYS 67 HB2 LYS 67 25.024 7.437 18.551 1220 2HB LYS 67 HB1 LYS 67 23.830 6.864 19.712 1221 1HG LYS 67 HG2 LYS 67 23.547 9.773 19.110 1222 2HG LYS 67 HG1 LYS 67 23.332 8.768 17.712 1223 1HD LYS 67 HD2 LYS 67 21.883 8.219 20.310 1224 2HD LYS 67 HD1 LYS 67 21.239 9.355 19.124 1225 1HE LYS 67 HE2 LYS 67 21.114 7.588 17.430 1226 2HE LYS 67 HE1 LYS 67 21.863 6.435 18.528 1227 1HZ LYS 67 HZ1 LYS 67 19.993 6.386 19.878 1228 2HZ LYS 67 HZ2 LYS 67 19.330 6.442 18.315 1229 3HZ LYS 67 HZ3 LYS 67 19.378 7.846 19.271 1230 H ARG 68 HN ARG 68 27.286 7.709 19.414 1231 HA ARG 68 HA ARG 68 27.822 5.401 21.073 1232 1HB ARG 68 HB2 ARG 68 29.167 6.812 18.792 1233 2HB ARG 68 HB1 ARG 68 30.064 5.614 19.707 1234 1HG ARG 68 HG2 ARG 68 27.310 4.911 18.641 1235 2HG ARG 68 HG1 ARG 68 28.699 4.862 17.558 1236 1HD ARG 68 HD2 ARG 68 28.585 3.383 20.203 1237 2HD ARG 68 HD1 ARG 68 28.194 2.654 18.650 1238 HE ARG 68 HE ARG 68 30.843 3.349 19.625 1239 1HH1 ARG 68 HH21 ARG 68 28.811 2.732 16.893 1240 2HH1 ARG 68 HH22 ARG 68 30.115 2.262 15.853 1241 1HH2 ARG 68 HH11 ARG 68 32.557 2.716 18.272 1242 2HH2 ARG 68 HH12 ARG 68 32.237 2.254 16.635 1243 H GLY 69 HN GLY 69 28.374 8.743 21.313 1244 1HA GLY 69 HA2 GLY 69 30.742 8.475 23.055 1245 2HA GLY 69 HA1 GLY 69 30.052 9.975 22.445 1246 H GLU 70 HN GLU 70 27.372 9.605 23.136 1247 HA GLU 70 HA GLU 70 27.393 10.422 25.844 1248 1HB GLU 70 HB2 GLU 70 24.995 10.562 25.618 1249 2HB GLU 70 HB1 GLU 70 25.731 11.136 24.128 1250 1HG GLU 70 HG2 GLU 70 24.123 9.694 23.268 1251 2HG GLU 70 HG1 GLU 70 25.494 8.621 23.377 1252 H SER 71 HN SER 71 26.846 7.361 24.239 1253 HA SER 71 HA SER 71 25.714 6.006 26.492 1254 1HB SER 71 HB2 SER 71 26.394 3.934 25.158 1255 2HB SER 71 HB1 SER 71 25.280 5.041 24.357 1256 HG SER 71 HG SER 71 28.106 5.110 24.059 1257 H LYS 72 HN LYS 72 26.693 4.505 27.851 1258 HA LYS 72 HA LYS 72 28.333 3.963 29.377 1259 1HB LYS 72 HB2 LYS 72 30.031 3.671 26.884 1260 2HB LYS 72 HB1 LYS 72 30.204 2.800 28.408 1261 1HG LYS 72 HG2 LYS 72 27.828 2.605 26.531 1262 2HG LYS 72 HG1 LYS 72 29.105 1.403 26.691 1263 1HD LYS 72 HD2 LYS 72 28.463 1.291 29.190 1264 2HD LYS 72 HD1 LYS 72 27.009 2.181 28.743 1265 1HE LYS 72 HE2 LYS 72 26.463 -0.166 28.709 1266 2HE LYS 72 HE1 LYS 72 26.530 0.394 27.036 1267 1HZ LYS 72 HZ1 LYS 72 28.081 -1.109 26.646 1268 2HZ LYS 72 HZ2 LYS 72 28.046 -1.616 28.268 1269 3HZ LYS 72 HZ3 LYS 72 29.098 -0.372 27.786 1270 H LEU 73 HN LEU 73 31.033 4.248 29.431 1271 HA LEU 73 HA LEU 73 32.421 5.817 30.413 1272 1HB LEU 73 HB2 LEU 73 32.774 5.609 27.789 1273 2HB LEU 73 HB1 LEU 73 32.277 7.295 27.791 1274 HG LEU 73 HG LEU 73 34.553 6.102 29.402 1275 1HD1 LEU 73 HD11 LEU 73 35.970 7.480 27.876 1276 2HD1 LEU 73 HD12 LEU 73 34.525 7.911 26.961 1277 3HD1 LEU 73 HD13 LEU 73 35.069 6.235 27.012 1278 1HD2 LEU 73 HD21 LEU 73 35.095 8.559 29.819 1279 2HD2 LEU 73 HD22 LEU 73 33.664 7.956 30.648 1280 3HD2 LEU 73 HD23 LEU 73 33.489 8.935 29.192 1281 H GLU 74 HN GLU 74 30.579 6.569 31.809 1282 HA GLU 74 HA GLU 74 29.143 8.933 31.178 1283 1HB GLU 74 HB2 GLU 74 29.782 7.640 33.840 1284 2HB GLU 74 HB1 GLU 74 28.618 8.946 33.610 1285 1HG GLU 74 HG2 GLU 74 28.466 6.292 32.144 1286 2HG GLU 74 HG1 GLU 74 27.582 6.629 33.627 1287 H HIS 75 HN HIS 75 31.995 8.345 33.218 1288 HA HIS 75 HA HIS 75 33.240 10.781 32.465 1289 1HB HIS 75 HB2 HIS 75 31.480 11.763 33.883 1290 2HB HIS 75 HB1 HIS 75 31.984 10.731 35.219 1291 HD1 HIS 75 HD1 HIS 75 33.419 13.441 32.959 1292 HD2 HIS 75 HD2 HIS 75 34.047 11.791 36.735 1293 HE1 HIS 75 HE1 HIS 75 35.196 14.861 34.074 1294 HE2 HIS 75 HE2 HIS 75 35.590 13.867 36.378 1295 H HIS 76 HN HIS 76 35.365 10.859 33.152 1296 HA HIS 76 HA HIS 76 36.333 9.145 35.291 1297 1HB HIS 76 HB2 HIS 76 37.017 8.564 32.397 1298 2HB HIS 76 HB1 HIS 76 37.936 7.937 33.765 1299 HD1 HIS 76 HD1 HIS 76 34.951 7.285 31.740 1300 HD2 HIS 76 HD2 HIS 76 36.291 6.236 35.543 1301 HE1 HIS 76 HE1 HIS 76 33.515 5.340 32.493 1302 HE2 HIS 76 HE2 HIS 76 34.323 4.686 34.809 1303 H HIS 77 HN HIS 77 37.517 10.614 36.312 1304 HA HIS 77 HA HIS 77 39.842 11.751 34.996 1305 1HB HIS 77 HB2 HIS 77 38.018 13.375 34.453 1306 2HB HIS 77 HB1 HIS 77 37.764 13.610 36.183 1307 HD1 HIS 77 HD1 HIS 77 39.628 14.851 37.515 1308 HD2 HIS 77 HD2 HIS 77 40.396 14.554 33.428 1309 HE1 HIS 77 HE1 HIS 77 41.554 16.423 37.032 1310 HE2 HIS 77 HE2 HIS 77 42.034 16.253 34.544 1311 H HIS 78 HN HIS 78 41.426 12.383 36.432 1312 HA HIS 78 HA HIS 78 41.313 11.209 39.036 1313 1HB HIS 78 HB2 HIS 78 43.332 13.096 37.796 1314 2HB HIS 78 HB1 HIS 78 43.556 12.236 39.319 1315 HD1 HIS 78 HD1 HIS 78 43.560 11.755 35.621 1316 HD2 HIS 78 HD2 HIS 78 43.881 9.385 39.036 1317 HE1 HIS 78 HE1 HIS 78 44.367 9.484 34.843 1318 HE2 HIS 78 HE2 HIS 78 44.568 8.028 36.914 1319 H HIS 79 HN HIS 79 40.952 12.113 40.994 1320 HA HIS 79 HA HIS 79 39.568 14.614 41.131 1321 1HB HIS 79 HB2 HIS 79 40.670 12.840 43.323 1322 2HB HIS 79 HB1 HIS 79 39.584 14.208 43.574 1323 HD1 HIS 79 HD1 HIS 79 37.233 14.014 42.145 1324 HD2 HIS 79 HD2 HIS 79 39.327 10.473 42.822 1325 HE1 HIS 79 HE1 HIS 79 35.591 12.125 41.754 1326 HE2 HIS 79 HE2 HIS 79 36.853 9.960 42.163 1327 H HIS 80 HN HIS 80 40.200 16.462 42.398 1328 HA HIS 80 HA HIS 80 42.662 17.556 41.734 1329 1HB HIS 80 HB2 HIS 80 41.001 18.236 44.170 1330 2HB HIS 80 HB1 HIS 80 42.186 19.277 43.383 1331 HD1 HIS 80 HD1 HIS 80 41.604 19.905 40.798 1332 HD2 HIS 80 HD2 HIS 80 38.455 18.408 43.083 1333 HE1 HIS 80 HE1 HIS 80 39.475 20.496 39.560 1334 HE2 HIS 80 HE2 HIS 80 37.546 19.590 40.940 Start of MODEL 18 1 1H MET 1 HT1 MET 1 3.664 4.139 -5.800 2 2H MET 1 HT2 MET 1 4.512 2.983 -6.710 3 3H MET 1 HT3 MET 1 4.044 2.636 -5.115 4 HA MET 1 HA MET 1 2.039 3.266 -7.189 5 1HB MET 1 HB2 MET 1 1.805 0.727 -7.380 6 2HB MET 1 HB1 MET 1 3.238 1.417 -8.142 7 1HG MET 1 HG2 MET 1 4.615 0.813 -6.236 8 2HG MET 1 HG1 MET 1 3.200 0.260 -5.341 9 1HE MET 1 HE1 MET 1 5.881 -1.430 -5.896 10 2HE MET 1 HE2 MET 1 5.132 -3.013 -6.091 11 3HE MET 1 HE3 MET 1 4.517 -1.897 -4.872 12 H SER 2 HN SER 2 -0.039 2.823 -6.463 13 HA SER 2 HA SER 2 -1.703 2.759 -4.871 14 1HB SER 2 HB2 SER 2 -1.797 0.748 -3.585 15 2HB SER 2 HB1 SER 2 -0.978 0.326 -5.087 16 HG SER 2 HG SER 2 0.791 1.230 -3.280 17 H GLU 3 HN GLU 3 -1.530 4.690 -3.804 18 HA GLU 3 HA GLU 3 -1.076 6.149 -2.092 19 1HB GLU 3 HB2 GLU 3 -1.869 3.783 -0.927 20 2HB GLU 3 HB1 GLU 3 -0.301 4.011 -0.159 21 1HG GLU 3 HG2 GLU 3 -1.015 6.332 0.476 22 2HG GLU 3 HG1 GLU 3 -2.604 5.984 -0.196 23 H LEU 4 HN LEU 4 0.668 6.200 -0.054 24 HA LEU 4 HA LEU 4 2.826 6.595 0.492 25 1HB LEU 4 HB2 LEU 4 3.195 4.211 -0.125 26 2HB LEU 4 HB1 LEU 4 3.497 4.704 -1.785 27 HG LEU 4 HG LEU 4 5.354 6.145 -0.978 28 1HD1 LEU 4 HD11 LEU 4 5.006 6.593 1.293 29 2HD1 LEU 4 HD12 LEU 4 6.237 5.338 1.382 30 3HD1 LEU 4 HD13 LEU 4 4.541 4.934 1.664 31 1HD2 LEU 4 HD21 LEU 4 5.513 3.187 -0.349 32 2HD2 LEU 4 HD22 LEU 4 6.909 4.242 -0.560 33 3HD2 LEU 4 HD23 LEU 4 5.818 3.944 -1.914 34 H PHE 5 HN PHE 5 2.121 6.623 -2.962 35 HA PHE 5 HA PHE 5 4.187 8.321 -3.795 36 1HB PHE 5 HB2 PHE 5 2.715 7.032 -5.310 37 2HB PHE 5 HB1 PHE 5 1.384 8.120 -4.910 38 HD1 PHE 5 HD2 PHE 5 4.758 7.925 -6.459 39 HD2 PHE 5 HD1 PHE 5 1.244 10.322 -5.866 40 HE1 PHE 5 HE2 PHE 5 5.565 9.530 -8.168 41 HE2 PHE 5 HE1 PHE 5 2.052 11.929 -7.574 42 HZ PHE 5 HZ PHE 5 4.212 11.533 -8.725 43 H SER 6 HN SER 6 0.914 9.042 -2.632 44 HA SER 6 HA SER 6 1.100 11.842 -2.988 45 1HB SER 6 HB2 SER 6 -0.597 10.459 -0.898 46 2HB SER 6 HB1 SER 6 -0.919 11.976 -1.731 47 HG SER 6 HG SER 6 -2.079 10.136 -2.556 48 H VAL 7 HN VAL 7 2.205 13.308 -1.892 49 HA VAL 7 HA VAL 7 4.014 12.748 0.141 50 HB VAL 7 HB VAL 7 2.862 15.494 0.280 51 1HG1 VAL 7 HG11 VAL 7 5.608 14.562 -0.510 52 2HG1 VAL 7 HG12 VAL 7 5.072 14.773 1.156 53 3HG1 VAL 7 HG13 VAL 7 5.132 16.158 0.065 54 1HG2 VAL 7 HG21 VAL 7 3.751 16.075 -2.027 55 2HG2 VAL 7 HG22 VAL 7 2.265 15.123 -2.029 56 3HG2 VAL 7 HG23 VAL 7 3.813 14.344 -2.360 57 HA PRO 8 HA PRO 8 0.477 14.545 3.179 58 1HB PRO 8 HB2 PRO 8 -1.655 12.885 1.848 59 2HB PRO 8 HB1 PRO 8 -1.805 14.446 2.677 60 1HG PRO 8 HG2 PRO 8 -1.787 14.186 -0.040 61 2HG PRO 8 HG1 PRO 8 -1.223 15.640 0.802 62 1HD PRO 8 HD2 PRO 8 0.333 13.647 -0.668 63 2HD PRO 8 HD1 PRO 8 0.822 15.251 -0.122 64 H TYR 9 HN TYR 9 0.854 11.407 1.662 65 HA TYR 9 HA TYR 9 -0.049 9.758 3.750 66 1HB TYR 9 HB2 TYR 9 0.433 8.934 1.473 67 2HB TYR 9 HB1 TYR 9 2.154 9.228 1.737 68 HD1 TYR 9 HD1 TYR 9 -0.770 7.249 2.898 69 HD2 TYR 9 HD2 TYR 9 3.498 7.712 3.025 70 HE1 TYR 9 HE1 TYR 9 -0.563 5.039 4.003 71 HE2 TYR 9 HE2 TYR 9 3.705 5.502 4.131 72 HH TYR 9 HH TYR 9 2.472 3.924 5.323 73 H PHE 10 HN PHE 10 3.078 11.265 3.124 74 HA PHE 10 HA PHE 10 4.575 9.973 5.112 75 1HB PHE 10 HB2 PHE 10 4.816 12.475 3.525 76 2HB PHE 10 HB1 PHE 10 5.703 12.496 5.042 77 HD1 PHE 10 HD1 PHE 10 4.978 9.616 2.761 78 HD2 PHE 10 HD2 PHE 10 7.962 12.242 4.381 79 HE1 PHE 10 HE1 PHE 10 6.759 8.223 1.742 80 HE2 PHE 10 HE2 PHE 10 9.743 10.852 3.365 81 HZ PHE 10 HZ PHE 10 9.147 8.842 2.058 82 H ILE 11 HN ILE 11 2.666 12.972 5.271 83 HA ILE 11 HA ILE 11 3.263 13.513 7.978 84 HB ILE 11 HB ILE 11 0.818 14.338 6.407 85 1HG1 ILE 11 HG12 ILE 11 3.515 15.709 6.714 86 2HG1 ILE 11 HG11 ILE 11 2.973 14.884 5.257 87 1HG2 ILE 11 HG21 ILE 11 0.806 16.237 7.990 88 2HG2 ILE 11 HG22 ILE 11 2.219 15.570 8.806 89 3HG2 ILE 11 HG23 ILE 11 0.682 14.713 8.861 90 1HD1 ILE 11 HD11 ILE 11 0.978 16.424 5.212 91 2HD1 ILE 11 HD12 ILE 11 2.523 17.236 4.965 92 3HD1 ILE 11 HD13 ILE 11 1.721 17.326 6.533 93 H GLU 12 HN GLU 12 0.507 11.922 6.413 94 HA GLU 12 HA GLU 12 -1.107 11.439 8.605 95 1HB GLU 12 HB2 GLU 12 -0.575 9.783 6.129 96 2HB GLU 12 HB1 GLU 12 -1.796 9.318 7.312 97 1HG GLU 12 HG2 GLU 12 -2.974 11.420 6.987 98 2HG GLU 12 HG1 GLU 12 -1.715 12.003 5.906 99 H ASN 13 HN ASN 13 1.899 9.890 7.723 100 HA ASN 13 HA ASN 13 1.628 7.632 9.463 101 1HB ASN 13 HB2 ASN 13 4.150 8.880 8.349 102 2HB ASN 13 HB1 ASN 13 3.974 7.251 8.999 103 1HD2 ASN 13 HD21 ASN 13 4.573 8.353 6.147 104 2HD2 ASN 13 HD22 ASN 13 3.477 7.504 5.166 105 H LEU 14 HN LEU 14 3.019 10.860 9.742 106 HA LEU 14 HA LEU 14 4.299 10.480 12.254 107 1HB LEU 14 HB2 LEU 14 3.262 13.143 11.241 108 2HB LEU 14 HB1 LEU 14 4.689 12.820 12.225 109 HG LEU 14 HG LEU 14 4.317 11.985 9.350 110 1HD1 LEU 14 HD11 LEU 14 6.236 14.012 10.455 111 2HD1 LEU 14 HD12 LEU 14 4.661 14.446 9.781 112 3HD1 LEU 14 HD13 LEU 14 5.878 13.676 8.767 113 1HD2 LEU 14 HD21 LEU 14 6.612 11.628 11.276 114 2HD2 LEU 14 HD22 LEU 14 6.770 11.459 9.528 115 3HD2 LEU 14 HD23 LEU 14 5.717 10.369 10.421 116 H LYS 15 HN LYS 15 1.065 11.450 11.287 117 HA LYS 15 HA LYS 15 0.089 12.498 13.655 118 1HB LYS 15 HB2 LYS 15 -1.316 10.697 11.680 119 2HB LYS 15 HB1 LYS 15 -2.122 11.683 12.900 120 1HG LYS 15 HG2 LYS 15 -0.270 12.826 10.789 121 2HG LYS 15 HG1 LYS 15 -2.019 12.724 10.591 122 1HD LYS 15 HD2 LYS 15 -2.142 14.025 12.861 123 2HD LYS 15 HD1 LYS 15 -0.445 14.401 12.571 124 1HE LYS 15 HE2 LYS 15 -1.791 16.197 11.700 125 2HE LYS 15 HE1 LYS 15 -1.077 15.319 10.348 126 1HZ LYS 15 HZ1 LYS 15 -3.697 14.461 11.330 127 2HZ LYS 15 HZ2 LYS 15 -3.062 14.414 9.755 128 3HZ LYS 15 HZ3 LYS 15 -3.619 15.880 10.405 129 H GLN 16 HN GLN 16 0.418 9.103 12.701 130 HA GLN 16 HA GLN 16 -0.806 8.053 15.036 131 1HB GLN 16 HB2 GLN 16 -0.597 6.735 13.001 132 2HB GLN 16 HB1 GLN 16 1.161 6.789 13.125 133 1HG GLN 16 HG2 GLN 16 1.146 5.499 15.162 134 2HG GLN 16 HG1 GLN 16 -0.603 5.637 15.311 135 1HE2 GLN 16 HE21 GLN 16 0.631 3.083 15.262 136 2HE2 GLN 16 HE22 GLN 16 0.216 2.304 13.813 137 H HIS 17 HN HIS 17 2.502 8.917 14.191 138 HA HIS 17 HA HIS 17 3.830 7.695 16.339 139 1HB HIS 17 HB2 HIS 17 4.480 10.219 14.802 140 2HB HIS 17 HB1 HIS 17 5.575 9.479 15.950 141 HD1 HIS 17 HD1 HIS 17 4.279 6.558 14.842 142 HD2 HIS 17 HD2 HIS 17 6.499 9.437 12.802 143 HE1 HIS 17 HE1 HIS 17 5.322 5.383 12.856 144 HE2 HIS 17 HE2 HIS 17 6.679 7.125 11.602 145 H ILE 18 HN ILE 18 2.518 10.992 16.056 146 HA ILE 18 HA ILE 18 3.147 11.685 18.769 147 HB ILE 18 HB ILE 18 1.761 13.688 18.313 148 1HG1 ILE 18 HG12 ILE 18 1.271 12.323 15.654 149 2HG1 ILE 18 HG11 ILE 18 0.048 12.613 16.884 150 1HG2 ILE 18 HG21 ILE 18 3.600 12.976 16.004 151 2HG2 ILE 18 HG22 ILE 18 4.152 13.514 17.587 152 3HG2 ILE 18 HG23 ILE 18 3.211 14.599 16.574 153 1HD1 ILE 18 HD11 ILE 18 0.585 15.070 16.707 154 2HD1 ILE 18 HD12 ILE 18 -0.185 14.359 15.283 155 3HD1 ILE 18 HD13 ILE 18 1.550 14.677 15.283 156 H GLU 19 HN GLU 19 0.237 10.607 17.067 157 HA GLU 19 HA GLU 19 -1.634 10.963 19.092 158 1HB GLU 19 HB2 GLU 19 -2.125 10.230 16.732 159 2HB GLU 19 HB1 GLU 19 -1.561 8.621 17.175 160 1HG GLU 19 HG2 GLU 19 -3.952 8.615 17.384 161 2HG GLU 19 HG1 GLU 19 -3.300 8.630 19.020 162 H MET 20 HN MET 20 0.258 8.026 18.366 163 HA MET 20 HA MET 20 -0.079 7.171 21.191 164 1HB MET 20 HB2 MET 20 0.061 4.829 20.306 165 2HB MET 20 HB1 MET 20 -1.362 5.707 19.760 166 1HG MET 20 HG2 MET 20 -0.393 6.148 17.619 167 2HG MET 20 HG1 MET 20 1.182 5.549 18.116 168 1HE MET 20 HE1 MET 20 -2.600 4.193 18.436 169 2HE MET 20 HE2 MET 20 -2.564 3.241 16.957 170 3HE MET 20 HE3 MET 20 -2.255 4.971 16.885 171 H ASN 21 HN ASN 21 1.737 4.880 20.098 172 HA ASN 21 HA ASN 21 4.309 6.185 19.785 173 1HB ASN 21 HB2 ASN 21 3.623 4.721 22.351 174 2HB ASN 21 HB1 ASN 21 5.249 5.202 21.868 175 1HD2 ASN 21 HD21 ASN 21 2.568 6.230 23.652 176 2HD2 ASN 21 HD22 ASN 21 2.915 7.892 23.691 177 H GLN 22 HN GLN 22 3.207 4.533 18.013 178 HA GLN 22 HA GLN 22 3.497 1.784 18.342 179 1HB GLN 22 HB2 GLN 22 2.452 2.938 16.364 180 2HB GLN 22 HB1 GLN 22 4.076 3.327 15.801 181 1HG GLN 22 HG2 GLN 22 3.376 1.314 14.665 182 2HG GLN 22 HG1 GLN 22 4.597 0.850 15.846 183 1HE2 GLN 22 HE21 GLN 22 3.893 -1.232 16.466 184 2HE2 GLN 22 HE22 GLN 22 2.347 -1.558 17.086 185 H SER 23 HN SER 23 5.872 4.179 17.222 186 HA SER 23 HA SER 23 8.077 2.839 18.380 187 1HB SER 23 HB2 SER 23 9.201 2.121 16.252 188 2HB SER 23 HB1 SER 23 7.782 1.163 16.652 189 HG SER 23 HG SER 23 6.679 2.102 15.055 190 H GLU 24 HN GLU 24 7.530 5.363 18.689 191 HA GLU 24 HA GLU 24 9.753 6.721 17.485 192 1HB GLU 24 HB2 GLU 24 7.715 6.775 15.785 193 2HB GLU 24 HB1 GLU 24 7.112 8.031 16.857 194 1HG GLU 24 HG2 GLU 24 8.388 9.206 15.207 195 2HG GLU 24 HG1 GLU 24 9.435 9.135 16.626 196 H ASP 25 HN ASP 25 8.093 9.295 17.867 197 HA ASP 25 HA ASP 25 7.747 9.346 20.781 198 1HB ASP 25 HB2 ASP 25 9.721 11.096 19.303 199 2HB ASP 25 HB1 ASP 25 9.250 11.296 20.989 200 H LYS 26 HN LYS 26 7.589 12.044 21.125 201 HA LYS 26 HA LYS 26 5.046 12.631 19.831 202 1HB LYS 26 HB2 LYS 26 5.510 13.052 22.274 203 2HB LYS 26 HB1 LYS 26 6.605 14.344 21.793 204 1HG LYS 26 HG2 LYS 26 4.772 15.509 20.636 205 2HG LYS 26 HG1 LYS 26 3.673 14.178 21.005 206 1HD LYS 26 HD2 LYS 26 3.956 14.599 23.414 207 2HD LYS 26 HD1 LYS 26 5.085 15.909 23.064 208 1HE LYS 26 HE2 LYS 26 2.709 16.655 23.530 209 2HE LYS 26 HE1 LYS 26 3.371 17.206 21.993 210 1HZ LYS 26 HZ1 LYS 26 2.074 15.760 20.806 211 2HZ LYS 26 HZ2 LYS 26 1.029 16.105 22.100 212 3HZ LYS 26 HZ3 LYS 26 1.918 14.658 22.085 213 H ILE 27 HN ILE 27 6.907 15.400 20.522 214 HA ILE 27 HA ILE 27 6.641 16.439 17.909 215 HB ILE 27 HB ILE 27 6.838 17.800 19.959 216 1HG1 ILE 27 HG12 ILE 27 9.134 18.462 18.084 217 2HG1 ILE 27 HG11 ILE 27 7.457 18.603 17.558 218 1HG2 ILE 27 HG21 ILE 27 8.919 18.058 21.112 219 2HG2 ILE 27 HG22 ILE 27 9.808 17.190 19.863 220 3HG2 ILE 27 HG23 ILE 27 8.709 16.317 20.930 221 1HD1 ILE 27 HD11 ILE 27 8.747 20.648 18.671 222 2HD1 ILE 27 HD12 ILE 27 8.176 19.894 20.158 223 3HD1 ILE 27 HD13 ILE 27 7.024 20.388 18.912 224 H HIS 28 HN HIS 28 9.359 14.934 19.630 225 HA HIS 28 HA HIS 28 11.348 15.391 17.730 226 1HB HIS 28 HB2 HIS 28 10.929 13.063 19.608 227 2HB HIS 28 HB1 HIS 28 12.402 13.295 18.671 228 HD1 HIS 28 HD1 HIS 28 13.555 15.768 19.070 229 HD2 HIS 28 HD2 HIS 28 10.945 14.403 22.020 230 HE1 HIS 28 HE1 HIS 28 14.039 17.137 21.144 231 HE2 HIS 28 HE2 HIS 28 12.456 16.317 22.953 232 H ALA 29 HN ALA 29 8.511 13.601 17.405 233 HA ALA 29 HA ALA 29 9.144 11.410 15.843 234 1HB ALA 29 HB1 ALA 29 6.861 11.845 16.501 235 2HB ALA 29 HB2 ALA 29 6.922 11.779 14.740 236 3HB ALA 29 HB3 ALA 29 6.830 13.337 15.563 237 H MET 30 HN MET 30 8.816 14.800 14.830 238 HA MET 30 HA MET 30 9.243 14.325 12.060 239 1HB MET 30 HB2 MET 30 10.048 16.871 12.248 240 2HB MET 30 HB1 MET 30 8.350 16.453 12.434 241 1HG MET 30 HG2 MET 30 8.360 16.803 14.726 242 2HG MET 30 HG1 MET 30 10.057 16.382 14.901 243 1HE MET 30 HE1 MET 30 12.041 19.418 14.326 244 2HE MET 30 HE2 MET 30 11.902 17.830 13.577 245 3HE MET 30 HE3 MET 30 11.805 17.983 15.329 246 H ASN 31 HN ASN 31 11.474 15.547 14.593 247 HA ASN 31 HA ASN 31 13.768 15.721 13.060 248 1HB ASN 31 HB2 ASN 31 13.635 16.468 15.399 249 2HB ASN 31 HB1 ASN 31 13.552 14.791 15.928 250 1HD2 ASN 31 HD21 ASN 31 15.707 17.333 15.436 251 2HD2 ASN 31 HD22 ASN 31 17.141 16.430 15.321 252 H SER 32 HN SER 32 12.574 12.881 14.854 253 HA SER 32 HA SER 32 14.673 11.152 14.002 254 1HB SER 32 HB2 SER 32 13.350 10.640 15.977 255 2HB SER 32 HB1 SER 32 11.883 10.558 15.006 256 HG SER 32 HG SER 32 13.757 8.982 13.929 257 H TYR 33 HN TYR 33 11.252 11.395 12.973 258 HA TYR 33 HA TYR 33 11.425 9.544 10.866 259 1HB TYR 33 HB2 TYR 33 9.274 10.286 11.748 260 2HB TYR 33 HB1 TYR 33 9.586 11.928 11.188 261 HD1 TYR 33 HD1 TYR 33 9.706 12.440 8.773 262 HD2 TYR 33 HD2 TYR 33 8.567 8.556 10.208 263 HE1 TYR 33 HE1 TYR 33 8.788 11.882 6.537 264 HE2 TYR 33 HE2 TYR 33 7.640 8.000 7.974 265 HH TYR 33 HH TYR 33 6.926 10.205 5.679 266 H TYR 34 HN TYR 34 11.674 13.093 10.839 267 HA TYR 34 HA TYR 34 12.027 13.537 8.127 268 1HB TYR 34 HB2 TYR 34 11.811 15.339 9.829 269 2HB TYR 34 HB1 TYR 34 13.445 14.978 10.388 270 HD1 TYR 34 HD2 TYR 34 11.413 16.352 7.640 271 HD2 TYR 34 HD1 TYR 34 15.398 15.561 9.033 272 HE1 TYR 34 HE2 TYR 34 12.329 17.797 5.843 273 HE2 TYR 34 HE1 TYR 34 16.314 17.011 7.241 274 HH TYR 34 HH TYR 34 15.587 18.839 5.805 275 H ARG 35 HN ARG 35 14.456 12.655 10.575 276 HA ARG 35 HA ARG 35 16.610 12.659 8.670 277 1HB ARG 35 HB2 ARG 35 16.868 13.093 11.132 278 2HB ARG 35 HB1 ARG 35 16.593 11.372 11.401 279 1HG ARG 35 HG2 ARG 35 18.512 10.889 9.837 280 2HG ARG 35 HG1 ARG 35 18.823 12.624 9.760 281 1HD ARG 35 HD2 ARG 35 18.819 10.959 12.285 282 2HD ARG 35 HD1 ARG 35 20.259 11.511 11.434 283 HE ARG 35 HE ARG 35 18.612 13.074 13.193 284 1HH1 ARG 35 HH21 ARG 35 20.606 13.150 10.366 285 2HH1 ARG 35 HH22 ARG 35 21.045 14.816 10.552 286 1HH2 ARG 35 HH11 ARG 35 19.186 15.256 13.445 287 2HH2 ARG 35 HH12 ARG 35 20.236 16.007 12.293 288 H SER 36 HN SER 36 14.276 10.367 9.832 289 HA SER 36 HA SER 36 15.634 7.966 9.185 290 1HB SER 36 HB2 SER 36 12.658 8.471 9.208 291 2HB SER 36 HB1 SER 36 13.445 6.903 9.293 292 HG SER 36 HG SER 36 13.448 7.253 11.364 293 H VAL 37 HN VAL 37 13.313 9.939 7.363 294 HA VAL 37 HA VAL 37 13.462 8.260 5.021 295 HB VAL 37 HB VAL 37 12.096 9.998 3.967 296 1HG1 VAL 37 HG11 VAL 37 10.180 9.833 5.426 297 2HG1 VAL 37 HG12 VAL 37 11.208 9.531 6.825 298 3HG1 VAL 37 HG13 VAL 37 11.085 8.327 5.540 299 1HG2 VAL 37 HG21 VAL 37 13.074 12.018 4.815 300 2HG2 VAL 37 HG22 VAL 37 12.747 11.550 6.482 301 3HG2 VAL 37 HG23 VAL 37 11.414 11.978 5.406 302 H VAL 38 HN VAL 38 14.775 11.422 5.966 303 HA VAL 38 HA VAL 38 15.957 12.239 3.631 304 HB VAL 38 HB VAL 38 16.925 12.413 6.465 305 1HG1 VAL 38 HG11 VAL 38 18.471 14.282 5.536 306 2HG1 VAL 38 HG12 VAL 38 18.244 13.500 3.972 307 3HG1 VAL 38 HG13 VAL 38 18.989 12.611 5.298 308 1HG2 VAL 38 HG21 VAL 38 15.908 14.502 6.521 309 2HG2 VAL 38 HG22 VAL 38 14.844 13.725 5.352 310 3HG2 VAL 38 HG23 VAL 38 16.134 14.785 4.807 311 H SER 39 HN SER 39 17.250 9.884 5.955 312 HA SER 39 HA SER 39 19.728 9.458 4.733 313 1HB SER 39 HB2 SER 39 19.694 7.283 5.895 314 2HB SER 39 HB1 SER 39 19.191 8.601 6.949 315 HG SER 39 HG SER 39 17.814 6.720 7.010 316 H THR 40 HN THR 40 16.543 8.148 4.039 317 HA THR 40 HA THR 40 17.566 6.310 2.020 318 HB THR 40 HB THR 40 14.721 7.007 2.807 319 HG1 THR 40 HG1 THR 40 16.422 4.820 3.426 320 1HG2 THR 40 HG21 THR 40 14.294 4.779 1.627 321 2HG2 THR 40 HG22 THR 40 15.914 4.931 0.946 322 3HG2 THR 40 HG23 THR 40 14.684 6.140 0.575 323 H LEU 41 HN LEU 41 15.623 9.276 2.148 324 HA LEU 41 HA LEU 41 15.200 9.486 -0.644 325 1HB LEU 41 HB2 LEU 41 14.977 11.314 1.707 326 2HB LEU 41 HB1 LEU 41 14.997 12.079 0.124 327 HG LEU 41 HG LEU 41 12.703 11.561 0.939 328 1HD1 LEU 41 HD11 LEU 41 12.928 9.688 -1.370 329 2HD1 LEU 41 HD12 LEU 41 13.696 11.250 -1.625 330 3HD1 LEU 41 HD13 LEU 41 11.986 11.169 -1.205 331 1HD2 LEU 41 HD21 LEU 41 13.387 8.630 0.550 332 2HD2 LEU 41 HD22 LEU 41 11.937 9.321 1.276 333 3HD2 LEU 41 HD23 LEU 41 13.472 9.404 2.127 334 H VAL 42 HN VAL 42 17.680 10.893 1.456 335 HA VAL 42 HA VAL 42 18.962 12.301 -0.646 336 HB VAL 42 HB VAL 42 19.148 12.602 1.922 337 1HG1 VAL 42 HG11 VAL 42 20.795 11.346 3.103 338 2HG1 VAL 42 HG12 VAL 42 21.530 10.744 1.617 339 3HG1 VAL 42 HG13 VAL 42 19.973 10.117 2.138 340 1HG2 VAL 42 HG21 VAL 42 20.432 13.891 0.183 341 2HG2 VAL 42 HG22 VAL 42 21.695 12.663 0.270 342 3HG2 VAL 42 HG23 VAL 42 21.337 13.655 1.681 343 H GLN 43 HN GLN 43 18.535 9.107 -0.393 344 HA GLN 43 HA GLN 43 21.105 8.469 -1.724 345 1HB GLN 43 HB2 GLN 43 21.072 7.566 0.589 346 2HB GLN 43 HB1 GLN 43 19.593 6.684 0.202 347 1HG GLN 43 HG2 GLN 43 20.733 5.392 -1.502 348 2HG GLN 43 HG1 GLN 43 22.188 6.372 -1.341 349 1HE2 GLN 43 HE21 GLN 43 22.197 3.518 -0.965 350 2HE2 GLN 43 HE22 GLN 43 22.562 3.212 0.664 351 H ASP 44 HN ASP 44 17.662 8.184 -1.582 352 HA ASP 44 HA ASP 44 17.253 6.002 -3.262 353 1HB ASP 44 HB2 ASP 44 15.504 7.341 -1.961 354 2HB ASP 44 HB1 ASP 44 15.555 8.510 -3.276 355 H GLN 45 HN GLN 45 17.829 5.674 -5.296 356 HA GLN 45 HA GLN 45 18.920 6.179 -7.324 357 1HB GLN 45 HB2 GLN 45 17.230 7.516 -8.782 358 2HB GLN 45 HB1 GLN 45 16.685 5.992 -8.088 359 1HG GLN 45 HG2 GLN 45 15.541 7.137 -6.295 360 2HG GLN 45 HG1 GLN 45 16.207 8.689 -6.787 361 1HE2 GLN 45 HE21 GLN 45 13.327 7.750 -6.639 362 2HE2 GLN 45 HE22 GLN 45 12.710 8.047 -8.191 363 H LEU 46 HN LEU 46 20.746 7.403 -6.756 364 HA LEU 46 HA LEU 46 20.571 10.249 -6.329 365 1HB LEU 46 HB2 LEU 46 22.866 8.333 -6.714 366 2HB LEU 46 HB1 LEU 46 23.110 10.062 -6.462 367 HG LEU 46 HG LEU 46 21.354 8.540 -4.514 368 1HD1 LEU 46 HD11 LEU 46 23.374 7.170 -4.658 369 2HD1 LEU 46 HD12 LEU 46 23.361 8.057 -3.132 370 3HD1 LEU 46 HD13 LEU 46 24.387 8.599 -4.462 371 1HD2 LEU 46 HD21 LEU 46 21.560 11.027 -4.389 372 2HD2 LEU 46 HD22 LEU 46 23.304 10.856 -4.205 373 3HD2 LEU 46 HD23 LEU 46 22.225 10.241 -2.960 374 H THR 47 HN THR 47 19.312 9.674 -8.698 375 HA THR 47 HA THR 47 20.889 9.812 -11.000 376 HB THR 47 HB THR 47 18.577 9.277 -11.246 377 HG1 THR 47 HG1 THR 47 18.262 10.515 -12.935 378 1HG2 THR 47 HG21 THR 47 16.809 10.950 -10.643 379 2HG2 THR 47 HG22 THR 47 18.059 11.932 -9.882 380 3HG2 THR 47 HG23 THR 47 17.691 10.329 -9.251 381 H LYS 48 HN LYS 48 19.865 12.277 -8.743 382 HA LYS 48 HA LYS 48 21.815 14.119 -9.742 383 1HB LYS 48 HB2 LYS 48 20.102 14.457 -11.426 384 2HB LYS 48 HB1 LYS 48 18.898 14.722 -10.173 385 1HG LYS 48 HG2 LYS 48 19.597 16.880 -9.748 386 2HG LYS 48 HG1 LYS 48 21.302 16.474 -9.905 387 1HD LYS 48 HD2 LYS 48 19.536 16.567 -12.365 388 2HD LYS 48 HD1 LYS 48 20.219 18.056 -11.697 389 1HE LYS 48 HE2 LYS 48 22.468 17.204 -11.909 390 2HE LYS 48 HE1 LYS 48 21.880 15.613 -12.387 391 1HZ LYS 48 HZ1 LYS 48 22.110 18.040 -13.939 392 2HZ LYS 48 HZ2 LYS 48 20.654 17.190 -14.157 393 3HZ LYS 48 HZ3 LYS 48 22.142 16.419 -14.442 394 H ASN 49 HN ASN 49 22.470 15.384 -8.115 395 HA ASN 49 HA ASN 49 21.629 15.109 -5.511 396 1HB ASN 49 HB2 ASN 49 22.916 17.502 -6.831 397 2HB ASN 49 HB1 ASN 49 22.758 17.298 -5.087 398 1HD2 ASN 49 HD21 ASN 49 25.309 17.439 -6.489 399 2HD2 ASN 49 HD22 ASN 49 26.080 15.943 -6.272 400 H ALA 50 HN ALA 50 20.364 17.214 -8.023 401 HA ALA 50 HA ALA 50 18.760 18.817 -6.274 402 1HB ALA 50 HB1 ALA 50 19.537 19.180 -8.795 403 2HB ALA 50 HB2 ALA 50 18.070 19.930 -8.175 404 3HB ALA 50 HB3 ALA 50 17.968 18.457 -9.139 405 H VAL 51 HN VAL 51 18.065 16.080 -8.430 406 HA VAL 51 HA VAL 51 15.344 15.839 -8.083 407 HB VAL 51 HB VAL 51 17.500 13.786 -8.490 408 1HG1 VAL 51 HG11 VAL 51 15.486 12.198 -9.026 409 2HG1 VAL 51 HG12 VAL 51 14.550 13.296 -8.012 410 3HG1 VAL 51 HG13 VAL 51 15.925 12.433 -7.333 411 1HG2 VAL 51 HG21 VAL 51 16.663 13.704 -10.735 412 2HG2 VAL 51 HG22 VAL 51 16.677 15.419 -10.322 413 3HG2 VAL 51 HG23 VAL 51 15.164 14.516 -10.287 414 H VAL 52 HN VAL 52 17.898 14.611 -5.978 415 HA VAL 52 HA VAL 52 16.048 13.399 -4.138 416 HB VAL 52 HB VAL 52 18.107 13.170 -2.683 417 1HG1 VAL 52 HG11 VAL 52 19.223 11.581 -4.196 418 2HG1 VAL 52 HG12 VAL 52 18.443 12.333 -5.588 419 3HG1 VAL 52 HG13 VAL 52 17.476 11.469 -4.391 420 1HG2 VAL 52 HG21 VAL 52 19.254 15.203 -3.436 421 2HG2 VAL 52 HG22 VAL 52 19.405 14.520 -5.052 422 3HG2 VAL 52 HG23 VAL 52 20.272 13.789 -3.709 423 H LEU 53 HN LEU 53 17.747 16.460 -4.383 424 HA LEU 53 HA LEU 53 17.163 17.371 -1.772 425 1HB LEU 53 HB2 LEU 53 18.481 18.410 -4.092 426 2HB LEU 53 HB1 LEU 53 17.352 19.638 -3.554 427 HG LEU 53 HG LEU 53 19.505 19.958 -2.480 428 1HD1 LEU 53 HD11 LEU 53 18.113 18.885 -0.109 429 2HD1 LEU 53 HD12 LEU 53 17.037 19.789 -1.168 430 3HD1 LEU 53 HD13 LEU 53 18.490 20.554 -0.533 431 1HD2 LEU 53 HD21 LEU 53 20.729 18.305 -1.371 432 2HD2 LEU 53 HD22 LEU 53 19.990 17.329 -2.639 433 3HD2 LEU 53 HD23 LEU 53 19.313 17.325 -1.008 434 H LYS 54 HN LYS 54 15.393 17.506 -4.787 435 HA LYS 54 HA LYS 54 13.482 19.399 -4.143 436 1HB LYS 54 HB2 LYS 54 13.378 16.872 -5.786 437 2HB LYS 54 HB1 LYS 54 11.972 17.927 -5.651 438 1HG LYS 54 HG2 LYS 54 13.259 19.804 -6.538 439 2HG LYS 54 HG1 LYS 54 14.713 18.815 -6.602 440 1HD LYS 54 HD2 LYS 54 13.685 17.330 -8.223 441 2HD LYS 54 HD1 LYS 54 12.159 18.195 -8.100 442 1HE LYS 54 HE2 LYS 54 13.372 18.947 -10.096 443 2HE LYS 54 HE1 LYS 54 13.283 20.257 -8.920 444 1HZ LYS 54 HZ1 LYS 54 15.485 20.134 -8.469 445 2HZ LYS 54 HZ2 LYS 54 15.537 19.564 -10.069 446 3HZ LYS 54 HZ3 LYS 54 15.586 18.469 -8.770 447 H ARG 55 HN ARG 55 13.595 15.960 -3.304 448 HA ARG 55 HA ARG 55 11.066 15.855 -2.038 449 1HB ARG 55 HB2 ARG 55 13.484 14.149 -1.392 450 2HB ARG 55 HB1 ARG 55 11.784 13.728 -1.184 451 1HG ARG 55 HG2 ARG 55 13.174 14.233 -3.840 452 2HG ARG 55 HG1 ARG 55 12.699 12.661 -3.212 453 1HD ARG 55 HD2 ARG 55 10.900 14.914 -4.114 454 2HD ARG 55 HD1 ARG 55 10.960 13.260 -4.713 455 HE ARG 55 HE ARG 55 9.550 14.181 -2.355 456 1HH1 ARG 55 HH21 ARG 55 11.108 11.529 -3.941 457 2HH1 ARG 55 HH22 ARG 55 10.211 10.313 -3.093 458 1HH2 ARG 55 HH11 ARG 55 8.363 12.593 -1.246 459 2HH2 ARG 55 HH12 ARG 55 8.657 10.916 -1.566 460 H ILE 56 HN ILE 56 14.294 16.689 -0.909 461 HA ILE 56 HA ILE 56 13.654 16.733 1.859 462 HB ILE 56 HB ILE 56 15.782 18.334 0.423 463 1HG1 ILE 56 HG12 ILE 56 15.967 15.983 -0.185 464 2HG1 ILE 56 HG11 ILE 56 17.260 16.393 0.931 465 1HG2 ILE 56 HG21 ILE 56 15.497 19.043 2.720 466 2HG2 ILE 56 HG22 ILE 56 16.960 18.061 2.622 467 3HG2 ILE 56 HG23 ILE 56 15.472 17.368 3.272 468 1HD1 ILE 56 HD11 ILE 56 14.809 14.715 1.390 469 2HD1 ILE 56 HD12 ILE 56 15.549 15.533 2.753 470 3HD1 ILE 56 HD13 ILE 56 16.482 14.372 1.815 471 H GLN 57 HN GLN 57 13.924 19.354 -0.542 472 HA GLN 57 HA GLN 57 13.209 21.465 1.121 473 1HB GLN 57 HB2 GLN 57 12.617 21.068 -1.818 474 2HB GLN 57 HB1 GLN 57 12.487 22.604 -0.960 475 1HG GLN 57 HG2 GLN 57 14.882 22.463 -0.358 476 2HG GLN 57 HG1 GLN 57 14.997 20.938 -1.233 477 1HE2 GLN 57 HE21 GLN 57 16.174 21.425 -3.109 478 2HE2 GLN 57 HE22 GLN 57 15.811 22.709 -4.158 479 H HIS 58 HN HIS 58 11.177 19.208 -0.698 480 HA HIS 58 HA HIS 58 8.707 20.493 0.052 481 1HB HIS 58 HB2 HIS 58 9.341 17.804 -1.191 482 2HB HIS 58 HB1 HIS 58 7.695 18.351 -0.867 483 HD1 HIS 58 HD1 HIS 58 10.795 19.793 -2.587 484 HD2 HIS 58 HD2 HIS 58 6.651 19.701 -3.024 485 HE1 HIS 58 HE1 HIS 58 10.272 21.066 -4.712 486 HE2 HIS 58 HE2 HIS 58 7.748 21.020 -4.993 487 H LEU 59 HN LEU 59 10.570 17.708 1.190 488 HA LEU 59 HA LEU 59 8.750 16.583 2.923 489 1HB LEU 59 HB2 LEU 59 10.956 15.599 2.492 490 2HB LEU 59 HB1 LEU 59 11.732 16.926 3.355 491 HG LEU 59 HG LEU 59 10.538 16.252 5.430 492 1HD1 LEU 59 HD11 LEU 59 9.313 14.230 3.551 493 2HD1 LEU 59 HD12 LEU 59 8.545 15.208 4.800 494 3HD1 LEU 59 HD13 LEU 59 9.524 13.818 5.258 495 1HD2 LEU 59 HD21 LEU 59 11.848 14.285 5.874 496 2HD2 LEU 59 HD22 LEU 59 12.794 15.337 4.820 497 3HD2 LEU 59 HD23 LEU 59 11.973 13.928 4.157 498 H ASP 60 HN ASP 60 10.598 19.531 3.275 499 HA ASP 60 HA ASP 60 10.442 19.975 6.011 500 1HB ASP 60 HB2 ASP 60 10.826 22.282 5.540 501 2HB ASP 60 HB1 ASP 60 11.615 21.392 4.242 502 H GLU 61 HN GLU 61 7.957 20.148 3.587 503 HA GLU 61 HA GLU 61 6.061 21.746 4.883 504 1HB GLU 61 HB2 GLU 61 4.477 20.844 3.354 505 2HB GLU 61 HB1 GLU 61 6.018 20.796 2.498 506 1HG GLU 61 HG2 GLU 61 6.232 18.366 3.417 507 2HG GLU 61 HG1 GLU 61 4.518 18.497 3.783 508 H ALA 62 HN ALA 62 6.855 18.334 5.245 509 HA ALA 62 HA ALA 62 4.642 17.702 6.934 510 1HB ALA 62 HB1 ALA 62 5.834 15.608 7.353 511 2HB ALA 62 HB2 ALA 62 7.306 16.281 6.651 512 3HB ALA 62 HB3 ALA 62 5.895 15.992 5.633 513 H TYR 63 HN TYR 63 8.105 18.211 7.585 514 HA TYR 63 HA TYR 63 8.087 17.968 10.321 515 1HB TYR 63 HB2 TYR 63 10.264 18.357 9.680 516 2HB TYR 63 HB1 TYR 63 9.771 19.378 8.332 517 HD1 TYR 63 HD2 TYR 63 9.267 21.782 8.679 518 HD2 TYR 63 HD1 TYR 63 10.761 19.313 11.859 519 HE1 TYR 63 HE2 TYR 63 9.815 23.810 9.999 520 HE2 TYR 63 HE1 TYR 63 11.298 21.343 13.182 521 HH TYR 63 HH TYR 63 11.800 24.056 12.269 522 H ASN 64 HN ASN 64 7.202 20.789 8.368 523 HA ASN 64 HA ASN 64 6.794 22.559 10.563 524 1HB ASN 64 HB2 ASN 64 6.025 22.567 7.649 525 2HB ASN 64 HB1 ASN 64 5.346 23.787 8.723 526 1HD2 ASN 64 HD21 ASN 64 8.077 23.036 6.793 527 2HD2 ASN 64 HD22 ASN 64 9.118 24.230 7.403 528 H LYS 65 HN LYS 65 4.671 20.432 8.718 529 HA LYS 65 HA LYS 65 2.266 21.244 9.965 530 1HB LYS 65 HB2 LYS 65 3.071 18.710 8.520 531 2HB LYS 65 HB1 LYS 65 1.431 18.992 9.108 532 1HG LYS 65 HG2 LYS 65 2.730 21.126 7.402 533 2HG LYS 65 HG1 LYS 65 2.102 19.683 6.609 534 1HD LYS 65 HD2 LYS 65 -0.107 20.066 7.558 535 2HD LYS 65 HD1 LYS 65 0.490 21.442 8.482 536 1HE LYS 65 HE2 LYS 65 -0.617 22.257 6.481 537 2HE LYS 65 HE1 LYS 65 1.115 22.555 6.339 538 1HZ LYS 65 HZ1 LYS 65 1.097 21.386 4.479 539 2HZ LYS 65 HZ2 LYS 65 -0.549 21.012 4.672 540 3HZ LYS 65 HZ3 LYS 65 0.640 20.005 5.352 541 H VAL 66 HN VAL 66 4.726 18.885 10.778 542 HA VAL 66 HA VAL 66 3.287 17.478 12.728 543 HB VAL 66 HB VAL 66 6.258 18.057 12.521 544 1HG1 VAL 66 HG11 VAL 66 4.677 16.218 14.334 545 2HG1 VAL 66 HG12 VAL 66 5.926 17.380 14.777 546 3HG1 VAL 66 HG13 VAL 66 6.362 15.892 13.936 547 1HG2 VAL 66 HG21 VAL 66 4.791 16.666 10.714 548 2HG2 VAL 66 HG22 VAL 66 5.018 15.393 11.907 549 3HG2 VAL 66 HG23 VAL 66 6.418 16.169 11.174 550 H LYS 67 HN LYS 67 5.736 20.014 13.259 551 HA LYS 67 HA LYS 67 5.151 20.373 15.978 552 1HB LYS 67 HB2 LYS 67 6.253 22.379 14.007 553 2HB LYS 67 HB1 LYS 67 6.352 22.483 15.767 554 1HG LYS 67 HG2 LYS 67 7.417 19.966 15.399 555 2HG LYS 67 HG1 LYS 67 7.909 20.735 13.888 556 1HD LYS 67 HD2 LYS 67 8.430 21.815 16.662 557 2HD LYS 67 HD1 LYS 67 9.618 20.985 15.666 558 1HE LYS 67 HE2 LYS 67 9.160 22.791 13.890 559 2HE LYS 67 HE1 LYS 67 8.318 23.673 15.162 560 1HZ LYS 67 HZ1 LYS 67 10.589 24.385 15.043 561 2HZ LYS 67 HZ2 LYS 67 11.148 22.789 15.208 562 3HZ LYS 67 HZ3 LYS 67 10.345 23.549 16.499 563 H ARG 68 HN ARG 68 4.133 22.300 13.167 564 HA ARG 68 HA ARG 68 2.545 24.136 14.512 565 1HB ARG 68 HB2 ARG 68 3.227 24.153 12.054 566 2HB ARG 68 HB1 ARG 68 1.913 23.011 11.767 567 1HG ARG 68 HG2 ARG 68 0.284 24.605 12.606 568 2HG ARG 68 HG1 ARG 68 1.563 25.721 13.072 569 1HD ARG 68 HD2 ARG 68 0.621 26.460 10.970 570 2HD ARG 68 HD1 ARG 68 2.249 25.850 10.679 571 HE ARG 68 HE ARG 68 1.334 24.074 9.463 572 1HH1 ARG 68 HH21 ARG 68 -1.099 25.801 11.215 573 2HH1 ARG 68 HH22 ARG 68 -2.423 25.005 10.430 574 1HH2 ARG 68 HH11 ARG 68 -0.395 23.029 8.431 575 2HH2 ARG 68 HH12 ARG 68 -2.024 23.432 8.856 576 H GLY 69 HN GLY 69 2.126 20.808 14.219 577 1HA GLY 69 HA2 GLY 69 -0.803 20.923 14.581 578 2HA GLY 69 HA1 GLY 69 0.140 19.497 14.161 579 H GLU 70 HN GLU 70 2.198 20.131 16.190 580 HA GLU 70 HA GLU 70 1.287 18.558 18.298 581 1HB GLU 70 HB2 GLU 70 3.503 20.605 18.114 582 2HB GLU 70 HB1 GLU 70 3.227 19.682 19.590 583 1HG GLU 70 HG2 GLU 70 3.622 18.387 16.878 584 2HG GLU 70 HG1 GLU 70 4.944 18.689 17.998 585 H SER 71 HN SER 71 2.406 21.592 19.483 586 HA SER 71 HA SER 71 -0.154 22.734 20.103 587 1HB SER 71 HB2 SER 71 1.382 21.510 22.402 588 2HB SER 71 HB1 SER 71 -0.161 22.352 22.482 589 HG SER 71 HG SER 71 -1.030 20.485 22.119 590 H LYS 72 HN LYS 72 1.363 23.490 22.755 591 HA LYS 72 HA LYS 72 2.242 26.024 21.851 592 1HB LYS 72 HB2 LYS 72 2.908 24.645 24.456 593 2HB LYS 72 HB1 LYS 72 2.911 26.378 24.142 594 1HG LYS 72 HG2 LYS 72 0.468 24.588 24.010 595 2HG LYS 72 HG1 LYS 72 0.879 25.649 25.358 596 1HD LYS 72 HD2 LYS 72 0.917 27.563 23.588 597 2HD LYS 72 HD1 LYS 72 0.069 26.424 22.543 598 1HE LYS 72 HE2 LYS 72 -1.569 27.777 23.682 599 2HE LYS 72 HE1 LYS 72 -1.647 26.139 24.332 600 1HZ LYS 72 HZ1 LYS 72 -1.650 27.831 26.079 601 2HZ LYS 72 HZ2 LYS 72 -0.136 28.389 25.548 602 3HZ LYS 72 HZ3 LYS 72 -0.291 26.822 26.188 603 H LEU 73 HN LEU 73 4.616 25.533 23.887 604 HA LEU 73 HA LEU 73 6.897 25.563 23.588 605 1HB LEU 73 HB2 LEU 73 5.918 22.962 22.438 606 2HB LEU 73 HB1 LEU 73 7.641 23.332 22.361 607 HG LEU 73 HG LEU 73 7.659 23.697 24.789 608 1HD1 LEU 73 HD11 LEU 73 5.612 22.845 26.064 609 2HD1 LEU 73 HD12 LEU 73 4.736 22.945 24.534 610 3HD1 LEU 73 HD13 LEU 73 5.425 24.401 25.255 611 1HD2 LEU 73 HD21 LEU 73 6.433 21.034 24.002 612 2HD2 LEU 73 HD22 LEU 73 7.449 21.337 25.410 613 3HD2 LEU 73 HD23 LEU 73 8.132 21.456 23.789 614 H GLU 74 HN GLU 74 6.104 27.405 21.976 615 HA GLU 74 HA GLU 74 7.749 27.076 19.582 616 1HB GLU 74 HB2 GLU 74 5.834 28.187 18.239 617 2HB GLU 74 HB1 GLU 74 5.691 26.469 18.596 618 1HG GLU 74 HG2 GLU 74 4.157 26.867 20.387 619 2HG GLU 74 HG1 GLU 74 4.454 28.590 20.379 620 H HIS 75 HN HIS 75 5.812 29.143 21.674 621 HA HIS 75 HA HIS 75 6.032 31.325 22.275 622 1HB HIS 75 HB2 HIS 75 8.595 30.247 22.324 623 2HB HIS 75 HB1 HIS 75 8.819 31.664 21.299 624 HD1 HIS 75 HD1 HIS 75 6.629 31.174 24.384 625 HD2 HIS 75 HD2 HIS 75 9.700 33.640 23.020 626 HE1 HIS 75 HE1 HIS 75 7.004 32.913 26.186 627 HE2 HIS 75 HE2 HIS 75 8.874 34.423 25.370 628 H HIS 76 HN HIS 76 5.836 33.400 21.412 629 HA HIS 76 HA HIS 76 5.989 33.588 18.447 630 1HB HIS 76 HB2 HIS 76 4.179 35.300 18.701 631 2HB HIS 76 HB1 HIS 76 3.695 33.664 19.146 632 HD1 HIS 76 HD1 HIS 76 4.434 37.037 20.617 633 HD2 HIS 76 HD2 HIS 76 3.224 33.268 21.926 634 HE1 HIS 76 HE1 HIS 76 3.667 37.323 23.013 635 HE2 HIS 76 HE2 HIS 76 2.926 35.035 23.826 636 H HIS 77 HN HIS 77 8.271 34.126 19.920 637 HA HIS 77 HA HIS 77 8.425 37.092 19.953 638 1HB HIS 77 HB2 HIS 77 9.001 35.892 22.082 639 2HB HIS 77 HB1 HIS 77 10.334 35.116 21.228 640 HD1 HIS 77 HD1 HIS 77 12.395 36.550 20.672 641 HD2 HIS 77 HD2 HIS 77 9.324 38.735 22.453 642 HE1 HIS 77 HE1 HIS 77 13.372 38.810 21.261 643 HE2 HIS 77 HE2 HIS 77 11.513 40.154 22.347 644 H HIS 78 HN HIS 78 9.132 37.812 18.061 645 HA HIS 78 HA HIS 78 11.706 36.925 17.046 646 1HB HIS 78 HB2 HIS 78 10.827 36.469 14.763 647 2HB HIS 78 HB1 HIS 78 10.266 35.298 15.957 648 HD1 HIS 78 HD1 HIS 78 9.042 37.591 13.419 649 HD2 HIS 78 HD2 HIS 78 7.527 36.001 16.962 650 HE1 HIS 78 HE1 HIS 78 6.535 37.942 13.346 651 HE2 HIS 78 HE2 HIS 78 5.596 36.978 15.499 652 H HIS 79 HN HIS 79 12.552 38.338 15.420 653 HA HIS 79 HA HIS 79 11.883 41.072 15.850 654 1HB HIS 79 HB2 HIS 79 13.547 41.497 14.039 655 2HB HIS 79 HB1 HIS 79 14.163 40.442 15.310 656 HD1 HIS 79 HD1 HIS 79 14.351 37.877 14.750 657 HD2 HIS 79 HD2 HIS 79 13.289 40.273 11.507 658 HE1 HIS 79 HE1 HIS 79 14.653 36.453 12.677 659 HE2 HIS 79 HE2 HIS 79 14.010 37.900 10.692 660 H HIS 80 HN HIS 80 10.501 42.367 14.810 661 HA HIS 80 HA HIS 80 8.660 41.317 12.902 662 1HB HIS 80 HB2 HIS 80 9.209 44.176 13.735 663 2HB HIS 80 HB1 HIS 80 7.824 43.644 12.783 664 HD1 HIS 80 HD1 HIS 80 6.319 41.699 14.026 665 HD2 HIS 80 HD2 HIS 80 8.770 44.030 16.464 666 HE1 HIS 80 HE1 HIS 80 5.453 41.419 16.389 667 HE2 HIS 80 HE2 HIS 80 6.937 42.834 17.888 668 1H MET 1 HT1 MET 1 39.121 30.807 19.424 669 2H MET 1 HT2 MET 1 38.792 31.781 18.073 670 3H MET 1 HT3 MET 1 39.450 30.229 17.863 671 HA MET 1 HA MET 1 37.475 29.161 18.440 672 1HB MET 1 HB2 MET 1 35.598 30.364 19.480 673 2HB MET 1 HB1 MET 1 37.058 30.543 20.452 674 1HG MET 1 HG2 MET 1 36.297 32.768 20.372 675 2HG MET 1 HG1 MET 1 37.401 32.749 18.996 676 1HE MET 1 HE1 MET 1 35.197 34.975 19.216 677 2HE MET 1 HE2 MET 1 34.776 35.005 17.504 678 3HE MET 1 HE3 MET 1 36.447 34.728 17.989 679 H SER 2 HN SER 2 38.088 32.134 16.805 680 HA SER 2 HA SER 2 35.752 32.317 15.216 681 1HB SER 2 HB2 SER 2 37.377 34.164 15.464 682 2HB SER 2 HB1 SER 2 38.568 33.226 14.567 683 HG SER 2 HG SER 2 36.052 34.188 13.666 684 H GLU 3 HN GLU 3 38.590 30.317 15.039 685 HA GLU 3 HA GLU 3 38.300 29.558 12.282 686 1HB GLU 3 HB2 GLU 3 39.942 27.814 12.842 687 2HB GLU 3 HB1 GLU 3 40.463 29.398 13.421 688 1HG GLU 3 HG2 GLU 3 39.483 28.817 15.669 689 2HG GLU 3 HG1 GLU 3 39.185 27.189 15.063 690 H LEU 4 HN LEU 4 37.260 27.844 11.401 691 HA LEU 4 HA LEU 4 36.152 25.711 12.998 692 1HB LEU 4 HB2 LEU 4 33.761 26.356 12.021 693 2HB LEU 4 HB1 LEU 4 34.326 27.086 13.517 694 HG LEU 4 HG LEU 4 35.094 29.066 12.310 695 1HD1 LEU 4 HD11 LEU 4 34.220 27.466 9.892 696 2HD1 LEU 4 HD12 LEU 4 35.781 28.227 10.193 697 3HD1 LEU 4 HD13 LEU 4 34.375 29.223 9.833 698 1HD2 LEU 4 HD21 LEU 4 32.757 28.986 13.082 699 2HD2 LEU 4 HD22 LEU 4 32.272 28.265 11.546 700 3HD2 LEU 4 HD23 LEU 4 32.899 29.913 11.589 701 H PHE 5 HN PHE 5 37.628 26.678 10.352 702 HA PHE 5 HA PHE 5 36.229 25.597 8.180 703 1HB PHE 5 HB2 PHE 5 38.240 27.022 7.981 704 2HB PHE 5 HB1 PHE 5 39.223 25.691 8.591 705 HD1 PHE 5 HD2 PHE 5 39.582 23.664 7.253 706 HD2 PHE 5 HD1 PHE 5 37.245 26.935 5.743 707 HE1 PHE 5 HE2 PHE 5 39.711 22.702 4.971 708 HE2 PHE 5 HE1 PHE 5 37.373 25.974 3.461 709 HZ PHE 5 HZ PHE 5 38.607 23.856 3.075 710 H SER 6 HN SER 6 38.538 24.119 10.418 711 HA SER 6 HA SER 6 38.623 21.594 9.173 712 1HB SER 6 HB2 SER 6 40.059 22.668 11.142 713 2HB SER 6 HB1 SER 6 38.900 21.817 12.159 714 HG SER 6 HG SER 6 40.980 20.849 10.773 715 H VAL 7 HN VAL 7 37.254 19.911 9.165 716 HA VAL 7 HA VAL 7 34.586 20.142 10.033 717 HB VAL 7 HB VAL 7 36.113 17.566 9.557 718 1HG1 VAL 7 HG11 VAL 7 33.966 17.194 10.567 719 2HG1 VAL 7 HG12 VAL 7 33.881 16.759 8.860 720 3HG1 VAL 7 HG13 VAL 7 33.190 18.281 9.414 721 1HG2 VAL 7 HG21 VAL 7 35.338 17.788 7.230 722 2HG2 VAL 7 HG22 VAL 7 36.447 19.080 7.691 723 3HG2 VAL 7 HG23 VAL 7 34.713 19.393 7.607 724 HA PRO 8 HA PRO 8 36.111 17.160 13.700 725 1HB PRO 8 HB2 PRO 8 38.604 18.273 14.599 726 2HB PRO 8 HB1 PRO 8 38.379 16.704 13.802 727 1HG PRO 8 HG2 PRO 8 39.153 19.331 12.631 728 2HG PRO 8 HG1 PRO 8 39.720 17.706 12.202 729 1HD PRO 8 HD2 PRO 8 38.013 18.931 10.622 730 2HD PRO 8 HD1 PRO 8 37.770 17.216 10.995 731 H TYR 9 HN TYR 9 36.634 20.588 13.230 732 HA TYR 9 HA TYR 9 36.460 21.439 15.905 733 1HB TYR 9 HB2 TYR 9 37.219 22.870 14.038 734 2HB TYR 9 HB1 TYR 9 35.569 22.898 13.415 735 HD1 TYR 9 HD2 TYR 9 37.475 23.540 16.580 736 HD2 TYR 9 HD1 TYR 9 34.124 24.624 14.121 737 HE1 TYR 9 HE2 TYR 9 36.938 25.399 18.129 738 HE2 TYR 9 HE1 TYR 9 33.591 26.485 15.665 739 HH TYR 9 HH TYR 9 35.457 27.852 17.613 740 H PHE 10 HN PHE 10 33.994 20.853 13.449 741 HA PHE 10 HA PHE 10 31.776 21.833 14.873 742 1HB PHE 10 HB2 PHE 10 32.214 19.984 12.575 743 2HB PHE 10 HB1 PHE 10 30.660 19.819 13.389 744 HD1 PHE 10 HD2 PHE 10 32.812 22.833 12.789 745 HD2 PHE 10 HD1 PHE 10 29.069 20.876 11.999 746 HE1 PHE 10 HE2 PHE 10 31.992 24.861 11.620 747 HE2 PHE 10 HE1 PHE 10 28.256 22.906 10.836 748 HZ PHE 10 HZ PHE 10 29.710 24.897 10.645 749 H ILE 11 HN ILE 11 33.329 18.651 14.884 750 HA ILE 11 HA ILE 11 31.387 17.424 16.567 751 HB ILE 11 HB ILE 11 34.276 16.651 16.104 752 1HG1 ILE 11 HG12 ILE 11 31.769 15.657 14.713 753 2HG1 ILE 11 HG11 ILE 11 32.842 16.863 14.017 754 1HG2 ILE 11 HG21 ILE 11 33.393 14.374 16.722 755 2HG2 ILE 11 HG22 ILE 11 31.864 15.136 17.156 756 3HG2 ILE 11 HG23 ILE 11 33.330 15.527 18.054 757 1HD1 ILE 11 HD11 ILE 11 34.713 15.248 14.160 758 2HD1 ILE 11 HD12 ILE 11 33.391 14.632 13.164 759 3HD1 ILE 11 HD13 ILE 11 33.604 14.047 14.814 760 H GLU 12 HN GLU 12 34.524 18.952 17.140 761 HA GLU 12 HA GLU 12 34.886 18.395 19.825 762 1HB GLU 12 HB2 GLU 12 35.555 20.839 18.176 763 2HB GLU 12 HB1 GLU 12 36.018 20.727 19.873 764 1HG GLU 12 HG2 GLU 12 37.313 18.726 19.443 765 2HG GLU 12 HG1 GLU 12 36.753 18.666 17.778 766 H ASN 13 HN ASN 13 32.616 20.594 18.331 767 HA ASN 13 HA ASN 13 31.940 22.022 20.726 768 1HB ASN 13 HB2 ASN 13 30.495 21.702 18.086 769 2HB ASN 13 HB1 ASN 13 29.986 22.789 19.376 770 1HD2 ASN 13 HD21 ASN 13 33.071 23.142 19.940 771 2HD2 ASN 13 HD22 ASN 13 33.524 24.301 18.789 772 H LEU 14 HN LEU 14 30.807 19.112 19.134 773 HA LEU 14 HA LEU 14 28.421 18.810 20.685 774 1HB LEU 14 HB2 LEU 14 29.955 16.605 19.283 775 2HB LEU 14 HB1 LEU 14 28.231 16.671 19.653 776 HG LEU 14 HG LEU 14 29.660 18.566 17.772 777 1HD1 LEU 14 HD11 LEU 14 28.733 17.369 15.962 778 2HD1 LEU 14 HD12 LEU 14 27.701 16.407 17.007 779 3HD1 LEU 14 HD13 LEU 14 29.444 16.138 17.003 780 1HD2 LEU 14 HD21 LEU 14 26.779 18.275 18.657 781 2HD2 LEU 14 HD22 LEU 14 27.203 19.017 17.121 782 3HD2 LEU 14 HD23 LEU 14 27.779 19.729 18.616 783 H LYS 15 HN LYS 15 31.737 17.624 20.943 784 HA LYS 15 HA LYS 15 31.393 15.749 22.965 785 1HB LYS 15 HB2 LYS 15 33.496 16.133 21.671 786 2HB LYS 15 HB1 LYS 15 33.771 17.584 22.635 787 1HG LYS 15 HG2 LYS 15 33.833 16.261 24.688 788 2HG LYS 15 HG1 LYS 15 33.426 14.799 23.789 789 1HD LYS 15 HD2 LYS 15 35.513 14.992 22.503 790 2HD LYS 15 HD1 LYS 15 35.924 16.466 23.382 791 1HE LYS 15 HE2 LYS 15 37.082 14.524 24.361 792 2HE LYS 15 HE1 LYS 15 35.920 15.194 25.504 793 1HZ LYS 15 HZ1 LYS 15 36.014 12.633 24.962 794 2HZ LYS 15 HZ2 LYS 15 34.985 13.101 23.694 795 3HZ LYS 15 HZ3 LYS 15 34.550 13.418 25.306 796 H GLN 16 HN GLN 16 31.778 19.255 23.125 797 HA GLN 16 HA GLN 16 32.003 19.445 25.958 798 1HB GLN 16 HB2 GLN 16 32.655 21.244 24.327 799 2HB GLN 16 HB1 GLN 16 30.939 21.540 24.050 800 1HG GLN 16 HG2 GLN 16 30.623 22.047 26.437 801 2HG GLN 16 HG1 GLN 16 32.323 21.705 26.742 802 1HE2 GLN 16 HE21 GLN 16 31.084 24.282 27.255 803 2HE2 GLN 16 HE22 GLN 16 31.817 25.408 26.219 804 H HIS 17 HN HIS 17 29.274 19.401 23.734 805 HA HIS 17 HA HIS 17 27.286 20.220 25.561 806 1HB HIS 17 HB2 HIS 17 27.055 18.389 23.161 807 2HB HIS 17 HB1 HIS 17 25.703 19.154 23.991 808 HD1 HIS 17 HD1 HIS 17 28.219 21.596 24.206 809 HD2 HIS 17 HD2 HIS 17 25.830 20.271 21.056 810 HE1 HIS 17 HE1 HIS 17 28.229 23.442 22.472 811 HE2 HIS 17 HE2 HIS 17 26.777 22.649 20.545 812 H ILE 18 HN ILE 18 28.285 16.952 24.541 813 HA ILE 18 HA ILE 18 26.609 15.626 26.460 814 HB ILE 18 HB ILE 18 27.831 13.598 25.772 815 1HG1 ILE 18 HG12 ILE 18 29.571 15.595 24.305 816 2HG1 ILE 18 HG11 ILE 18 30.090 14.471 25.554 817 1HG2 ILE 18 HG21 ILE 18 27.069 13.581 23.493 818 2HG2 ILE 18 HG22 ILE 18 27.287 15.323 23.331 819 3HG2 ILE 18 HG23 ILE 18 26.002 14.684 24.348 820 1HD1 ILE 18 HD11 ILE 18 30.761 13.442 23.536 821 2HD1 ILE 18 HD12 ILE 18 29.245 13.843 22.729 822 3HD1 ILE 18 HD13 ILE 18 29.276 12.603 23.984 823 H GLU 19 HN GLU 19 30.075 16.383 26.286 824 HA GLU 19 HA GLU 19 30.745 15.117 28.748 825 1HB GLU 19 HB2 GLU 19 32.385 15.692 26.936 826 2HB GLU 19 HB1 GLU 19 32.204 17.391 27.371 827 1HG GLU 19 HG2 GLU 19 32.974 16.895 29.659 828 2HG GLU 19 HG1 GLU 19 33.142 15.193 29.234 829 H MET 20 HN MET 20 30.336 18.554 27.880 830 HA MET 20 HA MET 20 30.279 19.298 30.701 831 1HB MET 20 HB2 MET 20 31.237 20.611 28.540 832 2HB MET 20 HB1 MET 20 29.623 21.316 28.575 833 1HG MET 20 HG2 MET 20 30.938 22.751 29.965 834 2HG MET 20 HG1 MET 20 30.061 21.723 31.098 835 1HE MET 20 HE1 MET 20 33.574 20.708 28.962 836 2HE MET 20 HE2 MET 20 34.427 21.855 29.988 837 3HE MET 20 HE3 MET 20 33.034 22.391 29.053 838 H ASN 21 HN ASN 21 28.448 21.513 30.273 839 HA ASN 21 HA ASN 21 25.872 20.434 29.569 840 1HB ASN 21 HB2 ASN 21 24.909 20.612 31.825 841 2HB ASN 21 HB1 ASN 21 26.167 19.380 31.756 842 1HD2 ASN 21 HD21 ASN 21 27.648 19.507 33.438 843 2HD2 ASN 21 HD22 ASN 21 28.029 20.920 34.298 844 H GLN 22 HN GLN 22 27.460 22.709 28.815 845 HA GLN 22 HA GLN 22 26.935 25.123 30.014 846 1HB GLN 22 HB2 GLN 22 28.264 24.783 27.914 847 2HB GLN 22 HB1 GLN 22 26.744 24.645 27.031 848 1HG GLN 22 HG2 GLN 22 26.096 26.909 27.772 849 2HG GLN 22 HG1 GLN 22 27.604 27.045 28.676 850 1HE2 GLN 22 HE21 GLN 22 28.657 28.672 27.454 851 2HE2 GLN 22 HE22 GLN 22 29.025 28.511 25.805 852 H SER 23 HN SER 23 24.900 23.787 27.401 853 HA SER 23 HA SER 23 22.446 24.266 28.751 854 1HB SER 23 HB2 SER 23 21.643 26.128 27.268 855 2HB SER 23 HB1 SER 23 22.905 26.608 28.398 856 HG SER 23 HG SER 23 23.441 27.372 26.370 857 H GLU 24 HN GLU 24 22.856 22.000 27.754 858 HA GLU 24 HA GLU 24 21.182 21.837 25.388 859 1HB GLU 24 HB2 GLU 24 23.689 22.104 24.665 860 2HB GLU 24 HB1 GLU 24 23.869 20.442 25.219 861 1HG GLU 24 HG2 GLU 24 23.350 20.302 22.872 862 2HG GLU 24 HG1 GLU 24 21.869 19.860 23.720 863 H ASP 25 HN ASP 25 22.700 19.062 25.191 864 HA ASP 25 HA ASP 25 21.764 17.673 27.556 865 1HB ASP 25 HB2 ASP 25 20.348 17.354 24.901 866 2HB ASP 25 HB1 ASP 25 20.187 16.224 26.248 867 H LYS 26 HN LYS 26 21.701 15.155 26.782 868 HA LYS 26 HA LYS 26 24.442 14.595 26.116 869 1HB LYS 26 HB2 LYS 26 23.047 13.263 27.736 870 2HB LYS 26 HB1 LYS 26 22.145 12.627 26.364 871 1HG LYS 26 HG2 LYS 26 24.216 11.689 25.414 872 2HG LYS 26 HG1 LYS 26 25.152 12.388 26.733 873 1HD LYS 26 HD2 LYS 26 23.874 11.030 28.354 874 2HD LYS 26 HD1 LYS 26 22.956 10.316 27.028 875 1HE LYS 26 HE2 LYS 26 24.978 9.359 26.080 876 2HE LYS 26 HE1 LYS 26 25.970 10.156 27.302 877 1HZ LYS 26 HZ1 LYS 26 25.698 8.070 28.184 878 2HZ LYS 26 HZ2 LYS 26 24.115 7.894 27.593 879 3HZ LYS 26 HZ3 LYS 26 24.420 8.902 28.927 880 H ILE 27 HN ILE 27 22.314 12.330 24.719 881 HA ILE 27 HA ILE 27 23.493 12.587 22.153 882 HB ILE 27 HB ILE 27 21.170 11.015 23.254 883 1HG1 ILE 27 HG12 ILE 27 23.818 10.227 21.975 884 2HG1 ILE 27 HG11 ILE 27 23.486 10.240 23.706 885 1HG2 ILE 27 HG21 ILE 27 21.117 9.914 20.905 886 2HG2 ILE 27 HG22 ILE 27 21.997 11.333 20.350 887 3HG2 ILE 27 HG23 ILE 27 20.387 11.512 21.037 888 1HD1 ILE 27 HD11 ILE 27 21.603 8.631 23.263 889 2HD1 ILE 27 HD12 ILE 27 23.214 7.986 22.930 890 3HD1 ILE 27 HD13 ILE 27 22.185 8.524 21.603 891 H HIS 28 HN HIS 28 20.554 13.847 23.616 892 HA HIS 28 HA HIS 28 19.283 14.631 21.218 893 1HB HIS 28 HB2 HIS 28 19.077 15.622 24.054 894 2HB HIS 28 HB1 HIS 28 18.069 16.270 22.762 895 HD1 HIS 28 HD1 HIS 28 18.425 13.406 25.061 896 HD2 HIS 28 HD2 HIS 28 16.326 14.247 21.560 897 HE1 HIS 28 HE1 HIS 28 16.635 11.626 24.854 898 HE2 HIS 28 HE2 HIS 28 15.346 12.126 22.724 899 H ALA 29 HN ALA 29 22.237 15.477 22.035 900 HA ALA 29 HA ALA 29 22.167 18.348 21.737 901 1HB ALA 29 HB1 ALA 29 24.516 16.461 21.486 902 2HB ALA 29 HB2 ALA 29 23.938 17.146 23.004 903 3HB ALA 29 HB3 ALA 29 24.574 18.204 21.748 904 H MET 30 HN MET 30 22.987 15.577 19.671 905 HA MET 30 HA MET 30 23.855 17.021 17.421 906 1HB MET 30 HB2 MET 30 22.777 14.813 16.244 907 2HB MET 30 HB1 MET 30 24.308 14.754 17.118 908 1HG MET 30 HG2 MET 30 23.291 13.888 19.063 909 2HG MET 30 HG1 MET 30 21.673 14.348 18.534 910 1HE MET 30 HE1 MET 30 20.304 11.257 17.239 911 2HE MET 30 HE2 MET 30 20.165 13.007 17.094 912 3HE MET 30 HE3 MET 30 20.373 12.276 18.683 913 H ASN 31 HN ASN 31 20.597 15.849 18.284 914 HA ASN 31 HA ASN 31 19.223 16.623 16.008 915 1HB ASN 31 HB2 ASN 31 18.346 16.724 18.900 916 2HB ASN 31 HB1 ASN 31 17.247 16.908 17.534 917 1HD2 ASN 31 HD21 ASN 31 17.688 14.663 19.666 918 2HD2 ASN 31 HD22 ASN 31 17.753 13.253 18.723 919 H SER 32 HN SER 32 19.889 18.593 18.914 920 HA SER 32 HA SER 32 18.675 20.954 17.882 921 1HB SER 32 HB2 SER 32 19.922 22.090 19.707 922 2HB SER 32 HB1 SER 32 19.045 20.669 20.268 923 HG SER 32 HG SER 32 20.921 20.019 20.949 924 H TYR 33 HN TYR 33 22.125 20.095 18.267 925 HA TYR 33 HA TYR 33 23.204 22.311 16.945 926 1HB TYR 33 HB2 TYR 33 24.541 20.714 18.270 927 2HB TYR 33 HB1 TYR 33 24.287 19.479 17.034 928 HD1 TYR 33 HD1 TYR 33 25.730 22.853 17.656 929 HD2 TYR 33 HD2 TYR 33 25.617 19.445 15.043 930 HE1 TYR 33 HE1 TYR 33 27.650 23.770 16.380 931 HE2 TYR 33 HE2 TYR 33 27.533 20.369 13.760 932 HH TYR 33 HH TYR 33 29.590 22.281 14.647 933 H TYR 34 HN TYR 34 22.336 19.111 15.646 934 HA TYR 34 HA TYR 34 23.126 19.528 12.987 935 1HB TYR 34 HB2 TYR 34 22.449 17.324 13.952 936 2HB TYR 34 HB1 TYR 34 20.775 17.875 13.958 937 HD1 TYR 34 HD1 TYR 34 19.655 18.483 11.778 938 HD2 TYR 34 HD2 TYR 34 23.490 16.552 11.941 939 HE1 TYR 34 HE1 TYR 34 19.427 17.833 9.397 940 HE2 TYR 34 HE2 TYR 34 23.263 15.909 9.554 941 HH TYR 34 HH TYR 34 21.298 15.518 7.935 942 H ARG 35 HN ARG 35 20.031 20.178 14.614 943 HA ARG 35 HA ARG 35 18.620 21.043 12.352 944 1HB ARG 35 HB2 ARG 35 17.673 20.483 14.638 945 2HB ARG 35 HB1 ARG 35 18.183 22.090 15.148 946 1HG ARG 35 HG2 ARG 35 15.901 22.326 14.447 947 2HG ARG 35 HG1 ARG 35 16.870 22.993 13.136 948 1HD ARG 35 HD2 ARG 35 16.275 20.068 12.887 949 2HD ARG 35 HD1 ARG 35 14.891 21.146 12.721 950 HE ARG 35 HE ARG 35 16.989 22.158 11.144 951 1HH1 ARG 35 HH21 ARG 35 14.861 19.443 11.415 952 2HH1 ARG 35 HH22 ARG 35 14.817 19.126 9.713 953 1HH2 ARG 35 HH11 ARG 35 16.925 21.757 8.903 954 2HH2 ARG 35 HH12 ARG 35 15.990 20.437 8.289 955 H SER 36 HN SER 36 20.780 22.704 14.558 956 HA SER 36 HA SER 36 20.214 25.343 13.571 957 1HB SER 36 HB2 SER 36 22.020 26.056 14.970 958 2HB SER 36 HB1 SER 36 21.171 24.783 15.844 959 HG SER 36 HG SER 36 23.723 24.864 14.912 960 H VAL 37 HN VAL 37 22.780 22.959 13.019 961 HA VAL 37 HA VAL 37 24.247 24.606 11.201 962 HB VAL 37 HB VAL 37 24.247 21.623 11.732 963 1HG1 VAL 37 HG11 VAL 37 26.389 21.596 10.415 964 2HG1 VAL 37 HG12 VAL 37 26.018 23.230 9.865 965 3HG1 VAL 37 HG13 VAL 37 24.961 21.893 9.431 966 1HG2 VAL 37 HG21 VAL 37 25.241 22.718 13.584 967 2HG2 VAL 37 HG22 VAL 37 25.982 23.963 12.577 968 3HG2 VAL 37 HG23 VAL 37 26.621 22.326 12.564 969 H VAL 38 HN VAL 38 22.213 21.727 10.635 970 HA VAL 38 HA VAL 38 22.240 21.706 7.891 971 HB VAL 38 HB VAL 38 21.073 20.086 9.497 972 1HG1 VAL 38 HG11 VAL 38 18.696 21.917 9.066 973 2HG1 VAL 38 HG12 VAL 38 19.685 21.964 10.517 974 3HG1 VAL 38 HG13 VAL 38 18.801 20.495 10.105 975 1HG2 VAL 38 HG21 VAL 38 20.892 19.669 7.159 976 2HG2 VAL 38 HG22 VAL 38 19.790 21.018 6.914 977 3HG2 VAL 38 HG23 VAL 38 19.246 19.574 7.770 978 H SER 39 HN SER 39 20.203 23.661 10.022 979 HA SER 39 HA SER 39 18.621 24.844 8.005 980 1HB SER 39 HB2 SER 39 17.990 24.877 10.379 981 2HB SER 39 HB1 SER 39 19.373 25.908 10.740 982 HG SER 39 HG SER 39 18.158 27.067 8.760 983 H THR 40 HN THR 40 21.715 25.705 9.459 984 HA THR 40 HA THR 40 21.909 28.248 8.172 985 HB THR 40 HB THR 40 24.040 26.491 9.414 986 HG1 THR 40 HG1 THR 40 23.616 27.593 11.205 987 1HG2 THR 40 HG21 THR 40 24.085 29.332 8.354 988 2HG2 THR 40 HG22 THR 40 25.170 27.999 7.952 989 3HG2 THR 40 HG23 THR 40 25.251 28.750 9.545 990 H LEU 41 HN LEU 41 23.195 25.015 7.497 991 HA LEU 41 HA LEU 41 24.792 25.654 5.298 992 1HB LEU 41 HB2 LEU 41 23.208 23.159 5.913 993 2HB LEU 41 HB1 LEU 41 24.387 23.259 4.605 994 HG LEU 41 HG LEU 41 24.990 23.804 7.529 995 1HD1 LEU 41 HD11 LEU 41 25.573 21.380 5.809 996 2HD1 LEU 41 HD12 LEU 41 24.467 21.439 7.171 997 3HD1 LEU 41 HD13 LEU 41 26.201 21.632 7.432 998 1HD2 LEU 41 HD21 LEU 41 27.417 23.349 6.431 999 2HD2 LEU 41 HD22 LEU 41 26.696 24.953 6.455 1000 3HD2 LEU 41 HD23 LEU 41 26.604 23.976 4.991 1001 H VAL 42 HN VAL 42 21.348 24.830 5.427 1002 HA VAL 42 HA VAL 42 20.993 25.051 2.587 1003 HB VAL 42 HB VAL 42 18.978 25.090 4.845 1004 1HG1 VAL 42 HG11 VAL 42 18.689 24.831 1.833 1005 2HG1 VAL 42 HG12 VAL 42 17.959 26.052 2.876 1006 3HG1 VAL 42 HG13 VAL 42 17.414 24.378 2.965 1007 1HG2 VAL 42 HG21 VAL 42 19.827 22.850 2.976 1008 2HG2 VAL 42 HG22 VAL 42 18.698 22.728 4.327 1009 3HG2 VAL 42 HG23 VAL 42 20.408 23.028 4.632 1010 H GLN 43 HN GLN 43 20.748 27.225 5.327 1011 HA GLN 43 HA GLN 43 19.416 29.319 3.857 1012 1HB GLN 43 HB2 GLN 43 19.251 29.019 6.349 1013 2HB GLN 43 HB1 GLN 43 20.926 29.547 6.469 1014 1HG GLN 43 HG2 GLN 43 19.527 31.471 6.862 1015 2HG GLN 43 HG1 GLN 43 20.257 31.669 5.271 1016 1HE2 GLN 43 HE21 GLN 43 18.584 32.833 4.210 1017 2HE2 GLN 43 HE22 GLN 43 17.013 32.225 4.005 1018 H ASP 44 HN ASP 44 22.718 28.489 4.707 1019 HA ASP 44 HA ASP 44 24.175 30.733 4.296 1020 1HB ASP 44 HB2 ASP 44 24.710 27.947 3.241 1021 2HB ASP 44 HB1 ASP 44 25.902 29.240 3.139 1022 H GLN 45 HN GLN 45 23.585 28.545 1.540 1023 HA GLN 45 HA GLN 45 22.539 30.545 -0.162 1024 1HB GLN 45 HB2 GLN 45 24.495 30.784 -1.677 1025 2HB GLN 45 HB1 GLN 45 24.779 31.495 -0.091 1026 1HG GLN 45 HG2 GLN 45 25.915 29.378 0.609 1027 2HG GLN 45 HG1 GLN 45 25.730 28.775 -1.035 1028 1HE2 GLN 45 HE21 GLN 45 26.853 30.035 -2.781 1029 2HE2 GLN 45 HE22 GLN 45 28.239 30.932 -2.387 1030 H LEU 46 HN LEU 46 21.702 29.634 -1.985 1031 HA LEU 46 HA LEU 46 22.046 26.718 -2.290 1032 1HB LEU 46 HB2 LEU 46 19.953 28.695 -3.226 1033 2HB LEU 46 HB1 LEU 46 20.033 27.060 -3.883 1034 HG LEU 46 HG LEU 46 19.894 26.166 -1.547 1035 1HD1 LEU 46 HD11 LEU 46 19.654 29.114 -0.912 1036 2HD1 LEU 46 HD12 LEU 46 20.672 27.893 -0.150 1037 3HD1 LEU 46 HD13 LEU 46 18.938 27.895 0.148 1038 1HD2 LEU 46 HD21 LEU 46 17.890 26.366 -2.977 1039 2HD2 LEU 46 HD22 LEU 46 17.632 28.007 -2.383 1040 3HD2 LEU 46 HD23 LEU 46 17.490 26.639 -1.280 1041 H THR 47 HN THR 47 24.269 28.039 -3.107 1042 HA THR 47 HA THR 47 24.310 28.859 -5.787 1043 HB THR 47 HB THR 47 26.176 29.361 -4.357 1044 HG1 THR 47 HG1 THR 47 26.380 28.226 -6.702 1045 1HG2 THR 47 HG21 THR 47 27.602 27.605 -3.424 1046 2HG2 THR 47 HG22 THR 47 26.609 26.370 -4.187 1047 3HG2 THR 47 HG23 THR 47 25.941 27.354 -2.893 1048 H LYS 48 HN LYS 48 24.542 25.689 -4.293 1049 HA LYS 48 HA LYS 48 23.773 24.378 -6.724 1050 1HB LYS 48 HB2 LYS 48 26.206 24.829 -7.145 1051 2HB LYS 48 HB1 LYS 48 26.576 23.850 -5.730 1052 1HG LYS 48 HG2 LYS 48 25.528 21.915 -6.730 1053 2HG LYS 48 HG1 LYS 48 25.008 22.861 -8.118 1054 1HD LYS 48 HD2 LYS 48 27.379 23.298 -8.677 1055 2HD LYS 48 HD1 LYS 48 27.873 22.315 -7.298 1056 1HE LYS 48 HE2 LYS 48 26.679 20.374 -8.274 1057 2HE LYS 48 HE1 LYS 48 26.255 21.358 -9.673 1058 1HZ LYS 48 HZ1 LYS 48 28.339 19.897 -9.819 1059 2HZ LYS 48 HZ2 LYS 48 29.070 21.069 -8.829 1060 3HZ LYS 48 HZ3 LYS 48 28.456 21.504 -10.352 1061 H ASN 49 HN ASN 49 22.660 22.619 -6.175 1062 HA ASN 49 HA ASN 49 22.108 21.828 -3.608 1063 1HB ASN 49 HB2 ASN 49 21.440 19.611 -4.614 1064 2HB ASN 49 HB1 ASN 49 20.734 21.030 -5.391 1065 1HD2 ASN 49 HD21 ASN 49 20.601 19.257 -7.218 1066 2HD2 ASN 49 HD22 ASN 49 21.930 19.185 -8.269 1067 H ALA 50 HN ALA 50 24.783 20.818 -5.656 1068 HA ALA 50 HA ALA 50 25.680 18.665 -4.068 1069 1HB ALA 50 HB1 ALA 50 26.384 18.995 -6.377 1070 2HB ALA 50 HB2 ALA 50 27.765 18.855 -5.290 1071 3HB ALA 50 HB3 ALA 50 27.276 20.438 -5.899 1072 H VAL 51 HN VAL 51 26.715 22.063 -4.240 1073 HA VAL 51 HA VAL 51 28.737 22.042 -2.347 1074 HB VAL 51 HB VAL 51 26.726 24.156 -3.105 1075 1HG1 VAL 51 HG11 VAL 51 28.364 25.738 -1.840 1076 2HG1 VAL 51 HG12 VAL 51 28.899 24.287 -0.992 1077 3HG1 VAL 51 HG13 VAL 51 27.221 24.812 -0.865 1078 1HG2 VAL 51 HG21 VAL 51 28.579 25.127 -4.293 1079 2HG2 VAL 51 HG22 VAL 51 28.605 23.405 -4.670 1080 3HG2 VAL 51 HG23 VAL 51 29.733 24.067 -3.489 1081 H VAL 52 HN VAL 52 25.246 22.412 -1.806 1082 HA VAL 52 HA VAL 52 25.581 22.544 1.071 1083 HB VAL 52 HB VAL 52 23.073 22.490 1.080 1084 1HG1 VAL 52 HG11 VAL 52 22.826 24.684 -0.049 1085 2HG1 VAL 52 HG12 VAL 52 24.377 24.443 -0.854 1086 3HG1 VAL 52 HG13 VAL 52 24.310 24.619 0.900 1087 1HG2 VAL 52 HG21 VAL 52 21.968 22.690 -1.163 1088 2HG2 VAL 52 HG22 VAL 52 22.705 21.110 -0.901 1089 3HG2 VAL 52 HG23 VAL 52 23.510 22.302 -1.913 1090 H LEU 53 HN LEU 53 24.653 20.150 -1.332 1091 HA LEU 53 HA LEU 53 23.718 18.192 0.459 1092 1HB LEU 53 HB2 LEU 53 23.281 18.028 -1.945 1093 2HB LEU 53 HB1 LEU 53 25.000 17.851 -2.250 1094 HG LEU 53 HG LEU 53 25.026 15.731 -1.025 1095 1HD1 LEU 53 HD11 LEU 53 23.394 15.869 0.636 1096 2HD1 LEU 53 HD12 LEU 53 22.593 14.817 -0.526 1097 3HD1 LEU 53 HD13 LEU 53 22.174 16.532 -0.447 1098 1HD2 LEU 53 HD21 LEU 53 24.578 15.651 -3.415 1099 2HD2 LEU 53 HD22 LEU 53 22.856 15.920 -3.132 1100 3HD2 LEU 53 HD23 LEU 53 23.616 14.425 -2.590 1101 H LYS 54 HN LYS 54 26.925 18.688 -0.986 1102 HA LYS 54 HA LYS 54 28.225 16.473 0.069 1103 1HB LYS 54 HB2 LYS 54 30.241 17.548 -0.536 1104 2HB LYS 54 HB1 LYS 54 29.058 18.341 -1.573 1105 1HG LYS 54 HG2 LYS 54 28.860 20.133 0.168 1106 2HG LYS 54 HG1 LYS 54 30.202 19.412 1.025 1107 1HD LYS 54 HD2 LYS 54 31.626 19.702 -0.932 1108 2HD LYS 54 HD1 LYS 54 30.284 20.428 -1.811 1109 1HE LYS 54 HE2 LYS 54 31.722 22.187 -0.869 1110 2HE LYS 54 HE1 LYS 54 30.144 22.213 -0.084 1111 1HZ LYS 54 HZ1 LYS 54 31.051 21.712 1.867 1112 2HZ LYS 54 HZ2 LYS 54 32.565 22.028 1.164 1113 3HZ LYS 54 HZ3 LYS 54 31.965 20.439 1.216 1114 H ARG 55 HN ARG 55 27.623 19.633 1.511 1115 HA ARG 55 HA ARG 55 29.128 19.239 3.868 1116 1HB ARG 55 HB2 ARG 55 26.795 21.065 3.219 1117 2HB ARG 55 HB1 ARG 55 27.655 21.118 4.755 1118 1HG ARG 55 HG2 ARG 55 29.263 21.285 2.203 1119 2HG ARG 55 HG1 ARG 55 28.405 22.721 2.762 1120 1HD ARG 55 HD2 ARG 55 29.552 22.628 4.905 1121 2HD ARG 55 HD1 ARG 55 30.341 21.118 4.463 1122 HE ARG 55 HE ARG 55 31.016 22.952 2.493 1123 1HH1 ARG 55 HH21 ARG 55 31.329 22.575 5.918 1124 2HH1 ARG 55 HH22 ARG 55 32.821 23.451 6.019 1125 1HH2 ARG 55 HH11 ARG 55 32.972 24.104 2.616 1126 2HH2 ARG 55 HH12 ARG 55 33.750 24.318 4.148 1127 H ILE 56 HN ILE 56 25.799 18.544 2.988 1128 HA ILE 56 HA ILE 56 24.935 17.857 5.596 1129 HB ILE 56 HB ILE 56 23.920 17.009 2.869 1130 1HG1 ILE 56 HG12 ILE 56 23.897 19.522 3.683 1131 2HG1 ILE 56 HG11 ILE 56 22.434 18.842 2.981 1132 1HG2 ILE 56 HG21 ILE 56 23.046 15.373 4.356 1133 2HG2 ILE 56 HG22 ILE 56 21.765 16.581 4.254 1134 3HG2 ILE 56 HG23 ILE 56 22.830 16.549 5.657 1135 1HD1 ILE 56 HD11 ILE 56 22.223 20.174 5.190 1136 2HD1 ILE 56 HD12 ILE 56 22.910 18.745 5.960 1137 3HD1 ILE 56 HD13 ILE 56 21.395 18.625 5.076 1138 H GLN 57 HN GLN 57 26.083 15.882 2.876 1139 HA GLN 57 HA GLN 57 25.841 13.384 4.070 1140 1HB GLN 57 HB2 GLN 57 27.897 14.387 2.088 1141 2HB GLN 57 HB1 GLN 57 27.641 12.688 2.487 1142 1HG GLN 57 HG2 GLN 57 25.297 12.859 1.742 1143 2HG GLN 57 HG1 GLN 57 25.545 14.559 1.348 1144 1HE2 GLN 57 HE21 GLN 57 24.798 13.428 -0.867 1145 2HE2 GLN 57 HE22 GLN 57 26.074 12.933 -1.871 1146 H HIS 58 HN HIS 58 28.487 15.733 4.210 1147 HA HIS 58 HA HIS 58 30.239 14.090 5.740 1148 1HB HIS 58 HB2 HIS 58 30.127 17.097 5.373 1149 2HB HIS 58 HB1 HIS 58 31.439 16.240 6.185 1150 HD1 HIS 58 HD1 HIS 58 31.738 13.815 4.327 1151 HD2 HIS 58 HD2 HIS 58 31.322 17.722 2.936 1152 HE1 HIS 58 HE1 HIS 58 32.712 13.850 1.989 1153 HE2 HIS 58 HE2 HIS 58 32.466 16.227 1.127 1154 H LEU 59 HN LEU 59 27.796 16.506 6.545 1155 HA LEU 59 HA LEU 59 28.360 16.857 9.233 1156 1HB LEU 59 HB2 LEU 59 26.438 17.827 7.598 1157 2HB LEU 59 HB1 LEU 59 25.462 16.655 8.473 1158 HG LEU 59 HG LEU 59 27.129 18.872 9.694 1159 1HD1 LEU 59 HD11 LEU 59 24.923 19.716 10.428 1160 2HD1 LEU 59 HD12 LEU 59 24.148 18.422 9.520 1161 3HD1 LEU 59 HD13 LEU 59 25.066 19.662 8.671 1162 1HD2 LEU 59 HD21 LEU 59 25.624 16.550 10.904 1163 2HD2 LEU 59 HD22 LEU 59 25.810 18.060 11.810 1164 3HD2 LEU 59 HD23 LEU 59 27.227 17.163 11.281 1165 H ASP 60 HN ASP 60 26.636 14.239 7.629 1166 HA ASP 60 HA ASP 60 25.473 12.958 9.799 1167 1HB ASP 60 HB2 ASP 60 26.725 11.768 7.316 1168 2HB ASP 60 HB1 ASP 60 25.701 10.875 8.436 1169 H GLU 61 HN GLU 61 28.808 13.150 8.849 1170 HA GLU 61 HA GLU 61 29.801 10.925 10.291 1171 1HB GLU 61 HB2 GLU 61 31.923 11.727 9.722 1172 2HB GLU 61 HB1 GLU 61 30.934 12.531 8.507 1173 1HG GLU 61 HG2 GLU 61 30.797 14.515 10.151 1174 2HG GLU 61 HG1 GLU 61 32.070 13.719 11.061 1175 H ALA 62 HN ALA 62 29.173 14.285 11.179 1176 HA ALA 62 HA ALA 62 30.389 14.103 13.759 1177 1HB ALA 62 HB1 ALA 62 29.917 16.226 12.337 1178 2HB ALA 62 HB2 ALA 62 29.666 16.332 14.076 1179 3HB ALA 62 HB3 ALA 62 28.290 16.133 13.004 1180 H TYR 63 HN TYR 63 27.014 14.249 12.659 1181 HA TYR 63 HA TYR 63 25.766 13.974 15.095 1182 1HB TYR 63 HB2 TYR 63 24.097 14.231 13.548 1183 2HB TYR 63 HB1 TYR 63 25.063 13.492 12.274 1184 HD1 TYR 63 HD2 TYR 63 25.136 11.013 12.022 1185 HD2 TYR 63 HD1 TYR 63 22.520 12.921 14.838 1186 HE1 TYR 63 HE2 TYR 63 23.844 8.908 12.245 1187 HE2 TYR 63 HE1 TYR 63 21.236 10.812 15.079 1188 HH TYR 63 HH TYR 63 22.291 7.935 14.304 1189 H ASN 64 HN ASN 64 27.160 11.482 13.007 1190 HA ASN 64 HA ASN 64 26.237 9.258 14.538 1191 1HB ASN 64 HB2 ASN 64 26.857 9.060 12.163 1192 2HB ASN 64 HB1 ASN 64 28.534 9.423 12.567 1193 1HD2 ASN 64 HD21 ASN 64 29.275 7.288 11.883 1194 2HD2 ASN 64 HD22 ASN 64 28.919 5.899 12.791 1195 H LYS 65 HN LYS 65 29.166 11.201 14.485 1196 HA LYS 65 HA LYS 65 30.741 9.607 16.171 1197 1HB LYS 65 HB2 LYS 65 30.704 12.541 15.518 1198 2HB LYS 65 HB1 LYS 65 31.823 11.928 16.727 1199 1HG LYS 65 HG2 LYS 65 31.689 10.508 14.064 1200 2HG LYS 65 HG1 LYS 65 32.540 12.048 14.144 1201 1HD LYS 65 HD2 LYS 65 33.952 11.181 15.964 1202 2HD LYS 65 HD1 LYS 65 33.089 9.644 15.910 1203 1HE LYS 65 HE2 LYS 65 33.802 9.321 13.581 1204 2HE LYS 65 HE1 LYS 65 34.659 10.863 13.629 1205 1HZ LYS 65 HZ1 LYS 65 35.684 9.717 15.768 1206 2HZ LYS 65 HZ2 LYS 65 36.353 9.514 14.220 1207 3HZ LYS 65 HZ3 LYS 65 35.339 8.319 14.874 1208 H VAL 66 HN VAL 66 28.181 11.886 16.853 1209 HA VAL 66 HA VAL 66 28.712 12.206 19.606 1210 HB VAL 66 HB VAL 66 26.099 12.396 18.074 1211 1HG1 VAL 66 HG11 VAL 66 25.554 12.114 20.400 1212 2HG1 VAL 66 HG12 VAL 66 25.438 13.839 20.054 1213 3HG1 VAL 66 HG13 VAL 66 26.850 13.203 20.896 1214 1HG2 VAL 66 HG21 VAL 66 28.190 14.427 18.899 1215 2HG2 VAL 66 HG22 VAL 66 26.583 14.855 18.310 1216 3HG2 VAL 66 HG23 VAL 66 27.704 13.998 17.262 1217 H LYS 67 HN LYS 67 26.215 10.212 18.025 1218 HA LYS 67 HA LYS 67 25.612 8.765 20.396 1219 1HB LYS 67 HB2 LYS 67 25.100 8.038 17.508 1220 2HB LYS 67 HB1 LYS 67 24.356 7.281 18.915 1221 1HG LYS 67 HG2 LYS 67 23.665 9.790 19.530 1222 2HG LYS 67 HG1 LYS 67 23.924 10.056 17.803 1223 1HD LYS 67 HD2 LYS 67 22.087 7.988 19.017 1224 2HD LYS 67 HD1 LYS 67 21.575 9.519 18.299 1225 1HE LYS 67 HE2 LYS 67 22.698 8.765 16.147 1226 2HE LYS 67 HE1 LYS 67 22.913 7.185 16.897 1227 1HZ LYS 67 HZ1 LYS 67 20.347 7.555 17.367 1228 2HZ LYS 67 HZ2 LYS 67 20.919 6.836 15.938 1229 3HZ LYS 67 HZ3 LYS 67 20.483 8.477 15.950 1230 H ARG 68 HN ARG 68 27.565 8.022 17.545 1231 HA ARG 68 HA ARG 68 28.238 5.408 18.152 1232 1HB ARG 68 HB2 ARG 68 28.808 6.537 16.008 1233 2HB ARG 68 HB1 ARG 68 30.014 7.495 16.860 1234 1HG ARG 68 HG2 ARG 68 31.056 5.599 15.725 1235 2HG ARG 68 HG1 ARG 68 31.225 5.439 17.468 1236 1HD ARG 68 HD2 ARG 68 29.703 3.660 17.587 1237 2HD ARG 68 HD1 ARG 68 28.832 4.173 16.145 1238 HE ARG 68 HE ARG 68 31.445 3.411 15.425 1239 1HH1 ARG 68 HH21 ARG 68 28.450 2.158 16.620 1240 2HH1 ARG 68 HH22 ARG 68 28.652 0.596 15.899 1241 1HH2 ARG 68 HH11 ARG 68 31.722 1.359 14.477 1242 2HH2 ARG 68 HH12 ARG 68 30.507 0.144 14.685 1243 H GLY 69 HN GLY 69 29.244 8.354 19.639 1244 1HA GLY 69 HA2 GLY 69 31.570 7.166 20.944 1245 2HA GLY 69 HA1 GLY 69 31.003 8.826 21.099 1246 H GLU 70 HN GLU 70 28.256 7.226 21.438 1247 HA GLU 70 HA GLU 70 28.469 7.113 24.387 1248 1HB GLU 70 HB2 GLU 70 26.055 7.315 22.566 1249 2HB GLU 70 HB1 GLU 70 26.007 7.269 24.332 1250 1HG GLU 70 HG2 GLU 70 27.594 9.340 22.794 1251 2HG GLU 70 HG1 GLU 70 25.933 9.606 23.298 1252 H SER 71 HN SER 71 26.828 5.498 25.337 1253 HA SER 71 HA SER 71 26.429 3.044 23.871 1254 1HB SER 71 HB2 SER 71 28.827 2.842 24.432 1255 2HB SER 71 HB1 SER 71 28.444 3.081 26.134 1256 HG SER 71 HG SER 71 28.576 0.870 25.627 1257 H LYS 72 HN LYS 72 25.855 1.267 25.652 1258 HA LYS 72 HA LYS 72 23.662 2.440 27.191 1259 1HB LYS 72 HB2 LYS 72 24.447 -0.475 26.885 1260 2HB LYS 72 HB1 LYS 72 22.910 0.160 27.476 1261 1HG LYS 72 HG2 LYS 72 24.013 0.609 24.685 1262 2HG LYS 72 HG1 LYS 72 22.766 -0.566 25.104 1263 1HD LYS 72 HD2 LYS 72 21.472 1.482 26.099 1264 2HD LYS 72 HD1 LYS 72 22.593 2.461 25.153 1265 1HE LYS 72 HE2 LYS 72 20.794 0.298 24.047 1266 2HE LYS 72 HE1 LYS 72 20.533 2.038 23.899 1267 1HZ LYS 72 HZ1 LYS 72 21.630 1.661 21.970 1268 2HZ LYS 72 HZ2 LYS 72 22.498 0.333 22.573 1269 3HZ LYS 72 HZ3 LYS 72 22.978 1.914 22.969 1270 H LEU 73 HN LEU 73 26.585 0.520 27.768 1271 HA LEU 73 HA LEU 73 26.280 0.148 30.510 1272 1HB LEU 73 HB2 LEU 73 28.665 0.327 28.690 1273 2HB LEU 73 HB1 LEU 73 28.909 0.140 30.427 1274 HG LEU 73 HG LEU 73 28.870 -2.011 29.204 1275 1HD1 LEU 73 HD11 LEU 73 27.911 -3.098 30.988 1276 2HD1 LEU 73 HD12 LEU 73 26.385 -2.227 30.840 1277 3HD1 LEU 73 HD13 LEU 73 27.749 -1.475 31.663 1278 1HD2 LEU 73 HD21 LEU 73 26.906 -2.837 28.107 1279 2HD2 LEU 73 HD22 LEU 73 27.115 -1.190 27.509 1280 3HD2 LEU 73 HD23 LEU 73 25.915 -1.529 28.755 1281 H GLU 74 HN GLU 74 27.993 2.744 28.807 1282 HA GLU 74 HA GLU 74 28.646 4.823 29.499 1283 1HB GLU 74 HB2 GLU 74 26.174 4.476 31.209 1284 2HB GLU 74 HB1 GLU 74 27.031 5.999 31.000 1285 1HG GLU 74 HG2 GLU 74 26.630 5.920 28.584 1286 2HG GLU 74 HG1 GLU 74 25.838 4.356 28.756 1287 H HIS 75 HN HIS 75 30.319 3.127 30.556 1288 HA HIS 75 HA HIS 75 30.393 2.870 33.362 1289 1HB HIS 75 HB2 HIS 75 31.786 1.536 31.790 1290 2HB HIS 75 HB1 HIS 75 32.735 2.982 31.445 1291 HD1 HIS 75 HD1 HIS 75 31.735 0.850 34.444 1292 HD2 HIS 75 HD2 HIS 75 34.804 3.402 33.241 1293 HE1 HIS 75 HE1 HIS 75 33.492 0.766 36.265 1294 HE2 HIS 75 HE2 HIS 75 35.370 2.316 35.547 1295 H HIS 76 HN HIS 76 32.175 3.874 34.720 1296 HA HIS 76 HA HIS 76 31.839 6.736 34.695 1297 1HB HIS 76 HB2 HIS 76 33.579 4.954 36.419 1298 2HB HIS 76 HB1 HIS 76 33.282 6.669 36.702 1299 HD1 HIS 76 HD1 HIS 76 30.586 7.282 36.894 1300 HD2 HIS 76 HD2 HIS 76 31.699 3.333 37.635 1301 HE1 HIS 76 HE1 HIS 76 28.664 6.220 38.157 1302 HE2 HIS 76 HE2 HIS 76 29.328 3.812 38.616 1303 H HIS 77 HN HIS 77 32.845 6.651 32.380 1304 HA HIS 77 HA HIS 77 35.629 6.352 32.049 1305 1HB HIS 77 HB2 HIS 77 33.991 6.450 30.178 1306 2HB HIS 77 HB1 HIS 77 33.761 8.168 30.505 1307 HD1 HIS 77 HD1 HIS 77 35.641 9.783 29.807 1308 HD2 HIS 77 HD2 HIS 77 36.560 5.783 29.074 1309 HE1 HIS 77 HE1 HIS 77 37.728 9.779 28.370 1310 HE2 HIS 77 HE2 HIS 77 38.300 7.347 27.915 1311 H HIS 78 HN HIS 78 33.631 9.175 32.839 1312 HA HIS 78 HA HIS 78 34.185 11.282 33.587 1313 1HB HIS 78 HB2 HIS 78 36.449 9.682 34.808 1314 2HB HIS 78 HB1 HIS 78 36.048 11.342 35.247 1315 HD1 HIS 78 HD1 HIS 78 35.760 9.619 37.575 1316 HD2 HIS 78 HD2 HIS 78 32.701 9.829 34.750 1317 HE1 HIS 78 HE1 HIS 78 33.654 8.831 38.739 1318 HE2 HIS 78 HE2 HIS 78 31.779 8.955 37.030 1319 H HIS 79 HN HIS 79 36.524 12.618 33.982 1320 HA HIS 79 HA HIS 79 38.230 12.331 31.625 1321 1HB HIS 79 HB2 HIS 79 36.510 14.785 32.076 1322 2HB HIS 79 HB1 HIS 79 37.808 14.655 30.887 1323 HD1 HIS 79 HD1 HIS 79 34.348 13.384 31.647 1324 HD2 HIS 79 HD2 HIS 79 37.183 13.089 28.604 1325 HE1 HIS 79 HE1 HIS 79 33.177 12.303 29.678 1326 HE2 HIS 79 HE2 HIS 79 34.892 12.116 27.814 1327 H HIS 80 HN HIS 80 39.132 11.906 34.073 1328 HA HIS 80 HA HIS 80 41.131 13.896 34.420 1329 1HB HIS 80 HB2 HIS 80 40.478 14.585 36.739 1330 2HB HIS 80 HB1 HIS 80 39.386 15.184 35.489 1331 HD1 HIS 80 HD1 HIS 80 39.618 12.570 38.206 1332 HD2 HIS 80 HD2 HIS 80 36.764 14.153 35.613 1333 HE1 HIS 80 HE1 HIS 80 37.380 11.655 38.958 1334 HE2 HIS 80 HE2 HIS 80 35.629 12.611 37.387 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -1.152 -3.581 -0.443 2 2H MET 1 HT2 MET 1 -2.012 -5.038 -0.301 3 3H MET 1 HT3 MET 1 -2.505 -3.669 0.576 4 HA MET 1 HA MET 1 -2.972 -4.368 -2.204 5 1HB MET 1 HB2 MET 1 -4.384 -2.694 -0.106 6 2HB MET 1 HB1 MET 1 -5.015 -2.997 -1.725 7 1HG MET 1 HG2 MET 1 -5.007 -5.418 -1.297 8 2HG MET 1 HG1 MET 1 -4.324 -5.141 0.306 9 1HE MET 1 HE1 MET 1 -7.374 -5.609 -1.776 10 2HE MET 1 HE2 MET 1 -7.208 -3.875 -2.038 11 3HE MET 1 HE3 MET 1 -8.602 -4.495 -1.157 12 H SER 2 HN SER 2 -2.827 -1.317 -0.351 13 HA SER 2 HA SER 2 -1.051 -0.052 -2.219 14 1HB SER 2 HB2 SER 2 -3.138 -0.020 -3.548 15 2HB SER 2 HB1 SER 2 -3.949 0.831 -2.236 16 HG SER 2 HG SER 2 -1.920 2.273 -2.549 17 H GLU 3 HN GLU 3 -3.816 1.309 -0.454 18 HA GLU 3 HA GLU 3 -3.909 2.906 1.188 19 1HB GLU 3 HB2 GLU 3 -3.132 0.851 2.448 20 2HB GLU 3 HB1 GLU 3 -1.490 1.474 2.309 21 1HG GLU 3 HG2 GLU 3 -2.312 2.203 4.449 22 2HG GLU 3 HG1 GLU 3 -2.330 3.618 3.402 23 H LEU 4 HN LEU 4 -3.251 4.548 -0.390 24 HA LEU 4 HA LEU 4 -0.943 5.995 0.568 25 1HB LEU 4 HB2 LEU 4 -0.261 4.239 -1.336 26 2HB LEU 4 HB1 LEU 4 -0.877 5.505 -2.399 27 HG LEU 4 HG LEU 4 1.267 5.847 -0.284 28 1HD1 LEU 4 HD11 LEU 4 1.392 5.767 -3.310 29 2HD1 LEU 4 HD12 LEU 4 2.087 4.593 -2.193 30 3HD1 LEU 4 HD13 LEU 4 2.737 6.230 -2.265 31 1HD2 LEU 4 HD21 LEU 4 -0.050 7.790 -2.207 32 2HD2 LEU 4 HD22 LEU 4 1.531 8.113 -1.487 33 3HD2 LEU 4 HD23 LEU 4 0.113 7.933 -0.455 34 H PHE 5 HN PHE 5 -2.074 7.784 0.993 35 HA PHE 5 HA PHE 5 -3.936 8.877 -1.016 36 1HB PHE 5 HB2 PHE 5 -3.353 9.626 1.864 37 2HB PHE 5 HB1 PHE 5 -4.485 10.493 0.824 38 HD1 PHE 5 HD1 PHE 5 -6.550 9.409 0.011 39 HD2 PHE 5 HD2 PHE 5 -3.883 7.396 2.713 40 HE1 PHE 5 HE1 PHE 5 -8.316 7.742 0.513 41 HE2 PHE 5 HE2 PHE 5 -5.651 5.730 3.215 42 HZ PHE 5 HZ PHE 5 -7.866 5.903 2.115 43 H SER 6 HN SER 6 -1.830 9.188 -2.328 44 HA SER 6 HA SER 6 -0.260 10.592 -3.233 45 1HB SER 6 HB2 SER 6 -2.205 11.990 -3.615 46 2HB SER 6 HB1 SER 6 -2.155 12.591 -1.965 47 HG SER 6 HG SER 6 -1.192 13.981 -3.617 48 H VAL 7 HN VAL 7 0.712 13.081 -2.327 49 HA VAL 7 HA VAL 7 2.790 12.363 -0.619 50 HB VAL 7 HB VAL 7 1.553 14.978 -1.423 51 1HG1 VAL 7 HG11 VAL 7 2.057 15.529 0.872 52 2HG1 VAL 7 HG12 VAL 7 3.392 16.149 -0.072 53 3HG1 VAL 7 HG13 VAL 7 3.575 14.640 0.813 54 1HG2 VAL 7 HG21 VAL 7 3.738 15.390 -2.385 55 2HG2 VAL 7 HG22 VAL 7 3.193 13.781 -2.859 56 3HG2 VAL 7 HG23 VAL 7 4.400 13.962 -1.587 57 HA PRO 8 HA PRO 8 0.064 14.590 2.950 58 1HB PRO 8 HB2 PRO 8 -2.456 13.163 2.220 59 2HB PRO 8 HB1 PRO 8 -2.235 14.818 2.809 60 1HG PRO 8 HG2 PRO 8 -2.661 13.991 0.120 61 2HG PRO 8 HG1 PRO 8 -2.264 15.626 0.685 62 1HD PRO 8 HD2 PRO 8 -0.581 13.968 -0.875 63 2HD PRO 8 HD1 PRO 8 -0.117 15.453 -0.042 64 H TYR 9 HN TYR 9 -0.098 11.416 1.515 65 HA TYR 9 HA TYR 9 -0.763 9.897 3.786 66 1HB TYR 9 HB2 TYR 9 -0.763 8.960 1.531 67 2HB TYR 9 HB1 TYR 9 0.983 9.198 1.414 68 HD1 TYR 9 HD2 TYR 9 -1.620 7.518 3.503 69 HD2 TYR 9 HD1 TYR 9 2.462 7.492 2.158 70 HE1 TYR 9 HE2 TYR 9 -1.262 5.338 4.626 71 HE2 TYR 9 HE1 TYR 9 2.814 5.307 3.276 72 HH TYR 9 HH TYR 9 1.566 4.116 5.407 73 H PHE 10 HN PHE 10 2.364 11.016 2.534 74 HA PHE 10 HA PHE 10 4.030 9.678 4.327 75 1HB PHE 10 HB2 PHE 10 4.271 11.870 2.413 76 2HB PHE 10 HB1 PHE 10 5.232 12.230 3.843 77 HD1 PHE 10 HD1 PHE 10 4.411 9.111 1.901 78 HD2 PHE 10 HD2 PHE 10 7.490 11.622 3.539 79 HE1 PHE 10 HE1 PHE 10 6.136 7.520 1.099 80 HE2 PHE 10 HE2 PHE 10 9.212 10.032 2.738 81 HZ PHE 10 HZ PHE 10 8.538 7.982 1.520 82 H ILE 11 HN ILE 11 2.528 12.890 4.607 83 HA ILE 11 HA ILE 11 3.638 13.498 7.116 84 HB ILE 11 HB ILE 11 0.997 14.449 6.011 85 1HG1 ILE 11 HG12 ILE 11 3.822 15.504 5.572 86 2HG1 ILE 11 HG11 ILE 11 2.805 14.741 4.352 87 1HG2 ILE 11 HG21 ILE 11 1.352 16.377 7.419 88 2HG2 ILE 11 HG22 ILE 11 2.965 15.833 7.864 89 3HG2 ILE 11 HG23 ILE 11 1.544 14.962 8.441 90 1HD1 ILE 11 HD11 ILE 11 1.092 16.576 4.806 91 2HD1 ILE 11 HD12 ILE 11 2.581 17.099 4.020 92 3HD1 ILE 11 HD13 ILE 11 2.349 17.385 5.744 93 H GLU 12 HN GLU 12 0.553 12.014 6.193 94 HA GLU 12 HA GLU 12 -0.661 11.808 8.679 95 1HB GLU 12 HB2 GLU 12 -0.722 9.995 6.264 96 2HB GLU 12 HB1 GLU 12 -1.708 9.666 7.686 97 1HG GLU 12 HG2 GLU 12 -2.839 11.793 7.467 98 2HG GLU 12 HG1 GLU 12 -1.761 12.289 6.170 99 H ASN 13 HN ASN 13 2.080 10.075 7.437 100 HA ASN 13 HA ASN 13 1.991 7.883 9.265 101 1HB ASN 13 HB2 ASN 13 3.290 7.927 7.113 102 2HB ASN 13 HB1 ASN 13 4.423 9.033 7.883 103 1HD2 ASN 13 HD21 ASN 13 2.940 5.790 8.409 104 2HD2 ASN 13 HD22 ASN 13 4.308 5.133 9.169 105 H LEU 14 HN LEU 14 3.421 11.101 9.323 106 HA LEU 14 HA LEU 14 4.985 10.727 11.681 107 1HB LEU 14 HB2 LEU 14 3.968 13.182 10.236 108 2HB LEU 14 HB1 LEU 14 4.904 13.297 11.724 109 HG LEU 14 HG LEU 14 6.744 12.020 10.674 110 1HD1 LEU 14 HD11 LEU 14 6.514 11.834 8.061 111 2HD1 LEU 14 HD12 LEU 14 4.792 11.901 8.391 112 3HD1 LEU 14 HD13 LEU 14 5.764 10.606 9.081 113 1HD2 LEU 14 HD21 LEU 14 7.007 14.380 10.480 114 2HD2 LEU 14 HD22 LEU 14 5.749 14.512 9.250 115 3HD2 LEU 14 HD23 LEU 14 7.305 13.776 8.856 116 H LYS 15 HN LYS 15 1.684 11.821 11.075 117 HA LYS 15 HA LYS 15 1.121 12.770 13.646 118 1HB LYS 15 HB2 LYS 15 -0.684 11.523 11.566 119 2HB LYS 15 HB1 LYS 15 -1.267 12.313 13.033 120 1HG LYS 15 HG2 LYS 15 -0.149 14.404 12.365 121 2HG LYS 15 HG1 LYS 15 0.453 13.620 10.902 122 1HD LYS 15 HD2 LYS 15 -1.896 13.175 10.208 123 2HD LYS 15 HD1 LYS 15 -2.458 14.048 11.633 124 1HE LYS 15 HE2 LYS 15 -0.654 15.256 9.516 125 2HE LYS 15 HE1 LYS 15 -2.407 15.454 9.551 126 1HZ LYS 15 HZ1 LYS 15 -1.281 17.304 10.623 127 2HZ LYS 15 HZ2 LYS 15 -0.538 16.241 11.721 128 3HZ LYS 15 HZ3 LYS 15 -2.225 16.444 11.740 129 H GLN 16 HN GLN 16 0.965 9.519 12.258 130 HA GLN 16 HA GLN 16 -0.345 8.198 14.337 131 1HB GLN 16 HB2 GLN 16 0.191 7.173 12.156 132 2HB GLN 16 HB1 GLN 16 1.896 7.137 12.609 133 1HG GLN 16 HG2 GLN 16 1.446 5.640 14.458 134 2HG GLN 16 HG1 GLN 16 -0.295 5.800 14.227 135 1HE2 GLN 16 HE21 GLN 16 -0.938 3.760 13.488 136 2HE2 GLN 16 HE22 GLN 16 -0.227 2.951 12.176 137 H HIS 17 HN HIS 17 2.889 9.458 14.167 138 HA HIS 17 HA HIS 17 3.951 7.890 16.337 139 1HB HIS 17 HB2 HIS 17 4.893 10.537 15.224 140 2HB HIS 17 HB1 HIS 17 5.820 9.463 16.263 141 HD1 HIS 17 HD1 HIS 17 4.435 6.928 14.591 142 HD2 HIS 17 HD2 HIS 17 6.900 9.965 13.148 143 HE1 HIS 17 HE1 HIS 17 5.490 6.047 12.463 144 HE2 HIS 17 HE2 HIS 17 6.997 7.887 11.574 145 H ILE 18 HN ILE 18 2.938 11.311 16.073 146 HA ILE 18 HA ILE 18 3.129 11.794 18.903 147 HB ILE 18 HB ILE 18 2.355 13.978 18.421 148 1HG1 ILE 18 HG12 ILE 18 1.039 12.756 15.976 149 2HG1 ILE 18 HG11 ILE 18 0.227 13.540 17.316 150 1HG2 ILE 18 HG21 ILE 18 4.499 13.150 17.194 151 2HG2 ILE 18 HG22 ILE 18 3.788 14.667 16.654 152 3HG2 ILE 18 HG23 ILE 18 3.522 13.188 15.730 153 1HD1 ILE 18 HD11 ILE 18 0.206 15.179 15.646 154 2HD1 ILE 18 HD12 ILE 18 1.821 14.759 15.078 155 3HD1 ILE 18 HD13 ILE 18 1.621 15.634 16.601 156 H GLU 19 HN GLU 19 0.458 11.113 16.674 157 HA GLU 19 HA GLU 19 -1.660 11.430 18.508 158 1HB GLU 19 HB2 GLU 19 -1.422 9.726 16.009 159 2HB GLU 19 HB1 GLU 19 -2.927 9.951 16.891 160 1HG GLU 19 HG2 GLU 19 -1.283 12.250 15.783 161 2HG GLU 19 HG1 GLU 19 -2.632 11.516 14.919 162 H MET 20 HN MET 20 0.005 8.474 17.410 163 HA MET 20 HA MET 20 -1.096 7.016 19.755 164 1HB MET 20 HB2 MET 20 0.341 5.833 17.365 165 2HB MET 20 HB1 MET 20 -0.673 5.007 18.542 166 1HG MET 20 HG2 MET 20 -2.618 6.359 17.762 167 2HG MET 20 HG1 MET 20 -1.589 7.065 16.514 168 1HE MET 20 HE1 MET 20 -3.518 4.857 14.173 169 2HE MET 20 HE2 MET 20 -2.864 6.443 14.571 170 3HE MET 20 HE3 MET 20 -4.166 5.766 15.545 171 H ASN 21 HN ASN 21 1.147 5.041 19.178 172 HA ASN 21 HA ASN 21 3.604 6.327 19.877 173 1HB ASN 21 HB2 ASN 21 2.359 6.608 22.013 174 2HB ASN 21 HB1 ASN 21 2.178 4.857 22.104 175 1HD2 ASN 21 HD21 ASN 21 3.517 4.678 24.031 176 2HD2 ASN 21 HD22 ASN 21 5.195 4.933 23.970 177 H GLN 22 HN GLN 22 3.288 4.642 17.892 178 HA GLN 22 HA GLN 22 3.444 1.890 18.497 179 1HB GLN 22 HB2 GLN 22 3.022 3.092 16.208 180 2HB GLN 22 HB1 GLN 22 4.775 3.091 16.064 181 1HG GLN 22 HG2 GLN 22 3.076 0.617 16.533 182 2HG GLN 22 HG1 GLN 22 3.734 1.110 14.974 183 1HE2 GLN 22 HE21 GLN 22 6.147 1.145 14.772 184 2HE2 GLN 22 HE22 GLN 22 7.080 0.151 15.785 185 H SER 23 HN SER 23 6.001 4.243 17.727 186 HA SER 23 HA SER 23 7.847 3.273 19.608 187 1HB SER 23 HB2 SER 23 8.147 1.243 18.432 188 2HB SER 23 HB1 SER 23 7.999 2.029 16.863 189 HG SER 23 HG SER 23 10.040 2.575 16.946 190 H GLU 24 HN GLU 24 7.645 5.690 19.539 191 HA GLU 24 HA GLU 24 9.957 6.784 18.247 192 1HB GLU 24 HB2 GLU 24 8.060 6.746 16.452 193 2HB GLU 24 HB1 GLU 24 7.361 8.066 17.380 194 1HG GLU 24 HG2 GLU 24 8.718 9.124 15.707 195 2HG GLU 24 HG1 GLU 24 9.663 9.219 17.195 196 H ASP 25 HN ASP 25 8.201 9.418 18.317 197 HA ASP 25 HA ASP 25 7.986 9.828 21.211 198 1HB ASP 25 HB2 ASP 25 9.819 11.495 19.466 199 2HB ASP 25 HB1 ASP 25 9.467 11.763 21.174 200 H LYS 26 HN LYS 26 7.648 12.450 21.353 201 HA LYS 26 HA LYS 26 5.107 12.842 19.999 202 1HB LYS 26 HB2 LYS 26 5.547 13.470 22.388 203 2HB LYS 26 HB1 LYS 26 6.597 14.762 21.811 204 1HG LYS 26 HG2 LYS 26 4.690 15.728 20.538 205 2HG LYS 26 HG1 LYS 26 3.659 14.421 21.117 206 1HD LYS 26 HD2 LYS 26 4.045 15.148 23.444 207 2HD LYS 26 HD1 LYS 26 5.070 16.461 22.862 208 1HE LYS 26 HE2 LYS 26 2.829 17.327 23.278 209 2HE LYS 26 HE1 LYS 26 3.141 17.330 21.543 210 1HZ LYS 26 HZ1 LYS 26 0.936 16.410 22.229 211 2HZ LYS 26 HZ2 LYS 26 1.765 15.105 22.935 212 3HZ LYS 26 HZ3 LYS 26 1.871 15.376 21.262 213 H ILE 27 HN ILE 27 6.778 15.767 20.428 214 HA ILE 27 HA ILE 27 6.476 16.545 17.746 215 HB ILE 27 HB ILE 27 6.622 18.086 19.655 216 1HG1 ILE 27 HG12 ILE 27 8.832 18.604 17.651 217 2HG1 ILE 27 HG11 ILE 27 7.124 18.763 17.257 218 1HG2 ILE 27 HG21 ILE 27 8.710 18.567 20.737 219 2HG2 ILE 27 HG22 ILE 27 9.605 17.544 19.615 220 3HG2 ILE 27 HG23 ILE 27 8.513 16.815 20.794 221 1HD1 ILE 27 HD11 ILE 27 7.760 20.194 19.712 222 2HD1 ILE 27 HD12 ILE 27 7.008 20.767 18.220 223 3HD1 ILE 27 HD13 ILE 27 8.764 20.721 18.364 224 H HIS 28 HN HIS 28 9.188 15.182 19.541 225 HA HIS 28 HA HIS 28 11.122 15.548 17.465 226 1HB HIS 28 HB2 HIS 28 11.093 13.602 19.786 227 2HB HIS 28 HB1 HIS 28 12.488 13.968 18.769 228 HD1 HIS 28 HD1 HIS 28 13.205 16.612 18.760 229 HD2 HIS 28 HD2 HIS 28 10.781 15.352 21.909 230 HE1 HIS 28 HE1 HIS 28 13.390 18.385 20.560 231 HE2 HIS 28 HE2 HIS 28 11.918 17.630 22.487 232 H ALA 29 HN ALA 29 8.472 14.133 16.893 233 HA ALA 29 HA ALA 29 9.148 11.435 16.171 234 1HB ALA 29 HB1 ALA 29 6.847 11.901 16.614 235 2HB ALA 29 HB2 ALA 29 6.963 11.599 14.881 236 3HB ALA 29 HB3 ALA 29 6.833 13.252 15.480 237 H MET 30 HN MET 30 8.774 14.494 14.383 238 HA MET 30 HA MET 30 9.276 13.454 11.827 239 1HB MET 30 HB2 MET 30 9.502 15.704 11.116 240 2HB MET 30 HB1 MET 30 8.423 15.800 12.500 241 1HG MET 30 HG2 MET 30 11.408 16.423 12.505 242 2HG MET 30 HG1 MET 30 10.075 17.563 12.697 243 1HE MET 30 HE1 MET 30 10.065 18.572 15.027 244 2HE MET 30 HE2 MET 30 11.746 18.192 14.674 245 3HE MET 30 HE3 MET 30 11.085 17.842 16.269 246 H ASN 31 HN ASN 31 11.459 14.590 14.361 247 HA ASN 31 HA ASN 31 13.830 14.782 12.958 248 1HB ASN 31 HB2 ASN 31 13.343 13.741 15.756 249 2HB ASN 31 HB1 ASN 31 14.934 14.165 15.125 250 1HD2 ASN 31 HD21 ASN 31 14.064 16.513 13.601 251 2HD2 ASN 31 HD22 ASN 31 13.627 17.700 14.733 252 H SER 32 HN SER 32 12.358 11.887 14.395 253 HA SER 32 HA SER 32 14.461 10.124 13.514 254 1HB SER 32 HB2 SER 32 13.209 9.360 15.365 255 2HB SER 32 HB1 SER 32 11.678 9.760 14.590 256 HG SER 32 HG SER 32 13.345 7.565 14.255 257 H TYR 33 HN TYR 33 11.072 10.576 12.443 258 HA TYR 33 HA TYR 33 11.183 8.879 10.215 259 1HB TYR 33 HB2 TYR 33 9.072 9.720 11.150 260 2HB TYR 33 HB1 TYR 33 9.486 11.360 10.641 261 HD1 TYR 33 HD1 TYR 33 9.473 11.991 8.273 262 HD2 TYR 33 HD2 TYR 33 8.462 8.004 9.508 263 HE1 TYR 33 HE1 TYR 33 8.549 11.520 6.020 264 HE2 TYR 33 HE2 TYR 33 7.539 7.537 7.252 265 HH TYR 33 HH TYR 33 7.603 8.310 5.041 266 H TYR 34 HN TYR 34 11.584 12.417 10.406 267 HA TYR 34 HA TYR 34 12.072 12.932 7.718 268 1HB TYR 34 HB2 TYR 34 11.755 14.659 9.542 269 2HB TYR 34 HB1 TYR 34 13.420 14.349 10.036 270 HD1 TYR 34 HD1 TYR 34 15.312 14.924 8.530 271 HD2 TYR 34 HD2 TYR 34 11.242 15.858 7.513 272 HE1 TYR 34 HE1 TYR 34 16.110 16.471 6.763 273 HE2 TYR 34 HE2 TYR 34 12.043 17.398 5.739 274 HH TYR 34 HH TYR 34 15.417 17.557 4.830 275 H ARG 35 HN ARG 35 14.300 11.913 10.282 276 HA ARG 35 HA ARG 35 16.637 12.061 8.654 277 1HB ARG 35 HB2 ARG 35 16.702 12.152 11.120 278 2HB ARG 35 HB1 ARG 35 16.193 10.463 11.174 279 1HG ARG 35 HG2 ARG 35 18.207 9.783 9.938 280 2HG ARG 35 HG1 ARG 35 18.695 11.470 9.774 281 1HD ARG 35 HD2 ARG 35 18.758 11.634 12.267 282 2HD ARG 35 HD1 ARG 35 18.422 9.906 12.350 283 HE ARG 35 HE ARG 35 20.948 11.133 11.704 284 1HH1 ARG 35 HH21 ARG 35 18.894 8.395 11.195 285 2HH1 ARG 35 HH22 ARG 35 20.196 7.312 10.834 286 1HH2 ARG 35 HH11 ARG 35 22.660 9.718 11.235 287 2HH2 ARG 35 HH12 ARG 35 22.329 8.061 10.857 288 H SER 36 HN SER 36 14.152 9.692 9.206 289 HA SER 36 HA SER 36 15.594 7.415 8.249 290 1HB SER 36 HB2 SER 36 13.553 6.249 8.403 291 2HB SER 36 HB1 SER 36 13.419 7.476 9.659 292 HG SER 36 HG SER 36 12.104 7.232 7.222 293 H VAL 37 HN VAL 37 13.314 9.701 6.753 294 HA VAL 37 HA VAL 37 13.279 8.422 4.205 295 HB VAL 37 HB VAL 37 12.835 11.333 4.875 296 1HG1 VAL 37 HG11 VAL 37 12.136 9.670 2.447 297 2HG1 VAL 37 HG12 VAL 37 13.118 11.136 2.509 298 3HG1 VAL 37 HG13 VAL 37 11.381 11.227 2.799 299 1HG2 VAL 37 HG21 VAL 37 11.343 9.917 6.175 300 2HG2 VAL 37 HG22 VAL 37 10.929 8.979 4.740 301 3HG2 VAL 37 HG23 VAL 37 10.424 10.662 4.871 302 H VAL 38 HN VAL 38 14.863 11.503 5.100 303 HA VAL 38 HA VAL 38 16.399 11.846 2.846 304 HB VAL 38 HB VAL 38 17.966 13.111 4.197 305 1HG1 VAL 38 HG11 VAL 38 15.805 14.125 3.670 306 2HG1 VAL 38 HG12 VAL 38 16.302 14.603 5.292 307 3HG1 VAL 38 HG13 VAL 38 15.075 13.356 5.080 308 1HG2 VAL 38 HG21 VAL 38 17.453 13.120 6.743 309 2HG2 VAL 38 HG22 VAL 38 18.353 11.747 6.109 310 3HG2 VAL 38 HG23 VAL 38 16.630 11.583 6.443 311 H SER 39 HN SER 39 17.212 9.871 5.687 312 HA SER 39 HA SER 39 19.797 9.107 5.013 313 1HB SER 39 HB2 SER 39 18.985 8.458 7.151 314 2HB SER 39 HB1 SER 39 17.589 7.644 6.451 315 HG SER 39 HG SER 39 18.792 5.934 6.454 316 H THR 40 HN THR 40 16.833 7.226 4.341 317 HA THR 40 HA THR 40 18.206 5.488 2.473 318 HB THR 40 HB THR 40 15.230 5.783 2.959 319 HG1 THR 40 HG1 THR 40 16.211 5.265 4.873 320 1HG2 THR 40 HG21 THR 40 15.725 4.552 0.918 321 2HG2 THR 40 HG22 THR 40 15.246 3.398 2.162 322 3HG2 THR 40 HG23 THR 40 16.949 3.591 1.751 323 H LEU 41 HN LEU 41 15.898 8.149 2.253 324 HA LEU 41 HA LEU 41 15.315 8.057 -0.455 325 1HB LEU 41 HB2 LEU 41 14.105 9.565 1.045 326 2HB LEU 41 HB1 LEU 41 15.576 10.465 1.357 327 HG LEU 41 HG LEU 41 15.686 11.219 -0.918 328 1HD1 LEU 41 HD11 LEU 41 13.362 9.334 -1.305 329 2HD1 LEU 41 HD12 LEU 41 14.842 9.476 -2.250 330 3HD1 LEU 41 HD13 LEU 41 13.590 10.705 -2.394 331 1HD2 LEU 41 HD21 LEU 41 14.303 12.480 0.714 332 2HD2 LEU 41 HD22 LEU 41 12.876 11.634 0.107 333 3HD2 LEU 41 HD23 LEU 41 13.797 12.694 -0.957 334 H VAL 42 HN VAL 42 18.050 9.582 1.224 335 HA VAL 42 HA VAL 42 19.157 10.804 -1.096 336 HB VAL 42 HB VAL 42 20.347 10.050 1.582 337 1HG1 VAL 42 HG11 VAL 42 21.633 11.372 -0.820 338 2HG1 VAL 42 HG12 VAL 42 22.275 10.086 0.202 339 3HG1 VAL 42 HG13 VAL 42 22.194 11.737 0.813 340 1HG2 VAL 42 HG21 VAL 42 19.858 12.841 0.505 341 2HG2 VAL 42 HG22 VAL 42 19.997 12.321 2.183 342 3HG2 VAL 42 HG23 VAL 42 18.542 11.945 1.257 343 H GLN 43 HN GLN 43 18.762 7.614 -0.356 344 HA GLN 43 HA GLN 43 21.186 6.788 -1.866 345 1HB GLN 43 HB2 GLN 43 20.927 5.918 0.496 346 2HB GLN 43 HB1 GLN 43 19.487 5.059 -0.051 347 1HG GLN 43 HG2 GLN 43 21.365 3.528 -0.176 348 2HG GLN 43 HG1 GLN 43 20.908 3.957 -1.824 349 1HE2 GLN 43 HE21 GLN 43 22.990 5.500 0.704 350 2HE2 GLN 43 HE22 GLN 43 24.301 5.762 -0.341 351 H ASP 44 HN ASP 44 17.719 6.651 -1.638 352 HA ASP 44 HA ASP 44 16.635 4.757 -3.044 353 1HB ASP 44 HB2 ASP 44 15.510 6.939 -2.756 354 2HB ASP 44 HB1 ASP 44 16.447 7.594 -4.097 355 H GLN 45 HN GLN 45 17.822 7.257 -5.259 356 HA GLN 45 HA GLN 45 19.354 5.248 -6.791 357 1HB GLN 45 HB2 GLN 45 18.302 5.999 -8.881 358 2HB GLN 45 HB1 GLN 45 17.141 5.242 -7.788 359 1HG GLN 45 HG2 GLN 45 16.464 7.511 -6.981 360 2HG GLN 45 HG1 GLN 45 17.544 8.237 -8.173 361 1HE2 GLN 45 HE21 GLN 45 14.470 8.182 -7.927 362 2HE2 GLN 45 HE22 GLN 45 13.957 7.658 -9.456 363 H LEU 46 HN LEU 46 19.246 8.167 -5.327 364 HA LEU 46 HA LEU 46 20.258 10.230 -5.670 365 1HB LEU 46 HB2 LEU 46 21.960 8.547 -4.758 366 2HB LEU 46 HB1 LEU 46 22.590 8.451 -6.402 367 HG LEU 46 HG LEU 46 22.594 11.134 -6.191 368 1HD1 LEU 46 HD11 LEU 46 23.124 11.905 -3.944 369 2HD1 LEU 46 HD12 LEU 46 23.038 10.257 -3.320 370 3HD1 LEU 46 HD13 LEU 46 21.579 11.058 -3.898 371 1HD2 LEU 46 HD21 LEU 46 24.601 9.795 -6.636 372 2HD2 LEU 46 HD22 LEU 46 24.697 9.328 -4.939 373 3HD2 LEU 46 HD23 LEU 46 24.963 11.007 -5.408 374 H THR 47 HN THR 47 18.816 9.874 -7.896 375 HA THR 47 HA THR 47 20.149 9.621 -10.322 376 HB THR 47 HB THR 47 17.637 11.057 -9.495 377 HG1 THR 47 HG1 THR 47 17.510 9.157 -11.408 378 1HG2 THR 47 HG21 THR 47 18.942 11.018 -12.222 379 2HG2 THR 47 HG22 THR 47 18.296 12.398 -11.337 380 3HG2 THR 47 HG23 THR 47 17.200 11.203 -12.027 381 H LYS 48 HN LYS 48 19.991 12.286 -8.101 382 HA LYS 48 HA LYS 48 22.181 13.648 -9.253 383 1HB LYS 48 HB2 LYS 48 20.493 14.134 -11.067 384 2HB LYS 48 HB1 LYS 48 19.510 14.946 -9.858 385 1HG LYS 48 HG2 LYS 48 21.301 16.515 -9.417 386 2HG LYS 48 HG1 LYS 48 22.343 15.689 -10.566 387 1HD LYS 48 HD2 LYS 48 20.754 16.212 -12.374 388 2HD LYS 48 HD1 LYS 48 19.707 17.032 -11.214 389 1HE LYS 48 HE2 LYS 48 21.055 18.712 -12.322 390 2HE LYS 48 HE1 LYS 48 21.623 18.559 -10.658 391 1HZ LYS 48 HZ1 LYS 48 23.106 16.720 -11.930 392 2HZ LYS 48 HZ2 LYS 48 23.612 18.310 -11.612 393 3HZ LYS 48 HZ3 LYS 48 22.963 17.907 -13.131 394 H ASN 49 HN ASN 49 22.882 15.298 -7.929 395 HA ASN 49 HA ASN 49 22.003 15.362 -5.270 396 1HB ASN 49 HB2 ASN 49 23.521 17.494 -6.776 397 2HB ASN 49 HB1 ASN 49 23.431 17.329 -5.023 398 1HD2 ASN 49 HD21 ASN 49 25.924 17.188 -6.490 399 2HD2 ASN 49 HD22 ASN 49 26.531 15.613 -6.318 400 H ALA 50 HN ALA 50 21.212 17.445 -8.011 401 HA ALA 50 HA ALA 50 19.722 19.350 -6.503 402 1HB ALA 50 HB1 ALA 50 19.367 18.638 -9.424 403 2HB ALA 50 HB2 ALA 50 20.620 19.723 -8.822 404 3HB ALA 50 HB3 ALA 50 18.920 20.148 -8.636 405 H VAL 51 HN VAL 51 18.729 16.572 -8.504 406 HA VAL 51 HA VAL 51 15.980 16.766 -8.225 407 HB VAL 51 HB VAL 51 17.780 14.352 -8.386 408 1HG1 VAL 51 HG11 VAL 51 14.755 14.412 -8.288 409 2HG1 VAL 51 HG12 VAL 51 15.853 13.401 -7.351 410 3HG1 VAL 51 HG13 VAL 51 15.633 13.095 -9.075 411 1HG2 VAL 51 HG21 VAL 51 15.840 15.398 -10.463 412 2HG2 VAL 51 HG22 VAL 51 17.205 14.315 -10.693 413 3HG2 VAL 51 HG23 VAL 51 17.487 16.017 -10.341 414 H VAL 52 HN VAL 52 17.970 14.563 -6.235 415 HA VAL 52 HA VAL 52 16.084 13.902 -4.344 416 HB VAL 52 HB VAL 52 17.974 13.457 -2.802 417 1HG1 VAL 52 HG11 VAL 52 18.632 12.891 -5.713 418 2HG1 VAL 52 HG12 VAL 52 17.549 11.929 -4.708 419 3HG1 VAL 52 HG13 VAL 52 19.269 12.010 -4.324 420 1HG2 VAL 52 HG21 VAL 52 19.295 15.475 -3.109 421 2HG2 VAL 52 HG22 VAL 52 19.480 15.142 -4.826 422 3HG2 VAL 52 HG23 VAL 52 20.289 14.118 -3.645 423 H LEU 53 HN LEU 53 17.949 16.863 -4.631 424 HA LEU 53 HA LEU 53 17.452 17.896 -2.080 425 1HB LEU 53 HB2 LEU 53 18.868 18.774 -4.286 426 2HB LEU 53 HB1 LEU 53 17.554 19.934 -4.243 427 HG LEU 53 HG LEU 53 19.382 19.264 -1.917 428 1HD1 LEU 53 HD11 LEU 53 20.620 20.472 -3.591 429 2HD1 LEU 53 HD12 LEU 53 20.204 21.613 -2.313 430 3HD1 LEU 53 HD13 LEU 53 19.299 21.618 -3.826 431 1HD2 LEU 53 HD21 LEU 53 17.092 21.222 -2.270 432 2HD2 LEU 53 HD22 LEU 53 18.280 21.374 -0.973 433 3HD2 LEU 53 HD23 LEU 53 17.252 19.945 -1.063 434 H LYS 54 HN LYS 54 15.626 18.131 -5.086 435 HA LYS 54 HA LYS 54 13.681 19.950 -4.197 436 1HB LYS 54 HB2 LYS 54 13.793 17.886 -6.375 437 2HB LYS 54 HB1 LYS 54 12.243 18.634 -6.020 438 1HG LYS 54 HG2 LYS 54 13.285 19.887 -7.777 439 2HG LYS 54 HG1 LYS 54 13.369 20.871 -6.320 440 1HD LYS 54 HD2 LYS 54 15.709 20.061 -5.988 441 2HD LYS 54 HD1 LYS 54 15.580 19.193 -7.518 442 1HE LYS 54 HE2 LYS 54 15.259 21.251 -8.734 443 2HE LYS 54 HE1 LYS 54 15.156 22.176 -7.236 444 1HZ LYS 54 HZ1 LYS 54 17.510 20.739 -7.107 445 2HZ LYS 54 HZ2 LYS 54 17.335 22.414 -7.327 446 3HZ LYS 54 HZ3 LYS 54 17.454 21.386 -8.674 447 H ARG 55 HN ARG 55 13.863 16.438 -3.961 448 HA ARG 55 HA ARG 55 11.266 16.085 -2.889 449 1HB ARG 55 HB2 ARG 55 13.761 14.400 -2.627 450 2HB ARG 55 HB1 ARG 55 12.139 13.885 -2.160 451 1HG ARG 55 HG2 ARG 55 11.376 14.285 -4.498 452 2HG ARG 55 HG1 ARG 55 13.033 14.691 -4.944 453 1HD ARG 55 HD2 ARG 55 12.670 12.370 -5.514 454 2HD ARG 55 HD1 ARG 55 13.736 12.421 -4.111 455 HE ARG 55 HE ARG 55 12.027 11.470 -2.821 456 1HH1 ARG 55 HH21 ARG 55 10.848 12.550 -5.887 457 2HH1 ARG 55 HH22 ARG 55 9.303 11.788 -5.716 458 1HH2 ARG 55 HH11 ARG 55 10.008 10.462 -2.591 459 2HH2 ARG 55 HH12 ARG 55 8.827 10.604 -3.849 460 H ILE 56 HN ILE 56 14.443 16.658 -1.440 461 HA ILE 56 HA ILE 56 13.649 16.276 1.254 462 HB ILE 56 HB ILE 56 15.910 17.904 0.051 463 1HG1 ILE 56 HG12 ILE 56 15.931 15.207 1.446 464 2HG1 ILE 56 HG11 ILE 56 15.893 15.403 -0.301 465 1HG2 ILE 56 HG21 ILE 56 16.892 17.703 2.402 466 2HG2 ILE 56 HG22 ILE 56 15.290 17.197 2.938 467 3HG2 ILE 56 HG23 ILE 56 15.528 18.806 2.258 468 1HD1 ILE 56 HD11 ILE 56 18.049 16.360 1.578 469 2HD1 ILE 56 HD12 ILE 56 17.991 16.751 -0.134 470 3HD1 ILE 56 HD13 ILE 56 18.189 15.078 0.376 471 H GLN 57 HN GLN 57 13.980 19.223 -0.723 472 HA GLN 57 HA GLN 57 13.236 21.080 1.228 473 1HB GLN 57 HB2 GLN 57 12.864 21.120 -1.777 474 2HB GLN 57 HB1 GLN 57 12.554 22.516 -0.744 475 1HG GLN 57 HG2 GLN 57 15.193 21.037 -0.830 476 2HG GLN 57 HG1 GLN 57 14.856 22.478 -1.786 477 1HE2 GLN 57 HE21 GLN 57 16.209 21.489 1.123 478 2HE2 GLN 57 HE22 GLN 57 16.045 22.938 1.994 479 H HIS 58 HN HIS 58 11.319 18.978 -0.803 480 HA HIS 58 HA HIS 58 8.806 20.233 -0.179 481 1HB HIS 58 HB2 HIS 58 8.840 19.020 -2.219 482 2HB HIS 58 HB1 HIS 58 9.602 17.616 -1.471 483 HD1 HIS 58 HD1 HIS 58 8.069 16.341 0.366 484 HD2 HIS 58 HD2 HIS 58 6.048 18.891 -2.240 485 HE1 HIS 58 HE1 HIS 58 5.629 15.716 0.508 486 HE2 HIS 58 HE2 HIS 58 4.376 17.262 -1.080 487 H LEU 59 HN LEU 59 10.645 17.463 1.048 488 HA LEU 59 HA LEU 59 8.686 16.399 2.708 489 1HB LEU 59 HB2 LEU 59 10.860 15.311 2.199 490 2HB LEU 59 HB1 LEU 59 11.660 16.483 3.246 491 HG LEU 59 HG LEU 59 10.233 15.702 5.151 492 1HD1 LEU 59 HD11 LEU 59 9.118 13.892 3.015 493 2HD1 LEU 59 HD12 LEU 59 8.287 14.734 4.323 494 3HD1 LEU 59 HD13 LEU 59 9.227 13.289 4.669 495 1HD2 LEU 59 HD21 LEU 59 11.471 13.689 5.565 496 2HD2 LEU 59 HD22 LEU 59 12.523 14.796 4.689 497 3HD2 LEU 59 HD23 LEU 59 11.766 13.445 3.844 498 H ASP 60 HN ASP 60 10.707 19.201 3.079 499 HA ASP 60 HA ASP 60 10.664 19.607 5.813 500 1HB ASP 60 HB2 ASP 60 11.848 21.027 4.147 501 2HB ASP 60 HB1 ASP 60 10.299 21.750 3.716 502 H GLU 61 HN GLU 61 8.086 19.994 3.482 503 HA GLU 61 HA GLU 61 6.307 21.558 5.008 504 1HB GLU 61 HB2 GLU 61 4.662 20.949 3.425 505 2HB GLU 61 HB1 GLU 61 6.172 20.846 2.523 506 1HG GLU 61 HG2 GLU 61 6.185 18.328 3.202 507 2HG GLU 61 HG1 GLU 61 4.498 18.575 3.636 508 H ALA 62 HN ALA 62 7.135 18.162 5.136 509 HA ALA 62 HA ALA 62 4.868 17.305 6.642 510 1HB ALA 62 HB1 ALA 62 6.379 15.794 5.332 511 2HB ALA 62 HB2 ALA 62 6.122 15.263 6.994 512 3HB ALA 62 HB3 ALA 62 7.629 16.063 6.545 513 H TYR 63 HN TYR 63 8.266 17.788 7.620 514 HA TYR 63 HA TYR 63 7.888 17.505 10.342 515 1HB TYR 63 HB2 TYR 63 10.132 17.901 10.333 516 2HB TYR 63 HB1 TYR 63 10.012 18.317 8.628 517 HD1 TYR 63 HD1 TYR 63 9.750 19.744 12.076 518 HD2 TYR 63 HD2 TYR 63 10.301 20.583 7.906 519 HE1 TYR 63 HE1 TYR 63 10.263 22.100 12.624 520 HE2 TYR 63 HE2 TYR 63 10.801 22.949 8.447 521 HH TYR 63 HH TYR 63 11.001 24.047 11.821 522 H ASN 64 HN ASN 64 7.584 20.401 8.319 523 HA ASN 64 HA ASN 64 7.152 22.279 10.376 524 1HB ASN 64 HB2 ASN 64 7.715 22.911 8.058 525 2HB ASN 64 HB1 ASN 64 6.137 22.341 7.519 526 1HD2 ASN 64 HD21 ASN 64 7.790 24.900 9.330 527 2HD2 ASN 64 HD22 ASN 64 6.448 25.932 9.432 528 H LYS 65 HN LYS 65 4.979 20.197 8.551 529 HA LYS 65 HA LYS 65 2.567 21.299 9.509 530 1HB LYS 65 HB2 LYS 65 2.914 19.646 7.568 531 2HB LYS 65 HB1 LYS 65 2.949 18.383 8.792 532 1HG LYS 65 HG2 LYS 65 0.655 18.395 8.319 533 2HG LYS 65 HG1 LYS 65 0.685 19.603 9.600 534 1HD LYS 65 HD2 LYS 65 0.935 21.367 7.805 535 2HD LYS 65 HD1 LYS 65 0.681 20.098 6.608 536 1HE LYS 65 HE2 LYS 65 -1.250 20.822 8.820 537 2HE LYS 65 HE1 LYS 65 -1.425 21.270 7.122 538 1HZ LYS 65 HZ1 LYS 65 -1.225 18.788 6.680 539 2HZ LYS 65 HZ2 LYS 65 -2.684 19.344 7.351 540 3HZ LYS 65 HZ3 LYS 65 -1.529 18.580 8.335 541 H VAL 66 HN VAL 66 4.707 18.785 10.756 542 HA VAL 66 HA VAL 66 3.004 17.842 12.775 543 HB VAL 66 HB VAL 66 6.035 17.896 12.623 544 1HG1 VAL 66 HG11 VAL 66 4.171 16.555 14.599 545 2HG1 VAL 66 HG12 VAL 66 5.534 17.620 14.943 546 3HG1 VAL 66 HG13 VAL 66 5.821 15.994 14.325 547 1HG2 VAL 66 HG21 VAL 66 5.700 15.504 12.042 548 2HG2 VAL 66 HG22 VAL 66 4.991 16.589 10.853 549 3HG2 VAL 66 HG23 VAL 66 3.960 15.766 12.024 550 H LYS 67 HN LYS 67 5.595 20.259 12.883 551 HA LYS 67 HA LYS 67 5.229 20.950 15.599 552 1HB LYS 67 HB2 LYS 67 6.281 22.659 13.354 553 2HB LYS 67 HB1 LYS 67 6.566 22.883 15.081 554 1HG LYS 67 HG2 LYS 67 7.288 20.147 14.483 555 2HG LYS 67 HG1 LYS 67 8.031 21.158 13.251 556 1HD LYS 67 HD2 LYS 67 8.263 21.555 16.235 557 2HD LYS 67 HD1 LYS 67 9.509 20.849 15.214 558 1HE LYS 67 HE2 LYS 67 10.330 22.968 14.852 559 2HE LYS 67 HE1 LYS 67 8.822 23.367 14.022 560 1HZ LYS 67 HZ1 LYS 67 8.892 24.895 15.710 561 2HZ LYS 67 HZ2 LYS 67 9.578 23.814 16.829 562 3HZ LYS 67 HZ3 LYS 67 7.940 23.676 16.403 563 H ARG 68 HN ARG 68 4.068 22.442 12.604 564 HA ARG 68 HA ARG 68 2.726 24.619 13.696 565 1HB ARG 68 HB2 ARG 68 3.174 24.125 11.232 566 2HB ARG 68 HB1 ARG 68 1.782 23.043 11.283 567 1HG ARG 68 HG2 ARG 68 0.336 24.884 11.977 568 2HG ARG 68 HG1 ARG 68 1.718 25.977 12.028 569 1HD ARG 68 HD2 ARG 68 2.083 25.511 9.585 570 2HD ARG 68 HD1 ARG 68 0.573 24.601 9.587 571 HE ARG 68 HE ARG 68 -0.013 27.108 10.660 572 1HH1 ARG 68 HH21 ARG 68 1.205 25.745 7.721 573 2HH1 ARG 68 HH22 ARG 68 0.567 26.999 6.713 574 1HH2 ARG 68 HH11 ARG 68 -0.853 28.758 9.343 575 2HH2 ARG 68 HH12 ARG 68 -0.598 28.705 7.630 576 H GLY 69 HN GLY 69 2.011 21.280 13.864 577 1HA GLY 69 HA2 GLY 69 -0.836 21.638 14.421 578 2HA GLY 69 HA1 GLY 69 0.054 20.120 14.367 579 H GLU 70 HN GLU 70 2.154 21.531 16.109 580 HA GLU 70 HA GLU 70 1.069 20.633 18.647 581 1HB GLU 70 HB2 GLU 70 3.740 21.829 17.872 582 2HB GLU 70 HB1 GLU 70 3.343 21.264 19.492 583 1HG GLU 70 HG2 GLU 70 3.154 19.519 17.025 584 2HG GLU 70 HG1 GLU 70 4.573 19.577 18.060 585 H SER 71 HN SER 71 3.167 23.358 18.764 586 HA SER 71 HA SER 71 1.310 24.847 20.370 587 1HB SER 71 HB2 SER 71 3.089 26.553 20.391 588 2HB SER 71 HB1 SER 71 3.708 24.956 20.795 589 HG SER 71 HG SER 71 4.802 26.376 19.102 590 H LYS 72 HN LYS 72 -0.476 25.474 19.242 591 HA LYS 72 HA LYS 72 -0.419 26.514 16.593 592 1HB LYS 72 HB2 LYS 72 -2.516 26.704 18.777 593 2HB LYS 72 HB1 LYS 72 -2.763 27.227 17.113 594 1HG LYS 72 HG2 LYS 72 -2.286 24.947 16.317 595 2HG LYS 72 HG1 LYS 72 -2.030 24.417 17.980 596 1HD LYS 72 HD2 LYS 72 -4.356 25.048 18.538 597 2HD LYS 72 HD1 LYS 72 -4.611 25.565 16.870 598 1HE LYS 72 HE2 LYS 72 -4.136 23.281 16.080 599 2HE LYS 72 HE1 LYS 72 -3.868 22.757 17.742 600 1HZ LYS 72 HZ1 LYS 72 -6.396 23.787 16.581 601 2HZ LYS 72 HZ2 LYS 72 -6.163 23.488 18.237 602 3HZ LYS 72 HZ3 LYS 72 -6.089 22.209 17.121 603 H LEU 73 HN LEU 73 -2.194 28.560 18.649 604 HA LEU 73 HA LEU 73 -0.504 30.852 17.935 605 1HB LEU 73 HB2 LEU 73 -2.361 32.166 18.940 606 2HB LEU 73 HB1 LEU 73 -2.858 31.138 17.596 607 HG LEU 73 HG LEU 73 -3.038 29.706 20.194 608 1HD1 LEU 73 HD11 LEU 73 -4.734 32.182 19.809 609 2HD1 LEU 73 HD12 LEU 73 -3.564 31.895 21.095 610 3HD1 LEU 73 HD13 LEU 73 -5.037 30.928 21.015 611 1HD2 LEU 73 HD21 LEU 73 -5.206 29.044 19.336 612 2HD2 LEU 73 HD22 LEU 73 -4.062 29.019 17.995 613 3HD2 LEU 73 HD23 LEU 73 -5.193 30.359 18.157 614 H GLU 74 HN GLU 74 1.107 29.636 19.469 615 HA GLU 74 HA GLU 74 0.797 29.781 22.262 616 1HB GLU 74 HB2 GLU 74 3.482 30.003 22.043 617 2HB GLU 74 HB1 GLU 74 2.649 28.486 21.707 618 1HG GLU 74 HG2 GLU 74 2.747 28.805 19.351 619 2HG GLU 74 HG1 GLU 74 3.101 30.521 19.505 620 H HIS 75 HN HIS 75 0.762 32.269 20.089 621 HA HIS 75 HA HIS 75 2.353 34.228 21.385 622 1HB HIS 75 HB2 HIS 75 1.534 34.391 19.030 623 2HB HIS 75 HB1 HIS 75 -0.093 34.665 19.655 624 HD1 HIS 75 HD1 HIS 75 -0.366 36.837 21.238 625 HD2 HIS 75 HD2 HIS 75 3.130 36.674 18.973 626 HE1 HIS 75 HE1 HIS 75 0.597 39.180 21.236 627 HE2 HIS 75 HE2 HIS 75 2.729 39.097 19.860 628 H HIS 76 HN HIS 76 1.645 36.030 22.644 629 HA HIS 76 HA HIS 76 -1.008 36.027 23.821 630 1HB HIS 76 HB2 HIS 76 0.168 34.269 25.138 631 2HB HIS 76 HB1 HIS 76 1.390 35.459 25.586 632 HD1 HIS 76 HD1 HIS 76 0.903 36.801 27.639 633 HD2 HIS 76 HD2 HIS 76 -2.567 35.158 26.012 634 HE1 HIS 76 HE1 HIS 76 -0.980 37.377 29.233 635 HE2 HIS 76 HE2 HIS 76 -3.102 36.383 28.255 636 H HIS 77 HN HIS 77 2.335 37.212 24.067 637 HA HIS 77 HA HIS 77 1.458 39.953 23.873 638 1HB HIS 77 HB2 HIS 77 1.034 39.463 26.277 639 2HB HIS 77 HB1 HIS 77 2.736 39.041 26.464 640 HD1 HIS 77 HD1 HIS 77 4.481 40.975 26.288 641 HD2 HIS 77 HD2 HIS 77 0.519 42.244 26.032 642 HE1 HIS 77 HE1 HIS 77 4.518 43.493 26.550 643 HE2 HIS 77 HE2 HIS 77 2.110 44.283 26.396 644 H HIS 78 HN HIS 78 4.087 37.734 24.748 645 HA HIS 78 HA HIS 78 6.330 37.749 24.249 646 1HB HIS 78 HB2 HIS 78 5.409 37.545 21.959 647 2HB HIS 78 HB1 HIS 78 5.379 39.304 21.830 648 HD1 HIS 78 HD1 HIS 78 7.964 36.635 22.736 649 HD2 HIS 78 HD2 HIS 78 7.702 40.265 20.703 650 HE1 HIS 78 HE1 HIS 78 10.270 37.097 21.795 651 HE2 HIS 78 HE2 HIS 78 10.127 39.307 20.553 652 H HIS 79 HN HIS 79 7.287 38.964 25.819 653 HA HIS 79 HA HIS 79 7.080 41.734 26.167 654 1HB HIS 79 HB2 HIS 79 7.996 40.205 27.875 655 2HB HIS 79 HB1 HIS 79 9.415 39.933 26.864 656 HD1 HIS 79 HD1 HIS 79 7.609 42.803 28.604 657 HD2 HIS 79 HD2 HIS 79 11.410 41.836 27.193 658 HE1 HIS 79 HE1 HIS 79 9.141 44.683 29.329 659 HE2 HIS 79 HE2 HIS 79 11.463 44.109 28.477 660 H HIS 80 HN HIS 80 7.806 43.384 24.997 661 HA HIS 80 HA HIS 80 9.264 43.087 22.609 662 1HB HIS 80 HB2 HIS 80 8.897 45.554 24.326 663 2HB HIS 80 HB1 HIS 80 9.442 45.545 22.648 664 HD1 HIS 80 HD1 HIS 80 7.654 44.198 20.974 665 HD2 HIS 80 HD2 HIS 80 6.156 45.794 24.523 666 HE1 HIS 80 HE1 HIS 80 5.143 44.362 20.683 667 HE2 HIS 80 HE2 HIS 80 4.216 45.334 22.838 668 1H MET 1 HT1 MET 1 41.572 34.955 16.887 669 2H MET 1 HT2 MET 1 42.685 33.707 16.592 670 3H MET 1 HT3 MET 1 41.019 33.423 16.414 671 HA MET 1 HA MET 1 41.030 35.179 14.633 672 1HB MET 1 HB2 MET 1 44.001 34.681 14.962 673 2HB MET 1 HB1 MET 1 43.281 35.504 13.580 674 1HG MET 1 HG2 MET 1 43.990 37.234 15.080 675 2HG MET 1 HG1 MET 1 42.238 37.131 15.266 676 1HE MET 1 HE1 MET 1 42.852 38.582 17.395 677 2HE MET 1 HE2 MET 1 44.591 38.324 17.286 678 3HE MET 1 HE3 MET 1 43.751 37.987 18.797 679 H SER 2 HN SER 2 40.981 32.236 15.466 680 HA SER 2 HA SER 2 42.150 30.723 13.366 681 1HB SER 2 HB2 SER 2 39.916 30.140 15.316 682 2HB SER 2 HB1 SER 2 40.473 28.960 14.133 683 HG SER 2 HG SER 2 41.778 30.048 16.361 684 H GLU 3 HN GLU 3 41.309 29.985 11.450 685 HA GLU 3 HA GLU 3 38.751 31.211 10.534 686 1HB GLU 3 HB2 GLU 3 39.739 30.990 8.245 687 2HB GLU 3 HB1 GLU 3 40.611 32.111 9.292 688 1HG GLU 3 HG2 GLU 3 42.265 30.384 9.816 689 2HG GLU 3 HG1 GLU 3 41.389 29.214 8.832 690 H LEU 4 HN LEU 4 38.536 28.910 11.962 691 HA LEU 4 HA LEU 4 37.769 26.764 11.881 692 1HB LEU 4 HB2 LEU 4 36.719 27.982 9.325 693 2HB LEU 4 HB1 LEU 4 36.308 26.328 9.776 694 HG LEU 4 HG LEU 4 34.599 27.983 10.511 695 1HD1 LEU 4 HD11 LEU 4 35.424 25.815 11.916 696 2HD1 LEU 4 HD12 LEU 4 34.138 26.880 12.489 697 3HD1 LEU 4 HD13 LEU 4 35.778 27.072 13.105 698 1HD2 LEU 4 HD21 LEU 4 36.404 29.807 10.915 699 2HD2 LEU 4 HD22 LEU 4 36.641 29.043 12.488 700 3HD2 LEU 4 HD23 LEU 4 35.071 29.722 12.068 701 H PHE 5 HN PHE 5 37.789 26.444 8.494 702 HA PHE 5 HA PHE 5 39.017 25.161 7.063 703 1HB PHE 5 HB2 PHE 5 40.819 26.772 7.744 704 2HB PHE 5 HB1 PHE 5 41.322 25.617 8.974 705 HD1 PHE 5 HD1 PHE 5 40.988 26.200 5.341 706 HD2 PHE 5 HD2 PHE 5 42.484 23.580 8.399 707 HE1 PHE 5 HE1 PHE 5 42.306 24.966 3.639 708 HE2 PHE 5 HE2 PHE 5 43.801 22.347 6.699 709 HZ PHE 5 HZ PHE 5 43.713 23.039 4.319 710 H SER 6 HN SER 6 40.407 24.364 10.251 711 HA SER 6 HA SER 6 40.604 21.620 9.746 712 1HB SER 6 HB2 SER 6 40.230 22.709 12.538 713 2HB SER 6 HB1 SER 6 41.295 21.422 11.984 714 HG SER 6 HG SER 6 41.907 23.917 12.356 715 H VAL 7 HN VAL 7 38.968 20.280 9.331 716 HA VAL 7 HA VAL 7 36.267 20.737 9.844 717 HB VAL 7 HB VAL 7 37.697 18.076 9.571 718 1HG1 VAL 7 HG11 VAL 7 35.431 17.308 8.765 719 2HG1 VAL 7 HG12 VAL 7 34.771 18.834 9.363 720 3HG1 VAL 7 HG13 VAL 7 35.512 17.688 10.480 721 1HG2 VAL 7 HG21 VAL 7 38.088 19.589 7.691 722 2HG2 VAL 7 HG22 VAL 7 36.350 19.838 7.506 723 3HG2 VAL 7 HG23 VAL 7 37.056 18.247 7.211 724 HA PRO 8 HA PRO 8 36.979 17.792 13.770 725 1HB PRO 8 HB2 PRO 8 39.423 18.692 14.988 726 2HB PRO 8 HB1 PRO 8 39.144 17.117 14.222 727 1HG PRO 8 HG2 PRO 8 40.355 19.592 13.078 728 2HG PRO 8 HG1 PRO 8 40.796 17.895 12.802 729 1HD PRO 8 HD2 PRO 8 39.453 19.186 10.929 730 2HD PRO 8 HD1 PRO 8 38.980 17.531 11.361 731 H TYR 9 HN TYR 9 37.729 21.125 13.203 732 HA TYR 9 HA TYR 9 37.407 22.169 15.785 733 1HB TYR 9 HB2 TYR 9 38.277 23.448 13.840 734 2HB TYR 9 HB1 TYR 9 36.652 23.460 13.150 735 HD1 TYR 9 HD1 TYR 9 34.829 24.732 14.207 736 HD2 TYR 9 HD2 TYR 9 38.814 24.799 15.806 737 HE1 TYR 9 HE1 TYR 9 34.240 26.704 15.589 738 HE2 TYR 9 HE2 TYR 9 38.225 26.769 17.192 739 HH TYR 9 HH TYR 9 34.914 28.081 17.203 740 H PHE 10 HN PHE 10 35.052 21.470 13.238 741 HA PHE 10 HA PHE 10 32.781 22.562 14.487 742 1HB PHE 10 HB2 PHE 10 33.332 20.688 12.269 743 2HB PHE 10 HB1 PHE 10 31.789 20.378 13.057 744 HD1 PHE 10 HD2 PHE 10 33.666 23.563 12.402 745 HD2 PHE 10 HD1 PHE 10 30.101 21.286 11.677 746 HE1 PHE 10 HE2 PHE 10 32.678 25.492 11.196 747 HE2 PHE 10 HE1 PHE 10 29.116 23.212 10.470 748 HZ PHE 10 HZ PHE 10 30.397 25.313 10.229 749 H ILE 11 HN ILE 11 34.240 19.340 14.758 750 HA ILE 11 HA ILE 11 32.200 18.259 16.390 751 HB ILE 11 HB ILE 11 35.103 17.436 16.212 752 1HG1 ILE 11 HG12 ILE 11 32.680 16.465 14.662 753 2HG1 ILE 11 HG11 ILE 11 33.893 17.559 14.007 754 1HG2 ILE 11 HG21 ILE 11 34.170 15.231 16.932 755 2HG2 ILE 11 HG22 ILE 11 32.579 15.976 17.088 756 3HG2 ILE 11 HG23 ILE 11 33.894 16.471 18.152 757 1HD1 ILE 11 HD11 ILE 11 34.445 14.769 15.055 758 2HD1 ILE 11 HD12 ILE 11 35.647 15.878 14.398 759 3HD1 ILE 11 HD13 ILE 11 34.383 15.230 13.354 760 H GLU 12 HN GLU 12 35.312 19.795 17.083 761 HA GLU 12 HA GLU 12 35.461 19.444 19.836 762 1HB GLU 12 HB2 GLU 12 36.341 21.737 18.070 763 2HB GLU 12 HB1 GLU 12 36.710 21.694 19.793 764 1HG GLU 12 HG2 GLU 12 37.433 19.449 17.885 765 2HG GLU 12 HG1 GLU 12 38.532 20.766 18.284 766 H ASN 13 HN ASN 13 33.433 21.634 17.994 767 HA ASN 13 HA ASN 13 32.649 23.295 20.182 768 1HB ASN 13 HB2 ASN 13 31.324 22.706 17.526 769 2HB ASN 13 HB1 ASN 13 30.774 23.941 18.656 770 1HD2 ASN 13 HD21 ASN 13 32.223 23.977 15.847 771 2HD2 ASN 13 HD22 ASN 13 33.450 25.124 16.088 772 H LEU 14 HN LEU 14 31.537 20.236 18.889 773 HA LEU 14 HA LEU 14 29.048 20.144 20.313 774 1HB LEU 14 HB2 LEU 14 30.600 17.736 19.330 775 2HB LEU 14 HB1 LEU 14 28.853 17.928 19.486 776 HG LEU 14 HG LEU 14 30.625 19.433 17.552 777 1HD1 LEU 14 HD11 LEU 14 30.213 16.962 17.087 778 2HD1 LEU 14 HD12 LEU 14 29.718 18.087 15.825 779 3HD1 LEU 14 HD13 LEU 14 28.508 17.383 16.890 780 1HD2 LEU 14 HD21 LEU 14 28.405 20.104 16.578 781 2HD2 LEU 14 HD22 LEU 14 28.802 20.856 18.112 782 3HD2 LEU 14 HD23 LEU 14 27.648 19.519 18.055 783 H LYS 15 HN LYS 15 32.321 18.965 20.923 784 HA LYS 15 HA LYS 15 31.820 17.367 23.131 785 1HB LYS 15 HB2 LYS 15 34.005 17.549 21.968 786 2HB LYS 15 HB1 LYS 15 34.235 19.132 22.714 787 1HG LYS 15 HG2 LYS 15 34.145 18.139 24.948 788 2HG LYS 15 HG1 LYS 15 33.789 16.555 24.255 789 1HD LYS 15 HD2 LYS 15 35.964 16.581 23.089 790 2HD LYS 15 HD1 LYS 15 36.321 18.156 23.800 791 1HE LYS 15 HE2 LYS 15 36.198 17.193 26.053 792 2HE LYS 15 HE1 LYS 15 35.781 15.619 25.374 793 1HZ LYS 15 HZ1 LYS 15 38.115 15.690 25.856 794 2HZ LYS 15 HZ2 LYS 15 38.311 17.115 24.952 795 3HZ LYS 15 HZ3 LYS 15 37.908 15.659 24.173 796 H GLN 16 HN GLN 16 32.005 20.852 22.826 797 HA GLN 16 HA GLN 16 32.160 21.439 25.617 798 1HB GLN 16 HB2 GLN 16 32.770 23.024 23.762 799 2HB GLN 16 HB1 GLN 16 31.048 23.203 23.425 800 1HG GLN 16 HG2 GLN 16 30.679 23.972 25.750 801 2HG GLN 16 HG1 GLN 16 32.405 23.806 26.071 802 1HE2 GLN 16 HE21 GLN 16 32.424 26.187 26.513 803 2HE2 GLN 16 HE22 GLN 16 32.442 27.274 25.210 804 H HIS 17 HN HIS 17 29.541 20.760 23.402 805 HA HIS 17 HA HIS 17 27.436 21.766 25.033 806 1HB HIS 17 HB2 HIS 17 27.360 19.582 22.942 807 2HB HIS 17 HB1 HIS 17 25.968 20.442 23.596 808 HD1 HIS 17 HD1 HIS 17 28.121 23.095 23.573 809 HD2 HIS 17 HD2 HIS 17 26.469 20.917 20.426 810 HE1 HIS 17 HE1 HIS 17 28.225 24.592 21.533 811 HE2 HIS 17 HE2 HIS 17 27.222 23.279 19.605 812 H ILE 18 HN ILE 18 28.707 18.469 24.538 813 HA ILE 18 HA ILE 18 27.029 17.305 26.569 814 HB ILE 18 HB ILE 18 28.349 15.294 26.213 815 1HG1 ILE 18 HG12 ILE 18 30.176 17.152 24.664 816 2HG1 ILE 18 HG11 ILE 18 30.605 16.237 26.104 817 1HG2 ILE 18 HG21 ILE 18 26.651 16.175 24.482 818 2HG2 ILE 18 HG22 ILE 18 27.783 14.955 23.915 819 3HG2 ILE 18 HG23 ILE 18 28.040 16.654 23.514 820 1HD1 ILE 18 HD11 ILE 18 30.085 15.214 23.312 821 2HD1 ILE 18 HD12 ILE 18 29.991 14.136 24.707 822 3HD1 ILE 18 HD13 ILE 18 31.504 14.961 24.327 823 H GLU 19 HN GLU 19 30.315 18.577 26.452 824 HA GLU 19 HA GLU 19 31.109 17.605 29.027 825 1HB GLU 19 HB2 GLU 19 32.716 18.288 27.244 826 2HB GLU 19 HB1 GLU 19 32.220 19.960 27.478 827 1HG GLU 19 HG2 GLU 19 34.234 19.635 28.752 828 2HG GLU 19 HG1 GLU 19 32.915 19.719 29.915 829 H MET 20 HN MET 20 30.187 20.861 27.874 830 HA MET 20 HA MET 20 29.722 21.699 30.674 831 1HB MET 20 HB2 MET 20 31.142 23.147 29.281 832 2HB MET 20 HB1 MET 20 29.817 23.329 28.132 833 1HG MET 20 HG2 MET 20 28.492 24.568 29.656 834 2HG MET 20 HG1 MET 20 29.416 24.018 31.054 835 1HE MET 20 HE1 MET 20 29.633 25.647 27.681 836 2HE MET 20 HE2 MET 20 31.323 25.155 27.721 837 3HE MET 20 HE3 MET 20 30.908 26.866 27.794 838 H ASN 21 HN ASN 21 28.124 22.214 27.524 839 HA ASN 21 HA ASN 21 25.916 22.009 26.919 840 1HB ASN 21 HB2 ASN 21 25.984 20.106 28.791 841 2HB ASN 21 HB1 ASN 21 25.064 21.275 29.726 842 1HD2 ASN 21 HD21 ASN 21 24.139 18.669 28.597 843 2HD2 ASN 21 HD22 ASN 21 22.820 19.060 27.605 844 H GLN 22 HN GLN 22 26.917 24.435 27.415 845 HA GLN 22 HA GLN 22 25.816 25.985 29.390 846 1HB GLN 22 HB2 GLN 22 27.482 26.611 27.487 847 2HB GLN 22 HB1 GLN 22 26.045 27.056 26.578 848 1HG GLN 22 HG2 GLN 22 26.758 28.147 29.320 849 2HG GLN 22 HG1 GLN 22 27.045 28.985 27.796 850 1HE2 GLN 22 HE21 GLN 22 25.013 29.251 30.263 851 2HE2 GLN 22 HE22 GLN 22 23.556 29.601 29.465 852 H SER 23 HN SER 23 24.389 25.036 26.303 853 HA SER 23 HA SER 23 21.709 25.322 27.322 854 1HB SER 23 HB2 SER 23 22.077 27.670 26.871 855 2HB SER 23 HB1 SER 23 22.728 27.309 25.275 856 HG SER 23 HG SER 23 20.765 27.042 24.541 857 H GLU 24 HN GLU 24 22.433 23.043 26.538 858 HA GLU 24 HA GLU 24 21.125 22.616 23.979 859 1HB GLU 24 HB2 GLU 24 23.685 23.040 23.602 860 2HB GLU 24 HB1 GLU 24 23.895 21.431 24.279 861 1HG GLU 24 HG2 GLU 24 23.733 21.092 21.908 862 2HG GLU 24 HG1 GLU 24 22.156 20.631 22.550 863 H ASP 25 HN ASP 25 22.821 19.954 24.170 864 HA ASP 25 HA ASP 25 21.525 18.647 26.448 865 1HB ASP 25 HB2 ASP 25 20.937 17.887 23.579 866 2HB ASP 25 HB1 ASP 25 20.477 16.946 24.996 867 H LYS 26 HN LYS 26 21.963 16.122 26.018 868 HA LYS 26 HA LYS 26 24.858 15.930 25.981 869 1HB LYS 26 HB2 LYS 26 23.416 14.710 27.600 870 2HB LYS 26 HB1 LYS 26 22.817 13.727 26.269 871 1HG LYS 26 HG2 LYS 26 25.080 12.886 25.823 872 2HG LYS 26 HG1 LYS 26 25.749 13.981 27.038 873 1HD LYS 26 HD2 LYS 26 25.540 11.753 28.002 874 2HD LYS 26 HD1 LYS 26 24.374 12.826 28.771 875 1HE LYS 26 HE2 LYS 26 22.537 11.852 27.612 876 2HE LYS 26 HE1 LYS 26 23.583 11.111 26.399 877 1HZ LYS 26 HZ1 LYS 26 24.042 9.394 27.738 878 2HZ LYS 26 HZ2 LYS 26 22.591 9.834 28.504 879 3HZ LYS 26 HZ3 LYS 26 24.081 10.342 29.144 880 H ILE 27 HN ILE 27 23.295 13.162 24.721 881 HA ILE 27 HA ILE 27 24.908 13.058 22.410 882 HB ILE 27 HB ILE 27 23.980 11.082 23.476 883 1HG1 ILE 27 HG12 ILE 27 22.783 11.321 20.699 884 2HG1 ILE 27 HG11 ILE 27 24.521 11.200 20.962 885 1HG2 ILE 27 HG21 ILE 27 21.770 12.163 24.074 886 2HG2 ILE 27 HG22 ILE 27 21.630 10.548 23.380 887 3HG2 ILE 27 HG23 ILE 27 21.292 11.962 22.385 888 1HD1 ILE 27 HD11 ILE 27 24.426 9.002 21.444 889 2HD1 ILE 27 HD12 ILE 27 22.849 9.060 20.655 890 3HD1 ILE 27 HD13 ILE 27 22.957 9.156 22.410 891 H HIS 28 HN HIS 28 21.612 14.181 22.980 892 HA HIS 28 HA HIS 28 20.859 14.474 20.271 893 1HB HIS 28 HB2 HIS 28 19.937 15.884 22.791 894 2HB HIS 28 HB1 HIS 28 19.169 16.105 21.220 895 HD1 HIS 28 HD1 HIS 28 19.914 13.378 23.760 896 HD2 HIS 28 HD2 HIS 28 17.395 14.073 20.511 897 HE1 HIS 28 HE1 HIS 28 18.288 11.437 23.686 898 HE2 HIS 28 HE2 HIS 28 16.745 11.847 21.711 899 H ALA 29 HN ALA 29 23.319 15.971 21.899 900 HA ALA 29 HA ALA 29 23.154 18.671 21.173 901 1HB ALA 29 HB1 ALA 29 24.862 17.927 22.698 902 2HB ALA 29 HB2 ALA 29 25.665 18.616 21.290 903 3HB ALA 29 HB3 ALA 29 25.559 16.864 21.481 904 H MET 30 HN MET 30 24.532 15.908 19.401 905 HA MET 30 HA MET 30 25.391 17.396 17.169 906 1HB MET 30 HB2 MET 30 25.524 15.254 16.034 907 2HB MET 30 HB1 MET 30 26.153 15.097 17.671 908 1HG MET 30 HG2 MET 30 24.750 13.216 17.606 909 2HG MET 30 HG1 MET 30 23.611 14.416 18.209 910 1HE MET 30 HE1 MET 30 21.860 12.823 17.614 911 2HE MET 30 HE2 MET 30 22.766 11.640 16.675 912 3HE MET 30 HE3 MET 30 21.317 12.374 15.991 913 H ASN 31 HN ASN 31 22.361 15.673 17.880 914 HA ASN 31 HA ASN 31 21.130 15.885 15.401 915 1HB ASN 31 HB2 ASN 31 20.164 14.663 17.311 916 2HB ASN 31 HB1 ASN 31 19.838 16.194 18.118 917 1HD2 ASN 31 HD21 ASN 31 19.141 14.578 14.962 918 2HD2 ASN 31 HD22 ASN 31 17.574 15.212 14.825 919 H SER 32 HN SER 32 20.893 18.212 18.102 920 HA SER 32 HA SER 32 19.419 20.148 16.651 921 1HB SER 32 HB2 SER 32 19.395 20.377 19.006 922 2HB SER 32 HB1 SER 32 21.150 20.261 19.109 923 HG SER 32 HG SER 32 19.819 22.344 17.729 924 H TYR 33 HN TYR 33 22.895 20.040 17.472 925 HA TYR 33 HA TYR 33 23.667 22.320 16.028 926 1HB TYR 33 HB2 TYR 33 25.138 21.253 17.668 927 2HB TYR 33 HB1 TYR 33 25.246 19.808 16.662 928 HD1 TYR 33 HD2 TYR 33 26.398 19.881 14.464 929 HD2 TYR 33 HD1 TYR 33 26.393 23.252 17.126 930 HE1 TYR 33 HE2 TYR 33 28.264 20.898 13.181 931 HE2 TYR 33 HE1 TYR 33 28.261 24.267 15.846 932 HH TYR 33 HH TYR 33 30.040 23.591 14.339 933 H TYR 34 HN TYR 34 23.711 18.890 15.064 934 HA TYR 34 HA TYR 34 24.725 19.209 12.486 935 1HB TYR 34 HB2 TYR 34 24.441 17.004 13.592 936 2HB TYR 34 HB1 TYR 34 22.692 17.169 13.432 937 HD1 TYR 34 HD2 TYR 34 21.634 17.232 11.177 938 HD2 TYR 34 HD1 TYR 34 25.806 16.358 11.712 939 HE1 TYR 34 HE2 TYR 34 21.737 16.320 8.874 940 HE2 TYR 34 HE1 TYR 34 25.910 15.450 9.405 941 HH TYR 34 HH TYR 34 24.800 15.359 7.417 942 H ARG 35 HN ARG 35 21.345 19.199 13.617 943 HA ARG 35 HA ARG 35 20.195 19.605 11.077 944 1HB ARG 35 HB2 ARG 35 18.932 18.780 13.015 945 2HB ARG 35 HB1 ARG 35 19.083 20.365 13.777 946 1HG ARG 35 HG2 ARG 35 17.836 21.419 11.969 947 2HG ARG 35 HG1 ARG 35 17.812 19.910 11.053 948 1HD ARG 35 HD2 ARG 35 15.672 20.204 12.175 949 2HD ARG 35 HD1 ARG 35 16.536 18.850 12.902 950 HE ARG 35 HE ARG 35 16.727 20.077 14.878 951 1HH1 ARG 35 HH21 ARG 35 15.748 22.091 12.239 952 2HH1 ARG 35 HH22 ARG 35 15.400 23.463 13.237 953 1HH2 ARG 35 HH11 ARG 35 16.269 21.869 16.191 954 2HH2 ARG 35 HH12 ARG 35 15.695 23.338 15.474 955 H SER 36 HN SER 36 21.551 21.762 13.466 956 HA SER 36 HA SER 36 20.446 24.178 12.435 957 1HB SER 36 HB2 SER 36 21.378 23.983 14.722 958 2HB SER 36 HB1 SER 36 22.986 23.791 14.034 959 HG SER 36 HG SER 36 23.035 25.850 13.553 960 H VAL 37 HN VAL 37 23.505 22.468 11.915 961 HA VAL 37 HA VAL 37 24.658 24.458 10.239 962 HB VAL 37 HB VAL 37 25.149 21.483 10.473 963 1HG1 VAL 37 HG11 VAL 37 27.376 22.067 9.324 964 2HG1 VAL 37 HG12 VAL 37 26.600 23.571 8.821 965 3HG1 VAL 37 HG13 VAL 37 25.953 22.019 8.288 966 1HG2 VAL 37 HG21 VAL 37 27.235 22.307 11.616 967 2HG2 VAL 37 HG22 VAL 37 25.745 22.677 12.480 968 3HG2 VAL 37 HG23 VAL 37 26.567 23.933 11.550 969 H VAL 38 HN VAL 38 23.383 21.260 9.282 970 HA VAL 38 HA VAL 38 23.341 21.618 6.547 971 HB VAL 38 HB VAL 38 21.568 19.925 6.475 972 1HG1 VAL 38 HG11 VAL 38 22.755 18.170 7.586 973 2HG1 VAL 38 HG12 VAL 38 23.381 19.261 8.817 974 3HG1 VAL 38 HG13 VAL 38 23.988 19.357 7.167 975 1HG2 VAL 38 HG21 VAL 38 21.248 20.721 9.382 976 2HG2 VAL 38 HG22 VAL 38 20.707 19.142 8.814 977 3HG2 VAL 38 HG23 VAL 38 20.002 20.608 8.138 978 H SER 39 HN SER 39 20.820 22.536 8.886 979 HA SER 39 HA SER 39 18.943 23.505 7.033 980 1HB SER 39 HB2 SER 39 18.055 24.804 8.957 981 2HB SER 39 HB1 SER 39 18.345 23.113 9.354 982 HG SER 39 HG SER 39 20.408 24.970 9.737 983 H THR 40 HN THR 40 21.680 25.072 8.648 984 HA THR 40 HA THR 40 21.124 27.687 7.652 985 HB THR 40 HB THR 40 23.736 26.490 8.625 986 HG1 THR 40 HG1 THR 40 23.118 27.494 10.557 987 1HG2 THR 40 HG21 THR 40 24.219 28.492 7.372 988 2HG2 THR 40 HG22 THR 40 24.256 28.932 9.080 989 3HG2 THR 40 HG23 THR 40 22.851 29.340 8.096 990 H LEU 41 HN LEU 41 23.336 25.105 6.614 991 HA LEU 41 HA LEU 41 24.504 26.458 4.446 992 1HB LEU 41 HB2 LEU 41 24.000 23.508 4.857 993 2HB LEU 41 HB1 LEU 41 25.060 24.177 3.614 994 HG LEU 41 HG LEU 41 25.390 24.665 6.590 995 1HD1 LEU 41 HD11 LEU 41 26.991 22.810 4.810 996 2HD1 LEU 41 HD12 LEU 41 25.734 22.274 5.923 997 3HD1 LEU 41 HD13 LEU 41 27.194 23.048 6.543 998 1HD2 LEU 41 HD21 LEU 41 27.814 25.248 5.665 999 2HD2 LEU 41 HD22 LEU 41 26.533 26.451 5.572 1000 3HD2 LEU 41 HD23 LEU 41 26.956 25.510 4.142 1001 H VAL 42 HN VAL 42 21.469 24.797 4.790 1002 HA VAL 42 HA VAL 42 20.933 24.902 1.906 1003 HB VAL 42 HB VAL 42 19.285 23.918 4.248 1004 1HG1 VAL 42 HG11 VAL 42 17.887 22.890 2.371 1005 2HG1 VAL 42 HG12 VAL 42 18.723 23.979 1.265 1006 3HG1 VAL 42 HG13 VAL 42 17.722 24.634 2.563 1007 1HG2 VAL 42 HG21 VAL 42 19.853 21.714 3.443 1008 2HG2 VAL 42 HG22 VAL 42 21.365 22.612 3.547 1009 3HG2 VAL 42 HG23 VAL 42 20.590 22.372 1.984 1010 H GLN 43 HN GLN 43 19.872 26.435 4.917 1011 HA GLN 43 HA GLN 43 17.814 27.977 3.711 1012 1HB GLN 43 HB2 GLN 43 17.874 27.481 6.135 1013 2HB GLN 43 HB1 GLN 43 19.300 28.500 6.298 1014 1HG GLN 43 HG2 GLN 43 17.243 29.696 6.960 1015 2HG GLN 43 HG1 GLN 43 17.990 30.462 5.561 1016 1HE2 GLN 43 HE21 GLN 43 16.108 31.259 4.482 1017 2HE2 GLN 43 HE22 GLN 43 14.844 30.256 3.954 1018 H ASP 44 HN ASP 44 21.175 28.203 3.627 1019 HA ASP 44 HA ASP 44 21.006 30.849 2.347 1020 1HB ASP 44 HB2 ASP 44 22.841 30.195 4.668 1021 2HB ASP 44 HB1 ASP 44 22.970 31.634 3.660 1022 H GLN 45 HN GLN 45 23.083 31.389 1.297 1023 HA GLN 45 HA GLN 45 24.943 30.873 0.036 1024 1HB GLN 45 HB2 GLN 45 25.572 29.289 1.954 1025 2HB GLN 45 HB1 GLN 45 24.787 28.010 1.036 1026 1HG GLN 45 HG2 GLN 45 26.253 28.390 -0.833 1027 2HG GLN 45 HG1 GLN 45 27.043 29.713 0.025 1028 1HE2 GLN 45 HE21 GLN 45 26.133 26.287 0.793 1029 2HE2 GLN 45 HE22 GLN 45 27.629 25.905 1.502 1030 H LEU 46 HN LEU 46 23.361 27.707 -0.019 1031 HA LEU 46 HA LEU 46 22.670 26.449 -1.842 1032 1HB LEU 46 HB2 LEU 46 21.236 29.068 -2.232 1033 2HB LEU 46 HB1 LEU 46 20.805 27.581 -3.082 1034 HG LEU 46 HG LEU 46 20.986 27.621 -0.056 1035 1HD1 LEU 46 HD11 LEU 46 18.512 28.051 -0.023 1036 2HD1 LEU 46 HD12 LEU 46 18.596 28.426 -1.744 1037 3HD1 LEU 46 HD13 LEU 46 19.454 29.434 -0.580 1038 1HD2 LEU 46 HD21 LEU 46 20.779 25.400 -1.054 1039 2HD2 LEU 46 HD22 LEU 46 19.433 25.935 -2.059 1040 3HD2 LEU 46 HD23 LEU 46 19.236 25.815 -0.310 1041 H THR 47 HN THR 47 25.178 27.703 -2.309 1042 HA THR 47 HA THR 47 25.211 28.969 -4.876 1043 HB THR 47 HB THR 47 26.958 29.294 -3.141 1044 HG1 THR 47 HG1 THR 47 27.202 29.200 -5.650 1045 1HG2 THR 47 HG21 THR 47 27.892 26.540 -3.942 1046 2HG2 THR 47 HG22 THR 47 26.991 26.846 -2.462 1047 3HG2 THR 47 HG23 THR 47 28.580 27.579 -2.700 1048 H LYS 48 HN LYS 48 25.454 25.683 -3.722 1049 HA LYS 48 HA LYS 48 24.884 24.597 -6.306 1050 1HB LYS 48 HB2 LYS 48 27.296 25.215 -6.591 1051 2HB LYS 48 HB1 LYS 48 27.681 24.125 -5.263 1052 1HG LYS 48 HG2 LYS 48 26.764 22.237 -6.484 1053 2HG LYS 48 HG1 LYS 48 26.247 23.297 -7.792 1054 1HD LYS 48 HD2 LYS 48 28.602 23.906 -8.213 1055 2HD LYS 48 HD1 LYS 48 29.110 22.822 -6.915 1056 1HE LYS 48 HE2 LYS 48 28.055 20.926 -8.117 1057 2HE LYS 48 HE1 LYS 48 27.618 22.019 -9.428 1058 1HZ LYS 48 HZ1 LYS 48 29.610 21.558 -10.282 1059 2HZ LYS 48 HZ2 LYS 48 30.139 20.792 -8.860 1060 3HZ LYS 48 HZ3 LYS 48 30.282 22.477 -9.024 1061 H ASN 49 HN ASN 49 23.951 22.658 -6.030 1062 HA ASN 49 HA ASN 49 23.328 21.599 -3.560 1063 1HB ASN 49 HB2 ASN 49 23.623 20.012 -6.107 1064 2HB ASN 49 HB1 ASN 49 22.641 19.593 -4.703 1065 1HD2 ASN 49 HD21 ASN 49 21.754 22.420 -4.259 1066 2HD2 ASN 49 HD22 ASN 49 20.644 22.748 -5.502 1067 H ALA 50 HN ALA 50 26.050 20.789 -5.682 1068 HA ALA 50 HA ALA 50 27.052 18.614 -4.185 1069 1HB ALA 50 HB1 ALA 50 29.095 18.897 -5.423 1070 2HB ALA 50 HB2 ALA 50 28.660 20.553 -5.846 1071 3HB ALA 50 HB3 ALA 50 27.736 19.202 -6.506 1072 H VAL 51 HN VAL 51 27.796 22.088 -4.072 1073 HA VAL 51 HA VAL 51 29.869 22.012 -2.179 1074 HB VAL 51 HB VAL 51 27.834 24.122 -2.891 1075 1HG1 VAL 51 HG11 VAL 51 29.941 24.227 -0.717 1076 2HG1 VAL 51 HG12 VAL 51 28.249 24.699 -0.614 1077 3HG1 VAL 51 HG13 VAL 51 29.386 25.693 -1.520 1078 1HG2 VAL 51 HG21 VAL 51 29.687 25.170 -4.012 1079 2HG2 VAL 51 HG22 VAL 51 29.784 23.462 -4.430 1080 3HG2 VAL 51 HG23 VAL 51 30.853 24.134 -3.200 1081 H VAL 52 HN VAL 52 26.363 22.300 -1.695 1082 HA VAL 52 HA VAL 52 26.625 22.313 1.196 1083 HB VAL 52 HB VAL 52 24.136 22.196 1.159 1084 1HG1 VAL 52 HG11 VAL 52 25.282 24.370 1.016 1085 2HG1 VAL 52 HG12 VAL 52 23.822 24.391 0.027 1086 3HG1 VAL 52 HG13 VAL 52 25.403 24.208 -0.736 1087 1HG2 VAL 52 HG21 VAL 52 23.752 20.851 -0.836 1088 2HG2 VAL 52 HG22 VAL 52 24.606 22.028 -1.825 1089 3HG2 VAL 52 HG23 VAL 52 23.051 22.443 -1.119 1090 H LEU 53 HN LEU 53 25.571 20.004 -1.284 1091 HA LEU 53 HA LEU 53 24.775 17.948 0.409 1092 1HB LEU 53 HB2 LEU 53 24.354 17.931 -2.021 1093 2HB LEU 53 HB1 LEU 53 26.076 17.704 -2.310 1094 HG LEU 53 HG LEU 53 25.992 15.548 -1.099 1095 1HD1 LEU 53 HD11 LEU 53 24.270 15.665 0.476 1096 2HD1 LEU 53 HD12 LEU 53 23.505 14.680 -0.769 1097 3HD1 LEU 53 HD13 LEU 53 23.130 16.401 -0.651 1098 1HD2 LEU 53 HD21 LEU 53 25.643 15.631 -3.545 1099 2HD2 LEU 53 HD22 LEU 53 23.904 15.779 -3.284 1100 3HD2 LEU 53 HD23 LEU 53 24.745 14.310 -2.798 1101 H LYS 54 HN LYS 54 27.919 18.300 -1.229 1102 HA LYS 54 HA LYS 54 29.233 16.143 -0.105 1103 1HB LYS 54 HB2 LYS 54 31.267 17.217 -0.729 1104 2HB LYS 54 HB1 LYS 54 30.063 17.794 -1.880 1105 1HG LYS 54 HG2 LYS 54 29.743 19.799 -0.331 1106 2HG LYS 54 HG1 LYS 54 31.185 19.275 0.521 1107 1HD LYS 54 HD2 LYS 54 31.021 19.963 -2.421 1108 2HD LYS 54 HD1 LYS 54 31.743 20.967 -1.161 1109 1HE LYS 54 HE2 LYS 54 33.614 19.861 -2.049 1110 2HE LYS 54 HE1 LYS 54 33.207 18.822 -0.681 1111 1HZ LYS 54 HZ1 LYS 54 31.673 18.064 -2.907 1112 2HZ LYS 54 HZ2 LYS 54 32.856 17.163 -2.084 1113 3HZ LYS 54 HZ3 LYS 54 33.296 18.159 -3.388 1114 H ARG 55 HN ARG 55 28.575 19.309 1.280 1115 HA ARG 55 HA ARG 55 30.238 18.990 3.590 1116 1HB ARG 55 HB2 ARG 55 28.145 20.949 2.682 1117 2HB ARG 55 HB1 ARG 55 28.544 20.920 4.397 1118 1HG ARG 55 HG2 ARG 55 30.898 21.310 3.879 1119 2HG ARG 55 HG1 ARG 55 30.552 21.240 2.152 1120 1HD ARG 55 HD2 ARG 55 29.190 23.229 2.270 1121 2HD ARG 55 HD1 ARG 55 29.267 23.241 4.030 1122 HE ARG 55 HE ARG 55 31.310 24.303 3.852 1123 1HH1 ARG 55 HH21 ARG 55 30.584 22.617 0.921 1124 2HH1 ARG 55 HH22 ARG 55 31.974 23.212 0.074 1125 1HH2 ARG 55 HH11 ARG 55 33.128 25.090 2.751 1126 2HH2 ARG 55 HH12 ARG 55 33.414 24.612 1.110 1127 H ILE 56 HN ILE 56 26.802 18.474 2.893 1128 HA ILE 56 HA ILE 56 26.038 17.873 5.540 1129 HB ILE 56 HB ILE 56 24.904 17.011 2.869 1130 1HG1 ILE 56 HG12 ILE 56 23.804 19.026 4.852 1131 2HG1 ILE 56 HG11 ILE 56 24.894 19.485 3.559 1132 1HG2 ILE 56 HG21 ILE 56 23.858 16.579 5.681 1133 2HG2 ILE 56 HG22 ILE 56 24.095 15.371 4.419 1134 3HG2 ILE 56 HG23 ILE 56 22.798 16.555 4.274 1135 1HD1 ILE 56 HD11 ILE 56 22.445 17.884 2.891 1136 2HD1 ILE 56 HD12 ILE 56 23.338 19.043 1.906 1137 3HD1 ILE 56 HD13 ILE 56 22.296 19.613 3.201 1138 H GLN 57 HN GLN 57 26.843 15.694 2.827 1139 HA GLN 57 HA GLN 57 26.643 13.295 4.230 1140 1HB GLN 57 HB2 GLN 57 28.457 14.006 1.913 1141 2HB GLN 57 HB1 GLN 57 28.091 12.367 2.456 1142 1HG GLN 57 HG2 GLN 57 25.685 12.777 2.045 1143 2HG GLN 57 HG1 GLN 57 26.070 14.397 1.465 1144 1HE2 GLN 57 HE21 GLN 57 25.435 11.314 0.357 1145 2HE2 GLN 57 HE22 GLN 57 26.253 11.388 -1.128 1146 H HIS 58 HN HIS 58 29.306 15.579 3.878 1147 HA HIS 58 HA HIS 58 31.248 13.934 5.224 1148 1HB HIS 58 HB2 HIS 58 31.190 16.897 4.570 1149 2HB HIS 58 HB1 HIS 58 32.566 16.085 5.317 1150 HD1 HIS 58 HD1 HIS 58 31.562 13.475 3.369 1151 HD2 HIS 58 HD2 HIS 58 33.125 17.192 2.311 1152 HE1 HIS 58 HE1 HIS 58 32.521 13.212 1.040 1153 HE2 HIS 58 HE2 HIS 58 33.477 15.470 0.380 1154 H LEU 59 HN LEU 59 29.054 16.539 6.177 1155 HA LEU 59 HA LEU 59 30.037 17.031 8.724 1156 1HB LEU 59 HB2 LEU 59 28.240 18.347 7.603 1157 2HB LEU 59 HB1 LEU 59 27.124 17.016 7.908 1158 HG LEU 59 HG LEU 59 27.580 17.250 10.359 1159 1HD1 LEU 59 HD11 LEU 59 29.412 19.428 9.381 1160 2HD1 LEU 59 HD12 LEU 59 29.635 18.271 10.693 1161 3HD1 LEU 59 HD13 LEU 59 28.571 19.656 10.919 1162 1HD2 LEU 59 HD21 LEU 59 26.207 19.212 10.663 1163 2HD2 LEU 59 HD22 LEU 59 25.651 18.351 9.231 1164 3HD2 LEU 59 HD23 LEU 59 26.624 19.812 9.060 1165 H ASP 60 HN ASP 60 28.127 14.376 7.517 1166 HA ASP 60 HA ASP 60 27.027 13.334 9.842 1167 1HB ASP 60 HB2 ASP 60 28.197 11.882 7.462 1168 2HB ASP 60 HB1 ASP 60 27.208 11.112 8.701 1169 H GLU 61 HN GLU 61 30.345 13.349 8.771 1170 HA GLU 61 HA GLU 61 31.389 11.281 10.367 1171 1HB GLU 61 HB2 GLU 61 33.520 12.193 9.886 1172 2HB GLU 61 HB1 GLU 61 32.533 12.666 8.506 1173 1HG GLU 61 HG2 GLU 61 32.096 14.879 9.810 1174 2HG GLU 61 HG1 GLU 61 33.449 14.398 10.831 1175 H ALA 62 HN ALA 62 30.512 14.594 11.117 1176 HA ALA 62 HA ALA 62 31.833 14.688 13.640 1177 1HB ALA 62 HB1 ALA 62 29.573 16.350 12.490 1178 2HB ALA 62 HB2 ALA 62 31.286 16.760 12.499 1179 3HB ALA 62 HB3 ALA 62 30.387 16.706 14.014 1180 H TYR 63 HN TYR 63 28.400 14.382 12.749 1181 HA TYR 63 HA TYR 63 27.382 14.003 15.283 1182 1HB TYR 63 HB2 TYR 63 25.493 13.902 14.008 1183 2HB TYR 63 HB1 TYR 63 26.466 13.626 12.565 1184 HD1 TYR 63 HD2 TYR 63 24.950 11.889 15.504 1185 HD2 TYR 63 HD1 TYR 63 26.498 11.473 11.521 1186 HE1 TYR 63 HE2 TYR 63 24.172 9.538 15.452 1187 HE2 TYR 63 HE1 TYR 63 25.735 9.114 11.473 1188 HH TYR 63 HH TYR 63 24.036 7.685 14.273 1189 H ASN 64 HN ASN 64 28.795 11.611 13.084 1190 HA ASN 64 HA ASN 64 28.250 9.320 14.635 1191 1HB ASN 64 HB2 ASN 64 28.884 9.224 12.258 1192 2HB ASN 64 HB1 ASN 64 30.503 9.792 12.662 1193 1HD2 ASN 64 HD21 ASN 64 31.719 7.898 12.213 1194 2HD2 ASN 64 HD22 ASN 64 31.456 6.414 12.994 1195 H LYS 65 HN LYS 65 30.959 11.570 14.558 1196 HA LYS 65 HA LYS 65 32.665 10.150 16.301 1197 1HB LYS 65 HB2 LYS 65 32.421 13.071 15.575 1198 2HB LYS 65 HB1 LYS 65 33.647 12.502 16.702 1199 1HG LYS 65 HG2 LYS 65 33.400 11.072 14.053 1200 2HG LYS 65 HG1 LYS 65 34.167 12.658 14.063 1201 1HD LYS 65 HD2 LYS 65 35.779 11.905 15.729 1202 2HD LYS 65 HD1 LYS 65 34.978 10.336 15.832 1203 1HE LYS 65 HE2 LYS 65 36.925 10.172 14.369 1204 2HE LYS 65 HE1 LYS 65 35.449 9.969 13.424 1205 1HZ LYS 65 HZ1 LYS 65 36.236 12.708 13.663 1206 2HZ LYS 65 HZ2 LYS 65 35.863 11.805 12.272 1207 3HZ LYS 65 HZ3 LYS 65 37.432 11.762 12.921 1208 H VAL 66 HN VAL 66 30.067 12.470 16.885 1209 HA VAL 66 HA VAL 66 30.554 12.855 19.626 1210 HB VAL 66 HB VAL 66 27.976 13.021 18.030 1211 1HG1 VAL 66 HG11 VAL 66 27.220 14.467 19.976 1212 2HG1 VAL 66 HG12 VAL 66 28.592 13.830 20.882 1213 3HG1 VAL 66 HG13 VAL 66 27.321 12.743 20.323 1214 1HG2 VAL 66 HG21 VAL 66 29.650 14.624 17.298 1215 2HG2 VAL 66 HG22 VAL 66 30.000 15.081 18.964 1216 3HG2 VAL 66 HG23 VAL 66 28.440 15.478 18.251 1217 H LYS 67 HN LYS 67 28.431 10.572 17.936 1218 HA LYS 67 HA LYS 67 27.423 9.317 20.259 1219 1HB LYS 67 HB2 LYS 67 27.738 8.219 17.474 1220 2HB LYS 67 HB1 LYS 67 26.695 7.579 18.743 1221 1HG LYS 67 HG2 LYS 67 26.048 10.369 18.585 1222 2HG LYS 67 HG1 LYS 67 26.151 9.803 16.923 1223 1HD LYS 67 HD2 LYS 67 24.499 8.567 19.118 1224 2HD LYS 67 HD1 LYS 67 23.864 9.576 17.823 1225 1HE LYS 67 HE2 LYS 67 23.528 7.584 16.694 1226 2HE LYS 67 HE1 LYS 67 25.275 7.571 16.442 1227 1HZ LYS 67 HZ1 LYS 67 24.136 6.534 18.953 1228 2HZ LYS 67 HZ2 LYS 67 25.600 6.134 18.192 1229 3HZ LYS 67 HZ3 LYS 67 24.129 5.564 17.562 1230 H ARG 68 HN ARG 68 30.124 8.617 18.126 1231 HA ARG 68 HA ARG 68 30.923 6.127 19.007 1232 1HB ARG 68 HB2 ARG 68 32.432 8.536 18.023 1233 2HB ARG 68 HB1 ARG 68 33.316 7.098 18.506 1234 1HG ARG 68 HG2 ARG 68 31.006 6.807 16.570 1235 2HG ARG 68 HG1 ARG 68 32.557 7.396 15.969 1236 1HD ARG 68 HD2 ARG 68 33.688 5.413 16.784 1237 2HD ARG 68 HD1 ARG 68 32.214 4.833 17.550 1238 HE ARG 68 HE ARG 68 31.518 5.131 14.918 1239 1HH1 ARG 68 HH21 ARG 68 34.030 3.508 16.658 1240 2HH1 ARG 68 HH22 ARG 68 34.194 2.228 15.504 1241 1HH2 ARG 68 HH11 ARG 68 31.729 3.456 13.397 1242 2HH2 ARG 68 HH12 ARG 68 32.890 2.198 13.656 1243 H GLY 69 HN GLY 69 31.096 9.172 20.642 1244 1HA GLY 69 HA2 GLY 69 32.970 8.251 22.661 1245 2HA GLY 69 HA1 GLY 69 32.163 9.813 22.592 1246 H GLU 70 HN GLU 70 29.572 8.293 22.124 1247 HA GLU 70 HA GLU 70 28.879 7.991 24.959 1248 1HB GLU 70 HB2 GLU 70 27.094 7.903 22.509 1249 2HB GLU 70 HB1 GLU 70 26.584 8.050 24.190 1250 1HG GLU 70 HG2 GLU 70 28.352 10.070 22.781 1251 2HG GLU 70 HG1 GLU 70 26.609 10.236 22.955 1252 H SER 71 HN SER 71 26.578 6.256 23.901 1253 HA SER 71 HA SER 71 26.072 4.025 23.728 1254 1HB SER 71 HB2 SER 71 28.047 4.302 21.937 1255 2HB SER 71 HB1 SER 71 28.863 3.206 23.046 1256 HG SER 71 HG SER 71 26.664 2.819 21.399 1257 H LYS 72 HN LYS 72 29.415 4.159 24.903 1258 HA LYS 72 HA LYS 72 30.400 3.378 26.807 1259 1HB LYS 72 HB2 LYS 72 27.589 3.560 27.933 1260 2HB LYS 72 HB1 LYS 72 29.063 3.346 28.871 1261 1HG LYS 72 HG2 LYS 72 29.939 5.470 28.029 1262 2HG LYS 72 HG1 LYS 72 28.490 5.688 27.045 1263 1HD LYS 72 HD2 LYS 72 27.111 5.625 29.118 1264 2HD LYS 72 HD1 LYS 72 28.594 5.531 30.069 1265 1HE LYS 72 HE2 LYS 72 27.839 7.782 28.183 1266 2HE LYS 72 HE1 LYS 72 27.806 7.855 29.945 1267 1HZ LYS 72 HZ1 LYS 72 30.164 7.490 30.005 1268 2HZ LYS 72 HZ2 LYS 72 29.838 8.809 28.985 1269 3HZ LYS 72 HZ3 LYS 72 30.227 7.294 28.322 1270 H LEU 73 HN LEU 73 29.314 1.538 24.791 1271 HA LEU 73 HA LEU 73 28.370 -0.786 26.282 1272 1HB LEU 73 HB2 LEU 73 28.692 -0.039 23.415 1273 2HB LEU 73 HB1 LEU 73 28.781 -1.760 23.790 1274 HG LEU 73 HG LEU 73 26.510 -1.035 23.245 1275 1HD1 LEU 73 HD11 LEU 73 27.223 -2.731 25.308 1276 2HD1 LEU 73 HD12 LEU 73 25.573 -2.520 24.725 1277 3HD1 LEU 73 HD13 LEU 73 26.125 -1.622 26.138 1278 1HD2 LEU 73 HD21 LEU 73 25.280 0.553 24.568 1279 2HD2 LEU 73 HD22 LEU 73 26.827 1.301 24.184 1280 3HD2 LEU 73 HD23 LEU 73 26.557 0.611 25.782 1281 H GLU 74 HN GLU 74 31.189 0.027 24.335 1282 HA GLU 74 HA GLU 74 32.703 -2.173 24.373 1283 1HB GLU 74 HB2 GLU 74 33.884 0.426 25.353 1284 2HB GLU 74 HB1 GLU 74 34.669 -0.824 24.388 1285 1HG GLU 74 HG2 GLU 74 32.950 -0.337 22.570 1286 2HG GLU 74 HG1 GLU 74 32.447 1.052 23.526 1287 H HIS 75 HN HIS 75 32.428 0.003 27.157 1288 HA HIS 75 HA HIS 75 33.219 -2.238 28.957 1289 1HB HIS 75 HB2 HIS 75 35.019 -0.523 28.708 1290 2HB HIS 75 HB1 HIS 75 33.889 0.696 29.305 1291 HD1 HIS 75 HD1 HIS 75 34.570 -2.854 30.521 1292 HD2 HIS 75 HD2 HIS 75 34.561 1.052 31.979 1293 HE1 HIS 75 HE1 HIS 75 35.069 -3.013 33.000 1294 HE2 HIS 75 HE2 HIS 75 35.068 -0.639 33.902 1295 H HIS 76 HN HIS 76 32.719 0.489 30.724 1296 HA HIS 76 HA HIS 76 29.823 0.452 30.862 1297 1HB HIS 76 HB2 HIS 76 30.476 -1.600 32.127 1298 2HB HIS 76 HB1 HIS 76 31.427 -0.588 33.212 1299 HD1 HIS 76 HD1 HIS 76 30.156 0.882 34.905 1300 HD2 HIS 76 HD2 HIS 76 27.635 -1.276 32.382 1301 HE1 HIS 76 HE1 HIS 76 27.822 1.105 35.862 1302 HE2 HIS 76 HE2 HIS 76 26.273 -0.205 34.335 1303 H HIS 77 HN HIS 77 32.779 1.253 32.693 1304 HA HIS 77 HA HIS 77 33.379 3.148 33.846 1305 1HB HIS 77 HB2 HIS 77 31.751 4.404 31.623 1306 2HB HIS 77 HB1 HIS 77 32.839 5.285 32.697 1307 HD1 HIS 77 HD1 HIS 77 32.786 3.209 29.651 1308 HD2 HIS 77 HD2 HIS 77 35.648 4.467 32.409 1309 HE1 HIS 77 HE1 HIS 77 35.043 2.779 28.587 1310 HE2 HIS 77 HE2 HIS 77 36.799 3.541 30.255 1311 H HIS 78 HN HIS 78 32.147 2.570 35.717 1312 HA HIS 78 HA HIS 78 29.451 3.152 36.157 1313 1HB HIS 78 HB2 HIS 78 31.772 3.114 38.106 1314 2HB HIS 78 HB1 HIS 78 30.075 3.165 38.582 1315 HD1 HIS 78 HD1 HIS 78 32.637 0.914 36.982 1316 HD2 HIS 78 HD2 HIS 78 28.667 0.728 38.243 1317 HE1 HIS 78 HE1 HIS 78 31.972 -1.529 36.899 1318 HE2 HIS 78 HE2 HIS 78 29.555 -1.658 37.666 1319 H HIS 79 HN HIS 79 31.995 4.997 37.800 1320 HA HIS 79 HA HIS 79 30.982 7.546 36.807 1321 1HB HIS 79 HB2 HIS 79 30.762 6.831 39.742 1322 2HB HIS 79 HB1 HIS 79 30.429 8.412 39.034 1323 HD1 HIS 79 HD1 HIS 79 28.448 8.413 37.158 1324 HD2 HIS 79 HD2 HIS 79 28.585 5.107 39.695 1325 HE1 HIS 79 HE1 HIS 79 26.192 7.277 36.977 1326 HE2 HIS 79 HE2 HIS 79 26.259 5.260 38.518 1327 H HIS 80 HN HIS 80 32.300 9.340 37.452 1328 HA HIS 80 HA HIS 80 35.057 8.789 37.431 1329 1HB HIS 80 HB2 HIS 80 34.067 10.924 36.662 1330 2HB HIS 80 HB1 HIS 80 33.661 11.324 38.331 1331 HD1 HIS 80 HD1 HIS 80 36.769 10.378 36.318 1332 HD2 HIS 80 HD2 HIS 80 35.692 12.681 39.623 1333 HE1 HIS 80 HE1 HIS 80 38.874 11.559 37.086 1334 HE2 HIS 80 HE2 HIS 80 38.234 12.967 39.100 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -4.831 -0.942 4.598 2 2H MET 1 HT2 MET 1 -5.654 0.306 3.791 3 3H MET 1 HT3 MET 1 -4.000 0.465 4.148 4 HA MET 1 HA MET 1 -4.190 -1.871 2.708 5 1HB MET 1 HB2 MET 1 -5.885 0.367 1.556 6 2HB MET 1 HB1 MET 1 -5.307 -1.015 0.623 7 1HG MET 1 HG2 MET 1 -6.466 -2.545 2.188 8 2HG MET 1 HG1 MET 1 -7.070 -1.152 3.087 9 1HE MET 1 HE1 MET 1 -10.267 -2.417 1.376 10 2HE MET 1 HE2 MET 1 -9.621 -1.665 2.832 11 3HE MET 1 HE3 MET 1 -8.960 -3.200 2.274 12 H SER 2 HN SER 2 -2.767 0.702 3.754 13 HA SER 2 HA SER 2 -0.958 2.000 3.166 14 1HB SER 2 HB2 SER 2 0.046 -0.243 2.965 15 2HB SER 2 HB1 SER 2 -0.467 -0.319 1.282 16 HG SER 2 HG SER 2 1.211 0.832 0.795 17 H GLU 3 HN GLU 3 -3.072 3.103 2.061 18 HA GLU 3 HA GLU 3 -3.128 3.238 -0.773 19 1HB GLU 3 HB2 GLU 3 -4.086 5.218 1.313 20 2HB GLU 3 HB1 GLU 3 -4.482 5.298 -0.403 21 1HG GLU 3 HG2 GLU 3 -5.096 2.928 1.367 22 2HG GLU 3 HG1 GLU 3 -6.249 4.200 0.984 23 H LEU 4 HN LEU 4 -3.083 5.902 -1.411 24 HA LEU 4 HA LEU 4 -0.641 7.141 -0.566 25 1HB LEU 4 HB2 LEU 4 -0.097 5.178 -2.311 26 2HB LEU 4 HB1 LEU 4 -0.588 6.381 -3.498 27 HG LEU 4 HG LEU 4 1.572 6.742 -1.393 28 1HD1 LEU 4 HD11 LEU 4 2.236 5.268 -3.219 29 2HD1 LEU 4 HD12 LEU 4 3.067 6.820 -3.348 30 3HD1 LEU 4 HD13 LEU 4 1.697 6.464 -4.399 31 1HD2 LEU 4 HD21 LEU 4 0.360 8.622 -3.446 32 2HD2 LEU 4 HD22 LEU 4 1.987 8.875 -2.807 33 3HD2 LEU 4 HD23 LEU 4 0.605 8.883 -1.722 34 H PHE 5 HN PHE 5 -1.688 9.034 -0.297 35 HA PHE 5 HA PHE 5 -3.222 10.185 -2.563 36 1HB PHE 5 HB2 PHE 5 -3.080 10.891 0.377 37 2HB PHE 5 HB1 PHE 5 -3.950 11.848 -0.824 38 HD1 PHE 5 HD1 PHE 5 -5.918 10.930 -1.996 39 HD2 PHE 5 HD2 PHE 5 -3.911 8.703 1.078 40 HE1 PHE 5 HE1 PHE 5 -7.864 9.402 -1.833 41 HE2 PHE 5 HE2 PHE 5 -5.855 7.174 1.243 42 HZ PHE 5 HZ PHE 5 -7.833 7.524 -0.213 43 H SER 6 HN SER 6 -1.302 10.657 -3.775 44 HA SER 6 HA SER 6 0.511 11.932 -4.428 45 1HB SER 6 HB2 SER 6 0.053 14.412 -4.116 46 2HB SER 6 HB1 SER 6 -1.272 13.508 -4.833 47 HG SER 6 HG SER 6 -2.205 13.392 -2.737 48 H VAL 7 HN VAL 7 1.629 14.248 -3.280 49 HA VAL 7 HA VAL 7 3.507 13.205 -1.494 50 HB VAL 7 HB VAL 7 2.619 15.989 -2.238 51 1HG1 VAL 7 HG11 VAL 7 3.006 16.330 0.150 52 2HG1 VAL 7 HG12 VAL 7 4.457 16.869 -0.673 53 3HG1 VAL 7 HG13 VAL 7 4.426 15.291 0.103 54 1HG2 VAL 7 HG21 VAL 7 5.286 14.630 -2.295 55 2HG2 VAL 7 HG22 VAL 7 4.883 16.199 -2.999 56 3HG2 VAL 7 HG23 VAL 7 4.156 14.723 -3.638 57 HA PRO 8 HA PRO 8 0.747 15.568 1.995 58 1HB PRO 8 HB2 PRO 8 -1.771 14.375 0.835 59 2HB PRO 8 HB1 PRO 8 -1.561 15.889 1.734 60 1HG PRO 8 HG2 PRO 8 -1.784 15.729 -1.020 61 2HG PRO 8 HG1 PRO 8 -1.018 17.072 -0.155 62 1HD PRO 8 HD2 PRO 8 0.243 15.134 -1.851 63 2HD PRO 8 HD1 PRO 8 0.968 16.503 -1.029 64 H TYR 9 HN TYR 9 0.454 12.482 0.406 65 HA TYR 9 HA TYR 9 -0.595 10.896 2.440 66 1HB TYR 9 HB2 TYR 9 -0.230 10.131 0.122 67 2HB TYR 9 HB1 TYR 9 1.516 10.172 0.392 68 HD1 TYR 9 HD1 TYR 9 -1.633 8.725 1.818 69 HD2 TYR 9 HD2 TYR 9 2.602 8.242 1.284 70 HE1 TYR 9 HE1 TYR 9 -1.763 6.464 2.829 71 HE2 TYR 9 HE2 TYR 9 2.472 5.983 2.293 72 HH TYR 9 HH TYR 9 -0.614 4.481 3.038 73 H PHE 10 HN PHE 10 2.726 11.968 1.853 74 HA PHE 10 HA PHE 10 3.959 10.414 3.856 75 1HB PHE 10 HB2 PHE 10 4.670 12.784 2.201 76 2HB PHE 10 HB1 PHE 10 5.544 12.695 3.728 77 HD1 PHE 10 HD2 PHE 10 4.325 10.091 1.291 78 HD2 PHE 10 HD1 PHE 10 7.686 11.796 3.362 79 HE1 PHE 10 HE2 PHE 10 5.807 8.352 0.327 80 HE2 PHE 10 HE1 PHE 10 9.154 10.056 2.397 81 HZ PHE 10 HZ PHE 10 8.232 8.338 0.888 82 H ILE 11 HN ILE 11 2.613 13.700 3.946 83 HA ILE 11 HA ILE 11 3.325 14.224 6.619 84 HB ILE 11 HB ILE 11 1.118 15.324 4.873 85 1HG1 ILE 11 HG12 ILE 11 3.700 16.644 5.771 86 2HG1 ILE 11 HG11 ILE 11 3.614 15.706 4.286 87 1HG2 ILE 11 HG21 ILE 11 0.416 15.734 7.153 88 2HG2 ILE 11 HG22 ILE 11 1.152 17.219 6.587 89 3HG2 ILE 11 HG23 ILE 11 2.059 16.147 7.646 90 1HD1 ILE 11 HD11 ILE 11 3.256 18.241 4.089 91 2HD1 ILE 11 HD12 ILE 11 1.688 17.966 4.851 92 3HD1 ILE 11 HD13 ILE 11 2.064 17.202 3.310 93 H GLU 12 HN GLU 12 0.404 12.882 5.155 94 HA GLU 12 HA GLU 12 -1.278 12.750 7.323 95 1HB GLU 12 HB2 GLU 12 -0.864 10.825 5.034 96 2HB GLU 12 HB1 GLU 12 -2.148 10.586 6.212 97 1HG GLU 12 HG2 GLU 12 -1.809 13.160 4.643 98 2HG GLU 12 HG1 GLU 12 -2.835 11.838 4.099 99 H ASN 13 HN ASN 13 1.642 10.984 6.780 100 HA ASN 13 HA ASN 13 1.119 8.888 8.664 101 1HB ASN 13 HB2 ASN 13 3.764 9.882 7.599 102 2HB ASN 13 HB1 ASN 13 3.456 8.341 8.387 103 1HD2 ASN 13 HD21 ASN 13 4.326 8.995 5.515 104 2HD2 ASN 13 HD22 ASN 13 3.209 8.164 4.548 105 H LEU 14 HN LEU 14 2.597 12.074 8.773 106 HA LEU 14 HA LEU 14 3.752 11.838 11.363 107 1HB LEU 14 HB2 LEU 14 2.864 14.403 10.008 108 2HB LEU 14 HB1 LEU 14 4.127 14.201 11.224 109 HG LEU 14 HG LEU 14 4.190 13.012 8.432 110 1HD1 LEU 14 HD11 LEU 14 5.655 15.354 9.660 111 2HD1 LEU 14 HD12 LEU 14 4.477 15.414 8.344 112 3HD1 LEU 14 HD13 LEU 14 6.044 14.639 8.097 113 1HD2 LEU 14 HD21 LEU 14 6.671 12.662 9.152 114 2HD2 LEU 14 HD22 LEU 14 5.455 11.545 9.757 115 3HD2 LEU 14 HD23 LEU 14 6.054 12.832 10.797 116 H LYS 15 HN LYS 15 0.642 12.978 10.164 117 HA LYS 15 HA LYS 15 -0.335 14.086 12.529 118 1HB LYS 15 HB2 LYS 15 -1.784 12.670 10.299 119 2HB LYS 15 HB1 LYS 15 -2.590 13.564 11.592 120 1HG LYS 15 HG2 LYS 15 -0.909 15.542 10.809 121 2HG LYS 15 HG1 LYS 15 -0.902 14.619 9.306 122 1HD LYS 15 HD2 LYS 15 -3.395 15.607 10.720 123 2HD LYS 15 HD1 LYS 15 -2.633 16.393 9.341 124 1HE LYS 15 HE2 LYS 15 -2.924 14.292 8.037 125 2HE LYS 15 HE1 LYS 15 -3.816 13.604 9.392 126 1HZ LYS 15 HZ1 LYS 15 -5.483 15.222 9.170 127 2HZ LYS 15 HZ2 LYS 15 -5.177 14.662 7.596 128 3HZ LYS 15 HZ3 LYS 15 -4.556 16.160 8.105 129 H GLN 16 HN GLN 16 -0.347 10.743 11.381 130 HA GLN 16 HA GLN 16 -1.947 9.701 13.481 131 1HB GLN 16 HB2 GLN 16 -1.519 8.519 11.346 132 2HB GLN 16 HB1 GLN 16 0.162 8.300 11.832 133 1HG GLN 16 HG2 GLN 16 -0.501 6.972 13.753 134 2HG GLN 16 HG1 GLN 16 -2.202 7.314 13.452 135 1HE2 GLN 16 HE21 GLN 16 -1.196 4.632 13.544 136 2HE2 GLN 16 HE22 GLN 16 -1.325 3.966 11.988 137 H HIS 17 HN HIS 17 1.462 10.430 13.186 138 HA HIS 17 HA HIS 17 2.341 8.921 15.424 139 1HB HIS 17 HB2 HIS 17 3.528 11.406 14.180 140 2HB HIS 17 HB1 HIS 17 4.349 10.350 15.309 141 HD1 HIS 17 HD1 HIS 17 2.699 7.862 13.735 142 HD2 HIS 17 HD2 HIS 17 5.584 10.491 12.269 143 HE1 HIS 17 HE1 HIS 17 3.726 6.742 11.707 144 HE2 HIS 17 HE2 HIS 17 5.486 8.332 10.803 145 H ILE 18 HN ILE 18 1.613 12.391 15.069 146 HA ILE 18 HA ILE 18 1.880 12.939 17.881 147 HB ILE 18 HB ILE 18 0.984 15.147 17.301 148 1HG1 ILE 18 HG12 ILE 18 0.435 13.842 14.632 149 2HG1 ILE 18 HG11 ILE 18 -0.754 14.562 15.704 150 1HG2 ILE 18 HG21 ILE 18 3.383 14.417 16.747 151 2HG2 ILE 18 HG22 ILE 18 2.798 15.826 15.882 152 3HG2 ILE 18 HG23 ILE 18 2.858 14.256 15.077 153 1HD1 ILE 18 HD11 ILE 18 0.552 16.759 15.423 154 2HD1 ILE 18 HD12 ILE 18 -0.410 16.208 14.049 155 3HD1 ILE 18 HD13 ILE 18 1.337 15.969 14.054 156 H GLU 19 HN GLU 19 -0.854 12.428 15.676 157 HA GLU 19 HA GLU 19 -2.896 12.986 17.527 158 1HB GLU 19 HB2 GLU 19 -3.247 12.767 15.060 159 2HB GLU 19 HB1 GLU 19 -2.984 11.029 15.204 160 1HG GLU 19 HG2 GLU 19 -5.364 11.403 15.206 161 2HG GLU 19 HG1 GLU 19 -4.928 10.973 16.851 162 H MET 20 HN MET 20 -1.568 9.834 16.497 163 HA MET 20 HA MET 20 -2.782 8.563 18.873 164 1HB MET 20 HB2 MET 20 -1.409 7.251 16.511 165 2HB MET 20 HB1 MET 20 -2.387 6.473 17.754 166 1HG MET 20 HG2 MET 20 -4.346 7.814 17.029 167 2HG MET 20 HG1 MET 20 -3.366 8.503 15.733 168 1HE MET 20 HE1 MET 20 -4.548 7.790 13.670 169 2HE MET 20 HE2 MET 20 -5.857 7.424 14.792 170 3HE MET 20 HE3 MET 20 -5.447 6.272 13.523 171 H ASN 21 HN ASN 21 -0.643 6.416 18.362 172 HA ASN 21 HA ASN 21 1.861 7.547 19.127 173 1HB ASN 21 HB2 ASN 21 0.507 7.888 21.232 174 2HB ASN 21 HB1 ASN 21 0.348 6.138 21.346 175 1HD2 ASN 21 HD21 ASN 21 1.664 5.923 23.264 176 2HD2 ASN 21 HD22 ASN 21 3.331 6.240 23.253 177 H GLN 22 HN GLN 22 1.273 5.798 17.149 178 HA GLN 22 HA GLN 22 1.326 3.067 17.762 179 1HB GLN 22 HB2 GLN 22 0.909 4.033 15.494 180 2HB GLN 22 HB1 GLN 22 2.629 4.409 15.382 181 1HG GLN 22 HG2 GLN 22 3.218 2.063 15.550 182 2HG GLN 22 HG1 GLN 22 1.540 1.620 15.861 183 1HE2 GLN 22 HE21 GLN 22 2.229 0.234 13.796 184 2HE2 GLN 22 HE22 GLN 22 1.852 0.945 12.302 185 H SER 23 HN SER 23 4.003 5.340 17.206 186 HA SER 23 HA SER 23 5.751 4.242 19.065 187 1HB SER 23 HB2 SER 23 5.788 2.856 16.414 188 2HB SER 23 HB1 SER 23 7.345 3.141 17.187 189 HG SER 23 HG SER 23 5.286 1.456 17.884 190 H GLU 24 HN GLU 24 5.674 6.674 18.974 191 HA GLU 24 HA GLU 24 8.099 7.609 17.759 192 1HB GLU 24 HB2 GLU 24 6.188 7.676 15.932 193 2HB GLU 24 HB1 GLU 24 5.632 9.092 16.812 194 1HG GLU 24 HG2 GLU 24 7.121 9.995 15.174 195 2HG GLU 24 HG1 GLU 24 8.095 9.938 16.642 196 H ASP 25 HN ASP 25 6.659 10.366 17.739 197 HA ASP 25 HA ASP 25 6.302 10.805 20.628 198 1HB ASP 25 HB2 ASP 25 8.276 12.390 18.968 199 2HB ASP 25 HB1 ASP 25 7.925 12.584 20.685 200 H LYS 26 HN LYS 26 6.414 13.599 20.460 201 HA LYS 26 HA LYS 26 3.880 14.109 19.035 202 1HB LYS 26 HB2 LYS 26 4.138 14.649 21.482 203 2HB LYS 26 HB1 LYS 26 5.303 15.891 21.045 204 1HG LYS 26 HG2 LYS 26 3.591 17.019 19.655 205 2HG LYS 26 HG1 LYS 26 2.439 15.736 20.015 206 1HD LYS 26 HD2 LYS 26 2.601 16.300 22.425 207 2HD LYS 26 HD1 LYS 26 3.701 17.621 22.027 208 1HE LYS 26 HE2 LYS 26 0.903 17.368 20.888 209 2HE LYS 26 HE1 LYS 26 1.305 18.343 22.301 210 1HZ LYS 26 HZ1 LYS 26 1.517 19.068 19.636 211 2HZ LYS 26 HZ2 LYS 26 3.110 18.904 20.206 212 3HZ LYS 26 HZ3 LYS 26 2.028 19.953 20.990 213 H ILE 27 HN ILE 27 5.658 16.897 19.734 214 HA ILE 27 HA ILE 27 5.640 17.832 17.128 215 HB ILE 27 HB ILE 27 5.924 19.222 19.198 216 1HG1 ILE 27 HG12 ILE 27 7.609 20.799 18.174 217 2HG1 ILE 27 HG11 ILE 27 7.995 19.559 16.991 218 1HG2 ILE 27 HG21 ILE 27 8.839 18.414 19.076 219 2HG2 ILE 27 HG22 ILE 27 7.684 17.663 20.179 220 3HG2 ILE 27 HG23 ILE 27 8.032 19.386 20.306 221 1HD1 ILE 27 HD11 ILE 27 5.107 20.343 17.303 222 2HD1 ILE 27 HD12 ILE 27 5.983 19.794 15.877 223 3HD1 ILE 27 HD13 ILE 27 6.202 21.435 16.461 224 H HIS 28 HN HIS 28 8.097 16.045 18.899 225 HA HIS 28 HA HIS 28 10.061 16.259 16.778 226 1HB HIS 28 HB2 HIS 28 10.029 14.538 19.265 227 2HB HIS 28 HB1 HIS 28 11.400 14.765 18.181 228 HD1 HIS 28 HD1 HIS 28 12.238 17.353 17.941 229 HD2 HIS 28 HD2 HIS 28 9.812 16.495 21.221 230 HE1 HIS 28 HE1 HIS 28 12.532 19.270 19.570 231 HE2 HIS 28 HE2 HIS 28 11.059 18.761 21.575 232 H ALA 29 HN ALA 29 7.327 14.949 16.404 233 HA ALA 29 HA ALA 29 7.770 12.169 16.002 234 1HB ALA 29 HB1 ALA 29 5.671 14.095 15.004 235 2HB ALA 29 HB2 ALA 29 5.510 12.867 16.260 236 3HB ALA 29 HB3 ALA 29 5.655 12.385 14.573 237 H MET 30 HN MET 30 7.569 14.898 13.725 238 HA MET 30 HA MET 30 8.219 13.431 11.428 239 1HB MET 30 HB2 MET 30 8.464 15.529 10.332 240 2HB MET 30 HB1 MET 30 7.267 15.801 11.585 241 1HG MET 30 HG2 MET 30 10.215 16.548 11.713 242 2HG MET 30 HG1 MET 30 8.851 17.650 11.628 243 1HE MET 30 HE1 MET 30 11.027 17.963 13.549 244 2HE MET 30 HE2 MET 30 10.392 18.039 15.192 245 3HE MET 30 HE3 MET 30 9.622 18.973 13.910 246 H ASN 31 HN ASN 31 10.198 14.898 13.918 247 HA ASN 31 HA ASN 31 12.650 15.043 12.662 248 1HB ASN 31 HB2 ASN 31 12.205 15.777 14.990 249 2HB ASN 31 HB1 ASN 31 12.130 14.088 15.483 250 1HD2 ASN 31 HD21 ASN 31 14.044 13.603 16.556 251 2HD2 ASN 31 HD22 ASN 31 15.591 14.062 16.028 252 H SER 32 HN SER 32 11.245 12.222 14.336 253 HA SER 32 HA SER 32 13.401 10.469 13.701 254 1HB SER 32 HB2 SER 32 12.032 9.786 15.507 255 2HB SER 32 HB1 SER 32 10.556 10.083 14.596 256 HG SER 32 HG SER 32 12.097 8.333 13.278 257 H TYR 33 HN TYR 33 10.127 10.795 12.302 258 HA TYR 33 HA TYR 33 10.463 8.911 10.238 259 1HB TYR 33 HB2 TYR 33 8.254 9.688 10.842 260 2HB TYR 33 HB1 TYR 33 8.669 11.352 10.429 261 HD1 TYR 33 HD2 TYR 33 7.968 7.975 9.070 262 HD2 TYR 33 HD1 TYR 33 8.812 12.076 8.109 263 HE1 TYR 33 HE2 TYR 33 7.309 7.559 6.715 264 HE2 TYR 33 HE1 TYR 33 8.156 11.654 5.752 265 HH TYR 33 HH TYR 33 6.579 9.894 4.565 266 H TYR 34 HN TYR 34 10.870 12.444 10.225 267 HA TYR 34 HA TYR 34 11.541 12.801 7.550 268 1HB TYR 34 HB2 TYR 34 11.122 14.674 9.104 269 2HB TYR 34 HB1 TYR 34 12.607 14.293 9.973 270 HD1 TYR 34 HD2 TYR 34 14.817 14.643 8.932 271 HD2 TYR 34 HD1 TYR 34 11.190 15.748 6.928 272 HE1 TYR 34 HE2 TYR 34 16.125 15.992 7.315 273 HE2 TYR 34 HE1 TYR 34 12.496 17.092 5.296 274 HH TYR 34 HH TYR 34 15.916 16.878 5.075 275 H ARG 35 HN ARG 35 13.749 12.358 10.318 276 HA ARG 35 HA ARG 35 16.089 12.231 8.798 277 1HB ARG 35 HB2 ARG 35 15.886 12.507 11.331 278 2HB ARG 35 HB1 ARG 35 15.622 10.767 11.410 279 1HG ARG 35 HG2 ARG 35 17.961 10.838 11.688 280 2HG ARG 35 HG1 ARG 35 17.876 10.670 9.935 281 1HD ARG 35 HD2 ARG 35 17.984 13.173 9.749 282 2HD ARG 35 HD1 ARG 35 18.200 13.254 11.493 283 HE ARG 35 HE ARG 35 20.168 12.460 9.529 284 1HH1 ARG 35 HH21 ARG 35 19.090 12.221 12.807 285 2HH1 ARG 35 HH22 ARG 35 20.659 11.857 13.444 286 1HH2 ARG 35 HH11 ARG 35 22.231 11.988 10.354 287 2HH2 ARG 35 HH12 ARG 35 22.441 11.726 12.053 288 H SER 36 HN SER 36 13.751 9.771 9.697 289 HA SER 36 HA SER 36 15.262 7.513 8.942 290 1HB SER 36 HB2 SER 36 13.191 7.373 10.274 291 2HB SER 36 HB1 SER 36 12.264 7.889 8.875 292 HG SER 36 HG SER 36 12.504 5.537 9.313 293 H VAL 37 HN VAL 37 12.983 9.541 7.139 294 HA VAL 37 HA VAL 37 13.174 8.022 4.727 295 HB VAL 37 HB VAL 37 12.260 10.852 5.334 296 1HG1 VAL 37 HG11 VAL 37 13.018 10.987 3.055 297 2HG1 VAL 37 HG12 VAL 37 11.282 10.765 2.963 298 3HG1 VAL 37 HG13 VAL 37 12.359 9.401 2.672 299 1HG2 VAL 37 HG21 VAL 37 10.042 9.904 4.853 300 2HG2 VAL 37 HG22 VAL 37 10.841 8.979 6.126 301 3HG2 VAL 37 HG23 VAL 37 10.775 8.345 4.479 302 H VAL 38 HN VAL 38 14.553 11.199 5.610 303 HA VAL 38 HA VAL 38 16.106 11.549 3.324 304 HB VAL 38 HB VAL 38 16.684 12.414 6.174 305 1HG1 VAL 38 HG11 VAL 38 17.935 13.232 3.539 306 2HG1 VAL 38 HG12 VAL 38 18.750 12.632 4.978 307 3HG1 VAL 38 HG13 VAL 38 18.033 14.242 4.978 308 1HG2 VAL 38 HG21 VAL 38 14.645 13.453 5.588 309 2HG2 VAL 38 HG22 VAL 38 15.074 13.614 3.894 310 3HG2 VAL 38 HG23 VAL 38 15.816 14.660 5.095 311 H SER 39 HN SER 39 17.049 10.044 6.420 312 HA SER 39 HA SER 39 19.671 9.395 5.662 313 1HB SER 39 HB2 SER 39 19.602 7.794 7.503 314 2HB SER 39 HB1 SER 39 18.820 9.298 7.981 315 HG SER 39 HG SER 39 17.758 7.044 8.259 316 H THR 40 HN THR 40 16.651 7.535 5.414 317 HA THR 40 HA THR 40 17.789 5.187 4.358 318 HB THR 40 HB THR 40 15.021 6.352 3.940 319 HG1 THR 40 HG1 THR 40 14.528 4.853 5.600 320 1HG2 THR 40 HG21 THR 40 14.461 3.896 3.517 321 2HG2 THR 40 HG22 THR 40 16.195 3.623 3.333 322 3HG2 THR 40 HG23 THR 40 15.350 4.707 2.227 323 H LEU 41 HN LEU 41 16.348 7.996 2.713 324 HA LEU 41 HA LEU 41 16.839 7.038 0.086 325 1HB LEU 41 HB2 LEU 41 16.398 9.839 1.150 326 2HB LEU 41 HB1 LEU 41 16.457 9.448 -0.567 327 HG LEU 41 HG LEU 41 14.514 8.224 1.424 328 1HD1 LEU 41 HD11 LEU 41 14.112 10.642 1.012 329 2HD1 LEU 41 HD12 LEU 41 12.821 9.635 0.354 330 3HD1 LEU 41 HD13 LEU 41 14.044 10.311 -0.715 331 1HD2 LEU 41 HD21 LEU 41 13.370 7.696 -0.953 332 2HD2 LEU 41 HD22 LEU 41 14.581 6.629 -0.274 333 3HD2 LEU 41 HD23 LEU 41 15.040 7.785 -1.522 334 H VAL 42 HN VAL 42 18.658 9.118 2.257 335 HA VAL 42 HA VAL 42 20.775 9.447 0.294 336 HB VAL 42 HB VAL 42 20.574 10.361 3.177 337 1HG1 VAL 42 HG11 VAL 42 22.744 10.541 1.089 338 2HG1 VAL 42 HG12 VAL 42 22.865 10.642 2.842 339 3HG1 VAL 42 HG13 VAL 42 22.387 12.057 1.922 340 1HG2 VAL 42 HG21 VAL 42 20.219 11.952 0.615 341 2HG2 VAL 42 HG22 VAL 42 19.952 12.510 2.264 342 3HG2 VAL 42 HG23 VAL 42 18.869 11.314 1.554 343 H GLN 43 HN GLN 43 20.070 6.758 1.375 344 HA GLN 43 HA GLN 43 22.761 5.879 1.829 345 1HB GLN 43 HB2 GLN 43 21.869 6.689 4.130 346 2HB GLN 43 HB1 GLN 43 20.831 5.265 4.081 347 1HG GLN 43 HG2 GLN 43 22.793 3.811 3.907 348 2HG GLN 43 HG1 GLN 43 23.854 5.209 3.833 349 1HE2 GLN 43 HE21 GLN 43 24.140 3.241 5.854 350 2HE2 GLN 43 HE22 GLN 43 23.725 3.940 7.343 351 H ASP 44 HN ASP 44 19.988 5.501 0.383 352 HA ASP 44 HA ASP 44 20.385 2.630 -0.002 353 1HB ASP 44 HB2 ASP 44 18.694 3.010 1.918 354 2HB ASP 44 HB1 ASP 44 17.603 3.639 0.686 355 H GLN 45 HN GLN 45 20.414 5.370 -1.418 356 HA GLN 45 HA GLN 45 19.148 4.389 -3.872 357 1HB GLN 45 HB2 GLN 45 17.425 5.785 -2.703 358 2HB GLN 45 HB1 GLN 45 18.538 7.147 -2.766 359 1HG GLN 45 HG2 GLN 45 18.604 6.978 -5.234 360 2HG GLN 45 HG1 GLN 45 17.478 5.628 -5.161 361 1HE2 GLN 45 HE21 GLN 45 15.391 6.299 -5.620 362 2HE2 GLN 45 HE22 GLN 45 14.735 7.804 -5.195 363 H LEU 46 HN LEU 46 20.259 7.634 -2.999 364 HA LEU 46 HA LEU 46 21.831 8.973 -3.994 365 1HB LEU 46 HB2 LEU 46 23.315 6.364 -3.772 366 2HB LEU 46 HB1 LEU 46 24.104 7.893 -4.165 367 HG LEU 46 HG LEU 46 22.355 7.735 -1.685 368 1HD1 LEU 46 HD11 LEU 46 24.398 7.111 -0.378 369 2HD1 LEU 46 HD12 LEU 46 25.221 6.770 -1.901 370 3HD1 LEU 46 HD13 LEU 46 23.815 5.817 -1.426 371 1HD2 LEU 46 HD21 LEU 46 24.915 9.249 -2.316 372 2HD2 LEU 46 HD22 LEU 46 23.891 9.479 -0.902 373 3HD2 LEU 46 HD23 LEU 46 23.299 9.921 -2.496 374 H THR 47 HN THR 47 20.006 8.093 -5.837 375 HA THR 47 HA THR 47 21.412 7.021 -8.148 376 HB THR 47 HB THR 47 19.068 6.386 -7.629 377 HG1 THR 47 HG1 THR 47 18.410 6.596 -9.761 378 1HG2 THR 47 HG21 THR 47 18.454 8.742 -6.817 379 2HG2 THR 47 HG22 THR 47 17.277 7.955 -7.871 380 3HG2 THR 47 HG23 THR 47 18.359 9.180 -8.518 381 H LYS 48 HN LYS 48 20.411 10.088 -6.874 382 HA LYS 48 HA LYS 48 22.030 11.535 -8.673 383 1HB LYS 48 HB2 LYS 48 20.028 10.899 -10.164 384 2HB LYS 48 HB1 LYS 48 19.080 11.937 -9.136 385 1HG LYS 48 HG2 LYS 48 19.677 13.477 -10.781 386 2HG LYS 48 HG1 LYS 48 20.993 13.723 -9.633 387 1HD LYS 48 HD2 LYS 48 22.326 12.003 -10.929 388 2HD LYS 48 HD1 LYS 48 21.031 11.998 -12.124 389 1HE LYS 48 HE2 LYS 48 22.603 14.431 -11.264 390 2HE LYS 48 HE1 LYS 48 22.864 13.526 -12.755 391 1HZ LYS 48 HZ1 LYS 48 21.467 15.363 -13.253 392 2HZ LYS 48 HZ2 LYS 48 20.422 15.009 -11.959 393 3HZ LYS 48 HZ3 LYS 48 20.497 13.973 -13.303 394 H ASN 49 HN ASN 49 22.535 13.451 -7.791 395 HA ASN 49 HA ASN 49 21.793 14.185 -5.228 396 1HB ASN 49 HB2 ASN 49 22.682 15.994 -7.463 397 2HB ASN 49 HB1 ASN 49 22.655 16.416 -5.751 398 1HD2 ASN 49 HD21 ASN 49 23.409 13.361 -5.329 399 2HD2 ASN 49 HD22 ASN 49 25.091 13.378 -5.542 400 H ALA 50 HN ALA 50 20.435 15.351 -8.317 401 HA ALA 50 HA ALA 50 18.595 17.182 -7.197 402 1HB ALA 50 HB1 ALA 50 19.155 17.106 -9.584 403 2HB ALA 50 HB2 ALA 50 17.412 17.030 -9.322 404 3HB ALA 50 HB3 ALA 50 18.313 15.566 -9.725 405 H VAL 51 HN VAL 51 18.195 13.760 -8.088 406 HA VAL 51 HA VAL 51 15.478 13.507 -7.451 407 HB VAL 51 HB VAL 51 17.757 11.527 -7.333 408 1HG1 VAL 51 HG11 VAL 51 15.855 9.773 -7.301 409 2HG1 VAL 51 HG12 VAL 51 14.836 11.078 -6.704 410 3HG1 VAL 51 HG13 VAL 51 16.244 10.565 -5.775 411 1HG2 VAL 51 HG21 VAL 51 15.376 11.597 -9.219 412 2HG2 VAL 51 HG22 VAL 51 16.906 10.759 -9.443 413 3HG2 VAL 51 HG23 VAL 51 16.841 12.514 -9.559 414 H VAL 52 HN VAL 52 18.313 13.020 -5.358 415 HA VAL 52 HA VAL 52 16.675 12.477 -3.035 416 HB VAL 52 HB VAL 52 18.827 12.494 -1.817 417 1HG1 VAL 52 HG11 VAL 52 18.124 10.446 -2.960 418 2HG1 VAL 52 HG12 VAL 52 19.872 10.621 -3.101 419 3HG1 VAL 52 HG13 VAL 52 18.835 11.013 -4.473 420 1HG2 VAL 52 HG21 VAL 52 20.087 14.221 -2.927 421 2HG2 VAL 52 HG22 VAL 52 19.851 13.436 -4.465 422 3HG2 VAL 52 HG23 VAL 52 20.923 12.719 -3.298 423 H LEU 53 HN LEU 53 18.767 15.134 -4.095 424 HA LEU 53 HA LEU 53 18.466 16.824 -1.944 425 1HB LEU 53 HB2 LEU 53 20.042 17.229 -3.790 426 2HB LEU 53 HB1 LEU 53 18.695 17.602 -4.861 427 HG LEU 53 HG LEU 53 19.055 19.132 -2.264 428 1HD1 LEU 53 HD11 LEU 53 21.205 19.314 -3.373 429 2HD1 LEU 53 HD12 LEU 53 20.333 20.841 -3.519 430 3HD1 LEU 53 HD13 LEU 53 20.416 19.740 -4.893 431 1HD2 LEU 53 HD21 LEU 53 17.396 19.460 -4.757 432 2HD2 LEU 53 HD22 LEU 53 18.086 20.937 -4.096 433 3HD2 LEU 53 HD23 LEU 53 17.067 19.928 -3.097 434 H LYS 54 HN LYS 54 16.610 17.018 -4.979 435 HA LYS 54 HA LYS 54 14.785 18.945 -4.251 436 1HB LYS 54 HB2 LYS 54 13.416 18.159 -6.025 437 2HB LYS 54 HB1 LYS 54 15.049 17.689 -6.496 438 1HG LYS 54 HG2 LYS 54 14.527 15.422 -5.365 439 2HG LYS 54 HG1 LYS 54 12.851 15.924 -5.353 440 1HD LYS 54 HD2 LYS 54 14.590 15.709 -7.819 441 2HD LYS 54 HD1 LYS 54 13.343 14.561 -7.328 442 1HE LYS 54 HE2 LYS 54 11.711 16.552 -7.346 443 2HE LYS 54 HE1 LYS 54 12.974 17.421 -8.221 444 1HZ LYS 54 HZ1 LYS 54 12.937 15.820 -9.932 445 2HZ LYS 54 HZ2 LYS 54 11.328 16.279 -9.637 446 3HZ LYS 54 HZ3 LYS 54 11.911 14.794 -9.054 447 H ARG 55 HN ARG 55 14.842 15.543 -3.407 448 HA ARG 55 HA ARG 55 12.242 15.419 -2.310 449 1HB ARG 55 HB2 ARG 55 14.363 13.578 -2.751 450 2HB ARG 55 HB1 ARG 55 14.164 13.570 -1.008 451 1HG ARG 55 HG2 ARG 55 12.654 11.889 -1.760 452 2HG ARG 55 HG1 ARG 55 11.614 13.283 -1.482 453 1HD ARG 55 HD2 ARG 55 11.698 13.832 -3.894 454 2HD ARG 55 HD1 ARG 55 12.789 12.480 -4.168 455 HE ARG 55 HE ARG 55 10.455 11.539 -2.916 456 1HH1 ARG 55 HH21 ARG 55 11.594 12.918 -5.878 457 2HH1 ARG 55 HH22 ARG 55 10.410 12.126 -6.864 458 1HH2 ARG 55 HH11 ARG 55 8.900 10.494 -4.202 459 2HH2 ARG 55 HH12 ARG 55 8.883 10.753 -5.914 460 H ILE 56 HN ILE 56 15.374 16.265 -0.973 461 HA ILE 56 HA ILE 56 14.535 16.327 1.730 462 HB ILE 56 HB ILE 56 16.725 18.030 0.488 463 1HG1 ILE 56 HG12 ILE 56 17.101 15.820 -0.318 464 2HG1 ILE 56 HG11 ILE 56 18.217 16.039 0.993 465 1HG2 ILE 56 HG21 ILE 56 17.782 17.742 2.666 466 2HG2 ILE 56 HG22 ILE 56 16.466 16.692 3.192 467 3HG2 ILE 56 HG23 ILE 56 16.160 18.400 2.883 468 1HD1 ILE 56 HD11 ILE 56 15.674 14.402 0.937 469 2HD1 ILE 56 HD12 ILE 56 16.406 14.903 2.457 470 3HD1 ILE 56 HD13 ILE 56 17.307 13.878 1.346 471 H GLN 57 HN GLN 57 14.905 18.915 -0.680 472 HA GLN 57 HA GLN 57 13.998 21.005 0.930 473 1HB GLN 57 HB2 GLN 57 13.781 20.625 -2.066 474 2HB GLN 57 HB1 GLN 57 13.517 22.152 -1.223 475 1HG GLN 57 HG2 GLN 57 16.089 20.556 -1.042 476 2HG GLN 57 HG1 GLN 57 15.841 21.884 -2.175 477 1HE2 GLN 57 HE21 GLN 57 15.737 24.066 -1.299 478 2HE2 GLN 57 HE22 GLN 57 16.181 24.403 0.304 479 H HIS 58 HN HIS 58 12.238 18.742 -1.138 480 HA HIS 58 HA HIS 58 9.688 19.987 -0.712 481 1HB HIS 58 HB2 HIS 58 9.547 18.696 -2.643 482 2HB HIS 58 HB1 HIS 58 10.716 17.526 -2.053 483 HD1 HIS 58 HD1 HIS 58 9.787 15.817 -0.176 484 HD2 HIS 58 HD2 HIS 58 6.886 17.919 -2.308 485 HE1 HIS 58 HE1 HIS 58 7.598 14.603 0.207 486 HE2 HIS 58 HE2 HIS 58 5.829 15.866 -1.092 487 H LEU 59 HN LEU 59 11.305 17.112 0.622 488 HA LEU 59 HA LEU 59 9.236 16.242 2.234 489 1HB LEU 59 HB2 LEU 59 11.340 14.981 1.810 490 2HB LEU 59 HB1 LEU 59 12.193 16.106 2.863 491 HG LEU 59 HG LEU 59 10.587 15.444 4.708 492 1HD1 LEU 59 HD11 LEU 59 9.522 13.077 4.226 493 2HD1 LEU 59 HD12 LEU 59 9.584 13.597 2.545 494 3HD1 LEU 59 HD13 LEU 59 8.682 14.536 3.731 495 1HD2 LEU 59 HD21 LEU 59 12.138 13.136 3.549 496 2HD2 LEU 59 HD22 LEU 59 11.723 13.398 5.242 497 3HD2 LEU 59 HD23 LEU 59 12.868 14.469 4.439 498 H ASP 60 HN ASP 60 11.576 18.793 2.729 499 HA ASP 60 HA ASP 60 11.269 19.204 5.466 500 1HB ASP 60 HB2 ASP 60 11.996 20.970 3.148 501 2HB ASP 60 HB1 ASP 60 11.765 21.715 4.722 502 H GLU 61 HN GLU 61 9.249 20.195 2.765 503 HA GLU 61 HA GLU 61 7.635 22.097 3.965 504 1HB GLU 61 HB2 GLU 61 6.157 21.784 2.184 505 2HB GLU 61 HB1 GLU 61 7.658 21.118 1.536 506 1HG GLU 61 HG2 GLU 61 6.801 18.821 2.452 507 2HG GLU 61 HG1 GLU 61 5.244 19.610 2.614 508 H ALA 62 HN ALA 62 7.675 18.624 4.368 509 HA ALA 62 HA ALA 62 5.150 18.486 5.743 510 1HB ALA 62 HB1 ALA 62 5.841 16.538 4.535 511 2HB ALA 62 HB2 ALA 62 5.912 16.126 6.248 512 3HB ALA 62 HB3 ALA 62 7.389 16.489 5.370 513 H TYR 63 HN TYR 63 8.549 18.508 6.637 514 HA TYR 63 HA TYR 63 8.276 17.971 9.346 515 1HB TYR 63 HB2 TYR 63 10.543 18.039 8.877 516 2HB TYR 63 HB1 TYR 63 10.315 19.229 7.606 517 HD1 TYR 63 HD1 TYR 63 10.262 21.638 8.100 518 HD2 TYR 63 HD2 TYR 63 10.930 18.744 11.200 519 HE1 TYR 63 HE1 TYR 63 11.016 23.442 9.625 520 HE2 TYR 63 HE2 TYR 63 11.677 20.544 12.726 521 HH TYR 63 HH TYR 63 12.200 22.704 12.893 522 H ASN 64 HN ASN 64 8.206 21.106 7.640 523 HA ASN 64 HA ASN 64 7.717 22.605 10.036 524 1HB ASN 64 HB2 ASN 64 7.160 24.452 8.357 525 2HB ASN 64 HB1 ASN 64 8.785 23.773 8.260 526 1HD2 ASN 64 HD21 ASN 64 5.515 23.303 6.831 527 2HD2 ASN 64 HD22 ASN 64 6.102 22.838 5.308 528 H LYS 65 HN LYS 65 5.784 20.833 7.825 529 HA LYS 65 HA LYS 65 3.346 22.205 8.229 530 1HB LYS 65 HB2 LYS 65 3.915 20.508 6.398 531 2HB LYS 65 HB1 LYS 65 3.589 19.255 7.575 532 1HG LYS 65 HG2 LYS 65 1.465 19.501 6.611 533 2HG LYS 65 HG1 LYS 65 1.318 20.650 7.924 534 1HD LYS 65 HD2 LYS 65 1.968 22.476 6.365 535 2HD LYS 65 HD1 LYS 65 2.096 21.299 5.060 536 1HE LYS 65 HE2 LYS 65 -0.066 22.369 4.937 537 2HE LYS 65 HE1 LYS 65 -0.291 20.693 5.439 538 1HZ LYS 65 HZ1 LYS 65 -1.379 22.724 6.722 539 2HZ LYS 65 HZ2 LYS 65 0.102 22.659 7.554 540 3HZ LYS 65 HZ3 LYS 65 -0.913 21.297 7.509 541 H VAL 66 HN VAL 66 4.727 19.314 9.713 542 HA VAL 66 HA VAL 66 2.582 18.692 11.377 543 HB VAL 66 HB VAL 66 4.913 17.450 10.917 544 1HG1 VAL 66 HG11 VAL 66 5.519 18.728 13.609 545 2HG1 VAL 66 HG12 VAL 66 6.203 19.272 12.101 546 3HG1 VAL 66 HG13 VAL 66 6.550 17.668 12.671 547 1HG2 VAL 66 HG21 VAL 66 3.425 17.334 13.551 548 2HG2 VAL 66 HG22 VAL 66 4.561 16.103 12.999 549 3HG2 VAL 66 HG23 VAL 66 3.070 16.399 12.101 550 H LYS 67 HN LYS 67 5.284 20.918 11.845 551 HA LYS 67 HA LYS 67 4.729 21.542 14.546 552 1HB LYS 67 HB2 LYS 67 6.159 23.226 12.486 553 2HB LYS 67 HB1 LYS 67 6.227 23.391 14.234 554 1HG LYS 67 HG2 LYS 67 6.920 20.684 13.905 555 2HG LYS 67 HG1 LYS 67 7.631 21.424 12.484 556 1HD LYS 67 HD2 LYS 67 8.081 22.371 15.313 557 2HD LYS 67 HD1 LYS 67 9.178 21.308 14.422 558 1HE LYS 67 HE2 LYS 67 9.329 23.111 12.635 559 2HE LYS 67 HE1 LYS 67 8.415 24.171 13.704 560 1HZ LYS 67 HZ1 LYS 67 10.128 24.366 15.143 561 2HZ LYS 67 HZ2 LYS 67 11.019 24.119 13.717 562 3HZ LYS 67 HZ3 LYS 67 10.763 22.832 14.796 563 H ARG 68 HN ARG 68 3.943 23.127 11.498 564 HA ARG 68 HA ARG 68 2.661 25.381 12.494 565 1HB ARG 68 HB2 ARG 68 2.350 23.767 9.950 566 2HB ARG 68 HB1 ARG 68 1.326 25.168 10.251 567 1HG ARG 68 HG2 ARG 68 3.263 26.610 10.453 568 2HG ARG 68 HG1 ARG 68 4.354 25.240 10.306 569 1HD ARG 68 HD2 ARG 68 3.524 24.805 8.037 570 2HD ARG 68 HD1 ARG 68 2.382 26.138 8.190 571 HE ARG 68 HE ARG 68 4.911 27.192 8.696 572 1HH1 ARG 68 HH21 ARG 68 3.214 25.592 6.141 573 2HH1 ARG 68 HH22 ARG 68 4.103 26.370 4.875 574 1HH2 ARG 68 HH11 ARG 68 6.082 28.218 7.042 575 2HH2 ARG 68 HH12 ARG 68 5.727 27.858 5.386 576 H GLY 69 HN GLY 69 1.547 22.076 12.165 577 1HA GLY 69 HA2 GLY 69 -1.214 22.713 12.726 578 2HA GLY 69 HA1 GLY 69 -0.504 21.107 12.594 579 H GLU 70 HN GLU 70 1.626 22.293 14.555 580 HA GLU 70 HA GLU 70 0.176 21.480 17.003 581 1HB GLU 70 HB2 GLU 70 3.123 21.776 16.379 582 2HB GLU 70 HB1 GLU 70 2.486 21.335 17.964 583 1HG GLU 70 HG2 GLU 70 1.641 19.750 15.518 584 2HG GLU 70 HG1 GLU 70 3.178 19.405 16.291 585 H SER 71 HN SER 71 1.634 22.660 18.937 586 HA SER 71 HA SER 71 1.932 25.492 18.536 587 1HB SER 71 HB2 SER 71 0.073 26.252 19.833 588 2HB SER 71 HB1 SER 71 -0.576 25.145 18.627 589 HG SER 71 HG SER 71 -0.762 23.584 20.170 590 H LYS 72 HN LYS 72 3.416 26.175 19.930 591 HA LYS 72 HA LYS 72 3.472 25.196 22.660 592 1HB LYS 72 HB2 LYS 72 4.868 23.633 20.974 593 2HB LYS 72 HB1 LYS 72 6.093 24.880 21.186 594 1HG LYS 72 HG2 LYS 72 4.735 23.328 23.410 595 2HG LYS 72 HG1 LYS 72 6.386 23.090 22.838 596 1HD LYS 72 HD2 LYS 72 6.794 25.567 23.421 597 2HD LYS 72 HD1 LYS 72 5.241 25.516 24.259 598 1HE LYS 72 HE2 LYS 72 7.589 23.706 24.836 599 2HE LYS 72 HE1 LYS 72 7.100 25.095 25.807 600 1HZ LYS 72 HZ1 LYS 72 4.842 23.941 25.900 601 2HZ LYS 72 HZ2 LYS 72 6.098 23.294 26.845 602 3HZ LYS 72 HZ3 LYS 72 5.665 22.551 25.380 603 H LEU 73 HN LEU 73 3.499 27.088 23.656 604 HA LEU 73 HA LEU 73 4.708 29.416 22.577 605 1HB LEU 73 HB2 LEU 73 2.784 29.369 24.220 606 2HB LEU 73 HB1 LEU 73 3.944 28.919 25.464 607 HG LEU 73 HG LEU 73 5.255 31.014 24.917 608 1HD1 LEU 73 HD11 LEU 73 4.698 31.711 22.768 609 2HD1 LEU 73 HD12 LEU 73 3.680 32.789 23.701 610 3HD1 LEU 73 HD13 LEU 73 2.984 31.353 22.953 611 1HD2 LEU 73 HD21 LEU 73 3.734 30.983 26.823 612 2HD2 LEU 73 HD22 LEU 73 2.372 31.367 25.768 613 3HD2 LEU 73 HD23 LEU 73 3.653 32.551 26.017 614 H GLU 74 HN GLU 74 6.832 28.236 22.176 615 HA GLU 74 HA GLU 74 8.574 27.507 24.257 616 1HB GLU 74 HB2 GLU 74 9.202 28.648 21.526 617 2HB GLU 74 HB1 GLU 74 10.374 27.870 22.591 618 1HG GLU 74 HG2 GLU 74 9.019 25.802 22.544 619 2HG GLU 74 HG1 GLU 74 7.866 26.589 21.481 620 H HIS 75 HN HIS 75 9.896 30.067 22.390 621 HA HIS 75 HA HIS 75 9.480 32.187 24.303 622 1HB HIS 75 HB2 HIS 75 11.154 30.743 25.481 623 2HB HIS 75 HB1 HIS 75 12.255 30.981 24.124 624 HD1 HIS 75 HD1 HIS 75 13.951 32.678 24.802 625 HD2 HIS 75 HD2 HIS 75 10.141 33.695 26.157 626 HE1 HIS 75 HE1 HIS 75 14.171 34.934 25.932 627 HE2 HIS 75 HE2 HIS 75 11.856 35.568 26.764 628 H HIS 76 HN HIS 76 10.241 34.177 23.568 629 HA HIS 76 HA HIS 76 10.680 35.736 21.939 630 1HB HIS 76 HB2 HIS 76 12.980 34.848 22.399 631 2HB HIS 76 HB1 HIS 76 12.766 33.722 21.059 632 HD1 HIS 76 HD1 HIS 76 12.812 34.684 18.660 633 HD2 HIS 76 HD2 HIS 76 13.268 37.589 21.616 634 HE1 HIS 76 HE1 HIS 76 13.534 36.803 17.477 635 HE2 HIS 76 HE2 HIS 76 13.816 38.584 19.265 636 H HIS 77 HN HIS 77 8.878 35.774 20.661 637 HA HIS 77 HA HIS 77 8.163 33.759 18.800 638 1HB HIS 77 HB2 HIS 77 6.592 35.444 17.914 639 2HB HIS 77 HB1 HIS 77 6.532 35.364 19.674 640 HD1 HIS 77 HD1 HIS 77 7.656 37.335 21.003 641 HD2 HIS 77 HD2 HIS 77 7.563 37.887 16.871 642 HE1 HIS 77 HE1 HIS 77 8.206 39.772 20.593 643 HE2 HIS 77 HE2 HIS 77 8.153 40.125 18.079 644 H HIS 78 HN HIS 78 8.622 33.493 16.670 645 HA HIS 78 HA HIS 78 11.002 34.547 15.603 646 1HB HIS 78 HB2 HIS 78 8.635 33.233 14.238 647 2HB HIS 78 HB1 HIS 78 10.166 33.578 13.434 648 HD1 HIS 78 HD1 HIS 78 8.566 31.267 15.886 649 HD2 HIS 78 HD2 HIS 78 12.386 32.009 14.390 650 HE1 HIS 78 HE1 HIS 78 10.006 29.307 16.594 651 HE2 HIS 78 HE2 HIS 78 12.339 29.744 15.690 652 H HIS 79 HN HIS 79 7.605 35.353 14.874 653 HA HIS 79 HA HIS 79 8.211 38.110 14.433 654 1HB HIS 79 HB2 HIS 79 9.121 37.153 12.328 655 2HB HIS 79 HB1 HIS 79 7.534 36.467 11.979 656 HD1 HIS 79 HD1 HIS 79 9.056 39.889 12.727 657 HD2 HIS 79 HD2 HIS 79 5.884 38.210 10.605 658 HE1 HIS 79 HE1 HIS 79 7.935 41.792 11.489 659 HE2 HIS 79 HE2 HIS 79 6.000 40.786 10.189 660 H HIS 80 HN HIS 80 6.420 39.252 14.830 661 HA HIS 80 HA HIS 80 3.810 38.490 13.973 662 1HB HIS 80 HB2 HIS 80 4.082 36.855 15.813 663 2HB HIS 80 HB1 HIS 80 4.384 38.185 16.932 664 HD1 HIS 80 HD1 HIS 80 1.677 37.192 14.420 665 HD2 HIS 80 HD2 HIS 80 2.063 39.091 18.111 666 HE1 HIS 80 HE1 HIS 80 -0.672 37.741 15.192 667 HE2 HIS 80 HE2 HIS 80 -0.453 38.899 17.442 668 1H MET 1 HT1 MET 1 45.534 31.626 7.236 669 2H MET 1 HT2 MET 1 45.253 33.019 8.168 670 3H MET 1 HT3 MET 1 44.253 32.665 6.842 671 HA MET 1 HA MET 1 44.235 30.452 8.562 672 1HB MET 1 HB2 MET 1 43.705 33.148 9.851 673 2HB MET 1 HB1 MET 1 43.170 31.610 10.532 674 1HG MET 1 HG2 MET 1 45.494 30.827 10.643 675 2HG MET 1 HG1 MET 1 46.049 32.336 9.917 676 1HE MET 1 HE1 MET 1 47.274 32.514 13.584 677 2HE MET 1 HE2 MET 1 47.644 32.065 11.921 678 3HE MET 1 HE3 MET 1 46.797 30.926 12.966 679 H SER 2 HN SER 2 41.801 30.450 9.500 680 HA SER 2 HA SER 2 39.856 31.853 7.913 681 1HB SER 2 HB2 SER 2 38.961 29.720 6.839 682 2HB SER 2 HB1 SER 2 40.466 30.337 6.164 683 HG SER 2 HG SER 2 40.732 28.618 8.313 684 H GLU 3 HN GLU 3 40.764 29.450 10.244 685 HA GLU 3 HA GLU 3 39.663 28.549 12.055 686 1HB GLU 3 HB2 GLU 3 37.935 31.017 11.715 687 2HB GLU 3 HB1 GLU 3 38.002 29.999 13.149 688 1HG GLU 3 HG2 GLU 3 40.406 31.422 11.977 689 2HG GLU 3 HG1 GLU 3 39.435 32.060 13.301 690 H LEU 4 HN LEU 4 37.734 27.436 12.741 691 HA LEU 4 HA LEU 4 35.967 26.014 12.327 692 1HB LEU 4 HB2 LEU 4 35.111 28.157 10.365 693 2HB LEU 4 HB1 LEU 4 34.083 26.962 11.146 694 HG LEU 4 HG LEU 4 35.645 29.127 12.591 695 1HD1 LEU 4 HD11 LEU 4 33.388 30.079 13.032 696 2HD1 LEU 4 HD12 LEU 4 32.697 28.877 11.943 697 3HD1 LEU 4 HD13 LEU 4 33.812 30.095 11.319 698 1HD2 LEU 4 HD21 LEU 4 33.824 26.886 13.531 699 2HD2 LEU 4 HD22 LEU 4 34.005 28.359 14.485 700 3HD2 LEU 4 HD23 LEU 4 35.407 27.358 14.146 701 H PHE 5 HN PHE 5 38.372 26.457 10.264 702 HA PHE 5 HA PHE 5 37.386 25.333 7.839 703 1HB PHE 5 HB2 PHE 5 39.730 25.087 7.236 704 2HB PHE 5 HB1 PHE 5 39.463 26.665 7.974 705 HD1 PHE 5 HD1 PHE 5 40.937 23.318 8.442 706 HD2 PHE 5 HD2 PHE 5 40.313 27.177 10.216 707 HE1 PHE 5 HE1 PHE 5 42.624 22.790 10.181 708 HE2 PHE 5 HE2 PHE 5 41.999 26.651 11.958 709 HZ PHE 5 HZ PHE 5 43.155 24.457 11.940 710 H SER 6 HN SER 6 38.730 24.026 10.800 711 HA SER 6 HA SER 6 38.974 21.343 9.746 712 1HB SER 6 HB2 SER 6 40.043 20.872 11.762 713 2HB SER 6 HB1 SER 6 40.147 22.620 11.854 714 HG SER 6 HG SER 6 38.294 20.879 13.081 715 H VAL 7 HN VAL 7 37.498 19.783 9.754 716 HA VAL 7 HA VAL 7 34.767 20.345 10.329 717 HB VAL 7 HB VAL 7 35.827 17.510 10.088 718 1HG1 VAL 7 HG11 VAL 7 33.434 17.947 10.434 719 2HG1 VAL 7 HG12 VAL 7 33.780 17.157 8.893 720 3HG1 VAL 7 HG13 VAL 7 33.418 18.882 8.940 721 1HG2 VAL 7 HG21 VAL 7 35.764 17.854 7.590 722 2HG2 VAL 7 HG22 VAL 7 37.099 18.670 8.395 723 3HG2 VAL 7 HG23 VAL 7 35.679 19.587 7.891 724 HA PRO 8 HA PRO 8 35.855 17.331 14.135 725 1HB PRO 8 HB2 PRO 8 38.406 18.834 14.762 726 2HB PRO 8 HB1 PRO 8 38.025 17.119 15.041 727 1HG PRO 8 HG2 PRO 8 39.597 17.836 13.016 728 2HG PRO 8 HG1 PRO 8 38.395 16.546 12.802 729 1HD PRO 8 HD2 PRO 8 38.330 19.363 11.885 730 2HD PRO 8 HD1 PRO 8 37.729 17.922 11.081 731 H TYR 9 HN TYR 9 36.459 20.754 13.702 732 HA TYR 9 HA TYR 9 36.019 21.641 16.328 733 1HB TYR 9 HB2 TYR 9 36.949 23.048 14.500 734 2HB TYR 9 HB1 TYR 9 35.356 23.075 13.743 735 HD1 TYR 9 HD1 TYR 9 37.335 24.190 16.659 736 HD2 TYR 9 HD2 TYR 9 33.509 24.350 14.713 737 HE1 TYR 9 HE1 TYR 9 36.664 26.065 18.136 738 HE2 TYR 9 HE2 TYR 9 32.837 26.225 16.190 739 HH TYR 9 HH TYR 9 34.052 26.936 18.921 740 H PHE 10 HN PHE 10 33.791 20.997 13.673 741 HA PHE 10 HA PHE 10 31.450 21.997 14.873 742 1HB PHE 10 HB2 PHE 10 32.124 20.181 12.615 743 2HB PHE 10 HB1 PHE 10 30.545 19.856 13.315 744 HD1 PHE 10 HD2 PHE 10 32.372 23.118 12.963 745 HD2 PHE 10 HD1 PHE 10 29.028 20.730 11.719 746 HE1 PHE 10 HE2 PHE 10 31.425 25.066 11.760 747 HE2 PHE 10 HE1 PHE 10 28.078 22.676 10.521 748 HZ PHE 10 HZ PHE 10 29.263 24.838 10.541 749 H ILE 11 HN ILE 11 32.970 18.806 15.093 750 HA ILE 11 HA ILE 11 30.881 17.640 16.603 751 HB ILE 11 HB ILE 11 33.816 16.896 16.582 752 1HG1 ILE 11 HG12 ILE 11 31.570 15.944 14.786 753 2HG1 ILE 11 HG11 ILE 11 32.813 17.071 14.284 754 1HG2 ILE 11 HG21 ILE 11 31.309 15.257 17.102 755 2HG2 ILE 11 HG22 ILE 11 32.404 15.826 18.359 756 3HG2 ILE 11 HG23 ILE 11 32.963 14.661 17.167 757 1HD1 ILE 11 HD11 ILE 11 34.541 15.369 14.853 758 2HD1 ILE 11 HD12 ILE 11 33.456 14.843 13.567 759 3HD1 ILE 11 HD13 ILE 11 33.250 14.224 15.204 760 H GLU 12 HN GLU 12 33.927 19.216 17.484 761 HA GLU 12 HA GLU 12 33.975 18.789 20.207 762 1HB GLU 12 HB2 GLU 12 34.759 21.226 18.597 763 2HB GLU 12 HB1 GLU 12 35.082 21.109 20.324 764 1HG GLU 12 HG2 GLU 12 36.426 19.120 19.982 765 2HG GLU 12 HG1 GLU 12 36.022 19.088 18.272 766 H ASN 13 HN ASN 13 31.838 20.854 18.378 767 HA ASN 13 HA ASN 13 30.862 22.356 20.623 768 1HB ASN 13 HB2 ASN 13 30.730 23.202 18.319 769 2HB ASN 13 HB1 ASN 13 29.623 21.895 17.905 770 1HD2 ASN 13 HD21 ASN 13 28.486 24.290 17.489 771 2HD2 ASN 13 HD22 ASN 13 27.433 24.730 18.745 772 H LEU 14 HN LEU 14 29.946 19.386 18.980 773 HA LEU 14 HA LEU 14 27.416 19.062 20.261 774 1HB LEU 14 HB2 LEU 14 29.165 16.877 19.097 775 2HB LEU 14 HB1 LEU 14 27.416 16.861 19.314 776 HG LEU 14 HG LEU 14 28.917 18.774 17.497 777 1HD1 LEU 14 HD11 LEU 14 27.132 16.473 16.700 778 2HD1 LEU 14 HD12 LEU 14 28.893 16.348 16.772 779 3HD1 LEU 14 HD13 LEU 14 28.126 17.487 15.666 780 1HD2 LEU 14 HD21 LEU 14 26.480 19.071 16.636 781 2HD2 LEU 14 HD22 LEU 14 26.936 19.897 18.108 782 3HD2 LEU 14 HD23 LEU 14 25.987 18.412 18.189 783 H LYS 15 HN LYS 15 30.697 17.980 20.953 784 HA LYS 15 HA LYS 15 30.153 16.165 22.989 785 1HB LYS 15 HB2 LYS 15 32.485 18.030 22.627 786 2HB LYS 15 HB1 LYS 15 32.415 16.730 23.818 787 1HG LYS 15 HG2 LYS 15 32.086 15.072 22.035 788 2HG LYS 15 HG1 LYS 15 32.081 16.354 20.828 789 1HD LYS 15 HD2 LYS 15 34.308 15.472 20.781 790 2HD LYS 15 HD1 LYS 15 34.429 16.985 21.671 791 1HE LYS 15 HE2 LYS 15 34.530 15.841 23.783 792 2HE LYS 15 HE1 LYS 15 34.071 14.304 23.051 793 1HZ LYS 15 HZ1 LYS 15 36.577 15.140 23.515 794 2HZ LYS 15 HZ2 LYS 15 36.379 15.527 21.871 795 3HZ LYS 15 HZ3 LYS 15 36.138 13.932 22.410 796 H GLN 16 HN GLN 16 30.496 19.690 23.070 797 HA GLN 16 HA GLN 16 30.346 19.980 25.892 798 1HB GLN 16 HB2 GLN 16 31.212 21.739 24.414 799 2HB GLN 16 HB1 GLN 16 29.600 21.947 23.732 800 1HG GLN 16 HG2 GLN 16 28.716 22.651 25.886 801 2HG GLN 16 HG1 GLN 16 30.237 22.252 26.670 802 1HE2 GLN 16 HE21 GLN 16 29.103 24.889 26.794 803 2HE2 GLN 16 HE22 GLN 16 30.133 25.937 25.946 804 H HIS 17 HN HIS 17 27.928 19.810 23.347 805 HA HIS 17 HA HIS 17 25.732 20.630 24.942 806 1HB HIS 17 HB2 HIS 17 25.815 18.857 22.496 807 2HB HIS 17 HB1 HIS 17 24.354 19.557 23.186 808 HD1 HIS 17 HD1 HIS 17 26.066 22.291 23.897 809 HD2 HIS 17 HD2 HIS 17 25.458 20.534 20.165 810 HE1 HIS 17 HE1 HIS 17 26.398 24.123 22.180 811 HE2 HIS 17 HE2 HIS 17 26.031 23.067 19.900 812 H ILE 18 HN ILE 18 26.946 17.391 24.066 813 HA ILE 18 HA ILE 18 25.015 16.045 25.731 814 HB ILE 18 HB ILE 18 26.292 14.034 25.209 815 1HG1 ILE 18 HG12 ILE 18 28.221 16.003 23.992 816 2HG1 ILE 18 HG11 ILE 18 28.570 14.952 25.353 817 1HG2 ILE 18 HG21 ILE 18 26.133 15.806 22.739 818 2HG2 ILE 18 HG22 ILE 18 24.706 15.156 23.533 819 3HG2 ILE 18 HG23 ILE 18 25.886 14.064 22.832 820 1HD1 ILE 18 HD11 ILE 18 28.130 14.159 22.473 821 2HD1 ILE 18 HD12 ILE 18 28.032 12.989 23.790 822 3HD1 ILE 18 HD13 ILE 18 29.540 13.852 23.487 823 H GLU 19 HN GLU 19 28.305 17.188 26.097 824 HA GLU 19 HA GLU 19 28.797 15.777 28.553 825 1HB GLU 19 HB2 GLU 19 30.627 16.527 27.056 826 2HB GLU 19 HB1 GLU 19 30.208 18.201 27.408 827 1HG GLU 19 HG2 GLU 19 30.835 16.294 29.681 828 2HG GLU 19 HG1 GLU 19 32.146 17.039 28.777 829 H MET 20 HN MET 20 28.308 19.253 27.834 830 HA MET 20 HA MET 20 27.758 19.805 30.653 831 1HB MET 20 HB2 MET 20 27.719 21.658 28.265 832 2HB MET 20 HB1 MET 20 27.627 22.133 29.954 833 1HG MET 20 HG2 MET 20 29.853 20.954 30.303 834 2HG MET 20 HG1 MET 20 29.946 20.798 28.548 835 1HE MET 20 HE1 MET 20 32.305 22.255 29.949 836 2HE MET 20 HE2 MET 20 32.469 23.552 28.768 837 3HE MET 20 HE3 MET 20 32.018 21.934 28.231 838 H ASN 21 HN ASN 21 26.055 20.344 27.562 839 HA ASN 21 HA ASN 21 23.804 20.203 27.043 840 1HB ASN 21 HB2 ASN 21 23.225 19.219 29.850 841 2HB ASN 21 HB1 ASN 21 22.353 18.876 28.372 842 1HD2 ASN 21 HD21 ASN 21 25.263 18.045 30.227 843 2HD2 ASN 21 HD22 ASN 21 25.647 16.660 29.324 844 H GLN 22 HN GLN 22 24.876 22.581 27.745 845 HA GLN 22 HA GLN 22 23.903 24.079 29.744 846 1HB GLN 22 HB2 GLN 22 25.274 24.939 27.858 847 2HB GLN 22 HB1 GLN 22 23.824 24.957 26.856 848 1HG GLN 22 HG2 GLN 22 22.746 26.564 28.346 849 2HG GLN 22 HG1 GLN 22 24.099 26.471 29.472 850 1HE2 GLN 22 HE21 GLN 22 25.459 28.238 29.259 851 2HE2 GLN 22 HE22 GLN 22 25.787 29.048 27.804 852 H SER 23 HN SER 23 22.128 23.844 26.661 853 HA SER 23 HA SER 23 19.559 23.737 28.128 854 1HB SER 23 HB2 SER 23 19.730 26.071 27.663 855 2HB SER 23 HB1 SER 23 20.339 25.773 26.036 856 HG SER 23 HG SER 23 18.079 26.291 26.121 857 H GLU 24 HN GLU 24 21.537 22.339 25.974 858 HA GLU 24 HA GLU 24 19.528 21.642 23.969 859 1HB GLU 24 HB2 GLU 24 22.107 22.005 23.585 860 2HB GLU 24 HB1 GLU 24 22.280 20.361 24.181 861 1HG GLU 24 HG2 GLU 24 22.058 20.150 21.786 862 2HG GLU 24 HG1 GLU 24 20.489 19.690 22.451 863 H ASP 25 HN ASP 25 21.170 18.937 24.042 864 HA ASP 25 HA ASP 25 19.952 17.562 26.303 865 1HB ASP 25 HB2 ASP 25 19.110 16.917 23.464 866 2HB ASP 25 HB1 ASP 25 18.647 16.026 24.911 867 H LYS 26 HN LYS 26 20.070 14.995 25.105 868 HA LYS 26 HA LYS 26 22.997 14.631 25.066 869 1HB LYS 26 HB2 LYS 26 21.559 13.359 26.640 870 2HB LYS 26 HB1 LYS 26 20.821 12.531 25.280 871 1HG LYS 26 HG2 LYS 26 23.125 11.794 24.562 872 2HG LYS 26 HG1 LYS 26 23.772 12.524 26.027 873 1HD LYS 26 HD2 LYS 26 21.610 10.382 26.012 874 2HD LYS 26 HD1 LYS 26 23.327 10.030 26.197 875 1HE LYS 26 HE2 LYS 26 23.264 11.725 28.182 876 2HE LYS 26 HE1 LYS 26 21.512 11.538 28.094 877 1HZ LYS 26 HZ1 LYS 26 22.376 9.996 29.637 878 2HZ LYS 26 HZ2 LYS 26 23.511 9.407 28.519 879 3HZ LYS 26 HZ3 LYS 26 21.850 9.132 28.277 880 H ILE 27 HN ILE 27 21.058 12.172 23.655 881 HA ILE 27 HA ILE 27 22.516 12.153 21.245 882 HB ILE 27 HB ILE 27 19.803 10.923 21.793 883 1HG1 ILE 27 HG12 ILE 27 21.477 10.291 23.513 884 2HG1 ILE 27 HG11 ILE 27 21.084 8.921 22.482 885 1HG2 ILE 27 HG21 ILE 27 20.335 10.850 19.434 886 2HG2 ILE 27 HG22 ILE 27 20.653 9.244 20.091 887 3HG2 ILE 27 HG23 ILE 27 21.990 10.348 19.775 888 1HD1 ILE 27 HD11 ILE 27 23.216 9.790 21.095 889 2HD1 ILE 27 HD12 ILE 27 23.365 8.775 22.508 890 3HD1 ILE 27 HD13 ILE 27 23.612 10.503 22.654 891 H HIS 28 HN HIS 28 19.417 13.563 22.140 892 HA HIS 28 HA HIS 28 18.662 14.271 19.482 893 1HB HIS 28 HB2 HIS 28 17.799 15.413 22.149 894 2HB HIS 28 HB1 HIS 28 17.015 15.734 20.603 895 HD1 HIS 28 HD1 HIS 28 17.593 12.994 23.121 896 HD2 HIS 28 HD2 HIS 28 15.429 13.605 19.610 897 HE1 HIS 28 HE1 HIS 28 16.020 11.021 22.895 898 HE2 HIS 28 HE2 HIS 28 14.694 11.380 20.760 899 H ALA 29 HN ALA 29 21.269 15.261 21.170 900 HA ALA 29 HA ALA 29 21.186 18.101 20.852 901 1HB ALA 29 HB1 ALA 29 23.551 18.036 21.391 902 2HB ALA 29 HB2 ALA 29 23.592 16.297 21.114 903 3HB ALA 29 HB3 ALA 29 22.668 16.955 22.465 904 H MET 30 HN MET 30 22.815 15.519 19.032 905 HA MET 30 HA MET 30 23.903 17.188 17.039 906 1HB MET 30 HB2 MET 30 24.208 15.134 15.754 907 2HB MET 30 HB1 MET 30 24.593 14.827 17.445 908 1HG MET 30 HG2 MET 30 23.206 12.983 17.015 909 2HG MET 30 HG1 MET 30 22.016 14.147 17.562 910 1HE MET 30 HE1 MET 30 21.032 11.617 15.583 911 2HE MET 30 HE2 MET 30 19.772 12.711 15.029 912 3HE MET 30 HE3 MET 30 20.319 12.787 16.698 913 H ASN 31 HN ASN 31 20.808 15.435 17.248 914 HA ASN 31 HA ASN 31 19.849 15.810 14.678 915 1HB ASN 31 HB2 ASN 31 18.640 14.537 16.408 916 2HB ASN 31 HB1 ASN 31 18.282 16.036 17.260 917 1HD2 ASN 31 HD21 ASN 31 16.150 16.632 16.876 918 2HD2 ASN 31 HD22 ASN 31 15.352 16.483 15.386 919 H SER 32 HN SER 32 19.428 18.045 17.443 920 HA SER 32 HA SER 32 18.144 20.082 15.958 921 1HB SER 32 HB2 SER 32 18.780 21.535 17.860 922 2HB SER 32 HB1 SER 32 18.065 20.013 18.390 923 HG SER 32 HG SER 32 20.137 19.232 18.791 924 H TYR 33 HN TYR 33 21.549 19.745 16.979 925 HA TYR 33 HA TYR 33 22.472 22.054 15.632 926 1HB TYR 33 HB2 TYR 33 23.747 21.032 17.435 927 2HB TYR 33 HB1 TYR 33 23.974 19.563 16.483 928 HD1 TYR 33 HD2 TYR 33 25.326 19.618 14.398 929 HD2 TYR 33 HD1 TYR 33 25.076 23.017 17.010 930 HE1 TYR 33 HE2 TYR 33 27.312 20.619 13.298 931 HE2 TYR 33 HE1 TYR 33 27.070 24.011 15.915 932 HH TYR 33 HH TYR 33 28.841 23.539 14.537 933 H TYR 34 HN TYR 34 21.637 18.905 14.537 934 HA TYR 34 HA TYR 34 23.306 18.848 12.206 935 1HB TYR 34 HB2 TYR 34 22.302 16.804 13.264 936 2HB TYR 34 HB1 TYR 34 20.729 17.325 12.678 937 HD1 TYR 34 HD1 TYR 34 24.070 16.063 11.772 938 HD2 TYR 34 HD2 TYR 34 20.206 17.233 10.296 939 HE1 TYR 34 HE1 TYR 34 24.587 15.026 9.576 940 HE2 TYR 34 HE2 TYR 34 20.721 16.191 8.108 941 HH TYR 34 HH TYR 34 23.380 15.640 6.931 942 H ARG 35 HN ARG 35 19.824 19.439 12.694 943 HA ARG 35 HA ARG 35 19.397 20.294 10.012 944 1HB ARG 35 HB2 ARG 35 17.680 20.570 12.463 945 2HB ARG 35 HB1 ARG 35 17.165 20.960 10.822 946 1HG ARG 35 HG2 ARG 35 18.323 18.210 11.394 947 2HG ARG 35 HG1 ARG 35 16.644 18.543 11.800 948 1HD ARG 35 HD2 ARG 35 17.863 18.911 9.039 949 2HD ARG 35 HD1 ARG 35 16.847 17.569 9.538 950 HE ARG 35 HE ARG 35 15.447 19.925 10.103 951 1HH1 ARG 35 HH21 ARG 35 16.755 18.204 7.402 952 2HH1 ARG 35 HH22 ARG 35 15.557 18.767 6.285 953 1HH2 ARG 35 HH11 ARG 35 13.866 20.662 8.646 954 2HH2 ARG 35 HH12 ARG 35 13.920 20.159 6.989 955 H SER 36 HN SER 36 20.605 21.788 12.804 956 HA SER 36 HA SER 36 19.744 24.453 12.296 957 1HB SER 36 HB2 SER 36 20.578 23.673 14.494 958 2HB SER 36 HB1 SER 36 22.182 23.495 13.793 959 HG SER 36 HG SER 36 22.442 25.553 14.022 960 H VAL 37 HN VAL 37 22.833 22.783 11.695 961 HA VAL 37 HA VAL 37 23.897 25.005 10.184 962 HB VAL 37 HB VAL 37 25.827 23.612 9.844 963 1HG1 VAL 37 HG11 VAL 37 26.367 23.029 12.147 964 2HG1 VAL 37 HG12 VAL 37 24.661 23.052 12.581 965 3HG1 VAL 37 HG13 VAL 37 25.471 24.544 12.111 966 1HG2 VAL 37 HG21 VAL 37 23.968 21.359 10.651 967 2HG2 VAL 37 HG22 VAL 37 25.723 21.180 10.719 968 3HG2 VAL 37 HG23 VAL 37 24.925 21.516 9.180 969 H VAL 38 HN VAL 38 22.620 21.779 9.419 970 HA VAL 38 HA VAL 38 23.100 21.750 6.679 971 HB VAL 38 HB VAL 38 20.747 20.659 8.211 972 1HG1 VAL 38 HG11 VAL 38 20.593 19.049 6.222 973 2HG1 VAL 38 HG12 VAL 38 21.629 20.185 5.361 974 3HG1 VAL 38 HG13 VAL 38 20.039 20.698 5.924 975 1HG2 VAL 38 HG21 VAL 38 23.295 19.891 8.609 976 2HG2 VAL 38 HG22 VAL 38 23.005 18.963 7.154 977 3HG2 VAL 38 HG23 VAL 38 22.000 18.709 8.558 978 H SER 39 HN SER 39 20.214 22.997 8.381 979 HA SER 39 HA SER 39 18.900 23.904 6.054 980 1HB SER 39 HB2 SER 39 17.769 23.579 8.216 981 2HB SER 39 HB1 SER 39 18.683 24.927 8.889 982 HG SER 39 HG SER 39 17.126 26.097 8.114 983 H THR 40 HN THR 40 21.464 25.219 7.984 984 HA THR 40 HA THR 40 21.213 27.910 6.915 985 HB THR 40 HB THR 40 23.472 26.690 8.517 986 HG1 THR 40 HG1 THR 40 21.764 28.401 9.761 987 1HG2 THR 40 HG21 THR 40 23.864 29.098 9.100 988 2HG2 THR 40 HG22 THR 40 22.651 29.541 7.898 989 3HG2 THR 40 HG23 THR 40 24.137 28.732 7.396 990 H LEU 41 HN LEU 41 23.547 25.229 6.634 991 HA LEU 41 HA LEU 41 25.187 26.489 4.708 992 1HB LEU 41 HB2 LEU 41 24.705 23.559 5.290 993 2HB LEU 41 HB1 LEU 41 25.992 24.157 4.245 994 HG LEU 41 HG LEU 41 25.636 24.949 7.154 995 1HD1 LEU 41 HD11 LEU 41 27.643 23.508 7.530 996 2HD1 LEU 41 HD12 LEU 41 27.504 22.939 5.865 997 3HD1 LEU 41 HD13 LEU 41 26.221 22.592 7.027 998 1HD2 LEU 41 HD21 LEU 41 26.901 26.693 6.273 999 2HD2 LEU 41 HD22 LEU 41 27.611 25.710 5.003 1000 3HD2 LEU 41 HD23 LEU 41 28.197 25.575 6.658 1001 H VAL 42 HN VAL 42 22.420 24.322 4.387 1002 HA VAL 42 HA VAL 42 22.569 24.140 1.549 1003 HB VAL 42 HB VAL 42 20.280 23.682 3.484 1004 1HG1 VAL 42 HG11 VAL 42 19.332 22.354 1.488 1005 2HG1 VAL 42 HG12 VAL 42 20.497 23.224 0.490 1006 3HG1 VAL 42 HG13 VAL 42 19.246 24.112 1.359 1007 1HG2 VAL 42 HG21 VAL 42 22.310 22.203 3.625 1008 2HG2 VAL 42 HG22 VAL 42 22.029 21.726 1.955 1009 3HG2 VAL 42 HG23 VAL 42 20.837 21.338 3.199 1010 H GLN 43 HN GLN 43 21.535 26.598 3.683 1011 HA GLN 43 HA GLN 43 19.994 27.936 1.531 1012 1HB GLN 43 HB2 GLN 43 18.883 27.520 3.788 1013 2HB GLN 43 HB1 GLN 43 20.026 28.678 4.468 1014 1HG GLN 43 HG2 GLN 43 17.986 29.871 3.930 1015 2HG GLN 43 HG1 GLN 43 19.207 30.360 2.769 1016 1HE2 GLN 43 HE21 GLN 43 17.926 30.744 0.907 1017 2HE2 GLN 43 HE22 GLN 43 16.938 29.564 0.193 1018 H ASP 44 HN ASP 44 22.884 28.039 3.353 1019 HA ASP 44 HA ASP 44 23.378 30.874 2.809 1020 1HB ASP 44 HB2 ASP 44 24.054 29.817 4.968 1021 2HB ASP 44 HB1 ASP 44 25.198 28.813 4.068 1022 H GLN 45 HN GLN 45 24.152 27.733 1.560 1023 HA GLN 45 HA GLN 45 26.010 28.949 -0.412 1024 1HB GLN 45 HB2 GLN 45 27.050 27.268 1.141 1025 2HB GLN 45 HB1 GLN 45 25.936 26.060 0.500 1026 1HG GLN 45 HG2 GLN 45 26.856 26.279 -1.720 1027 2HG GLN 45 HG1 GLN 45 27.814 27.678 -1.255 1028 1HE2 GLN 45 HE21 GLN 45 29.944 26.958 -1.345 1029 2HE2 GLN 45 HE22 GLN 45 30.510 25.542 -0.599 1030 H LEU 46 HN LEU 46 26.007 27.975 -2.523 1031 HA LEU 46 HA LEU 46 23.923 26.252 -3.366 1032 1HB LEU 46 HB2 LEU 46 22.993 28.831 -2.965 1033 2HB LEU 46 HB1 LEU 46 23.448 28.922 -4.662 1034 HG LEU 46 HG LEU 46 21.644 26.776 -3.488 1035 1HD1 LEU 46 HD11 LEU 46 19.856 27.995 -4.690 1036 2HD1 LEU 46 HD12 LEU 46 21.005 29.289 -5.036 1037 3HD1 LEU 46 HD13 LEU 46 20.554 28.929 -3.369 1038 1HD2 LEU 46 HD21 LEU 46 22.416 27.529 -6.329 1039 2HD2 LEU 46 HD22 LEU 46 21.156 26.370 -5.913 1040 3HD2 LEU 46 HD23 LEU 46 22.832 26.034 -5.491 1041 H THR 47 HN THR 47 26.787 26.599 -3.650 1042 HA THR 47 HA THR 47 27.401 27.510 -6.269 1043 HB THR 47 HB THR 47 28.859 25.606 -4.445 1044 HG1 THR 47 HG1 THR 47 30.160 27.580 -4.248 1045 1HG2 THR 47 HG21 THR 47 29.645 25.208 -6.676 1046 2HG2 THR 47 HG22 THR 47 30.832 26.239 -5.887 1047 3HG2 THR 47 HG23 THR 47 29.688 26.934 -7.035 1048 H LYS 48 HN LYS 48 26.595 24.351 -4.936 1049 HA LYS 48 HA LYS 48 25.519 23.396 -7.380 1050 1HB LYS 48 HB2 LYS 48 27.986 23.337 -7.953 1051 2HB LYS 48 HB1 LYS 48 28.190 22.191 -6.644 1052 1HG LYS 48 HG2 LYS 48 26.700 20.625 -7.700 1053 2HG LYS 48 HG1 LYS 48 26.309 21.777 -8.961 1054 1HD LYS 48 HD2 LYS 48 28.658 21.758 -9.698 1055 2HD LYS 48 HD1 LYS 48 29.047 20.590 -8.434 1056 1HE LYS 48 HE2 LYS 48 27.447 18.990 -9.420 1057 2HE LYS 48 HE1 LYS 48 27.063 20.156 -10.687 1058 1HZ LYS 48 HZ1 LYS 48 29.835 19.917 -10.595 1059 2HZ LYS 48 HZ2 LYS 48 28.789 19.399 -11.830 1060 3HZ LYS 48 HZ3 LYS 48 29.214 18.339 -10.572 1061 H ASN 49 HN ASN 49 24.381 21.515 -7.084 1062 HA ASN 49 HA ASN 49 23.566 20.779 -4.540 1063 1HB ASN 49 HB2 ASN 49 23.643 18.961 -6.947 1064 2HB ASN 49 HB1 ASN 49 22.588 18.811 -5.541 1065 1HD2 ASN 49 HD21 ASN 49 22.085 21.733 -5.337 1066 2HD2 ASN 49 HD22 ASN 49 21.071 22.124 -6.641 1067 H ALA 50 HN ALA 50 26.258 19.538 -6.445 1068 HA ALA 50 HA ALA 50 26.844 17.374 -4.637 1069 1HB ALA 50 HB1 ALA 50 27.501 17.351 -7.008 1070 2HB ALA 50 HB2 ALA 50 28.871 17.107 -5.925 1071 3HB ALA 50 HB3 ALA 50 28.619 18.677 -6.692 1072 H VAL 51 HN VAL 51 28.370 20.524 -5.302 1073 HA VAL 51 HA VAL 51 30.426 20.452 -3.444 1074 HB VAL 51 HB VAL 51 28.719 22.767 -4.380 1075 1HG1 VAL 51 HG11 VAL 51 29.594 23.566 -2.293 1076 2HG1 VAL 51 HG12 VAL 51 30.713 24.179 -3.506 1077 3HG1 VAL 51 HG13 VAL 51 31.142 22.762 -2.547 1078 1HG2 VAL 51 HG21 VAL 51 31.616 22.122 -5.025 1079 2HG2 VAL 51 HG22 VAL 51 30.531 23.207 -5.880 1080 3HG2 VAL 51 HG23 VAL 51 30.285 21.468 -5.979 1081 H VAL 52 HN VAL 52 27.050 21.412 -2.924 1082 HA VAL 52 HA VAL 52 27.463 22.013 -0.139 1083 HB VAL 52 HB VAL 52 25.010 22.227 -0.045 1084 1HG1 VAL 52 HG11 VAL 52 24.763 23.921 -1.888 1085 2HG1 VAL 52 HG12 VAL 52 26.294 23.361 -2.560 1086 3HG1 VAL 52 HG13 VAL 52 26.251 24.109 -0.964 1087 1HG2 VAL 52 HG21 VAL 52 23.749 21.814 -2.233 1088 2HG2 VAL 52 HG22 VAL 52 24.302 20.358 -1.402 1089 3HG2 VAL 52 HG23 VAL 52 25.189 20.984 -2.768 1090 H LEU 53 HN LEU 53 26.301 19.258 -1.992 1091 HA LEU 53 HA LEU 53 25.293 17.736 0.105 1092 1HB LEU 53 HB2 LEU 53 24.953 17.106 -2.249 1093 2HB LEU 53 HB1 LEU 53 26.669 16.774 -2.414 1094 HG LEU 53 HG LEU 53 26.460 14.986 -0.711 1095 1HD1 LEU 53 HD11 LEU 53 24.654 15.543 0.672 1096 2HD1 LEU 53 HD12 LEU 53 23.943 14.277 -0.308 1097 3HD1 LEU 53 HD13 LEU 53 23.595 15.968 -0.666 1098 1HD2 LEU 53 HD21 LEU 53 26.246 14.469 -3.108 1099 2HD2 LEU 53 HD22 LEU 53 24.500 14.708 -2.988 1100 3HD2 LEU 53 HD23 LEU 53 25.275 13.395 -2.100 1101 H LYS 54 HN LYS 54 28.574 18.159 -1.056 1102 HA LYS 54 HA LYS 54 29.825 16.056 0.300 1103 1HB LYS 54 HB2 LYS 54 30.784 18.817 -0.453 1104 2HB LYS 54 HB1 LYS 54 31.843 17.593 0.244 1105 1HG LYS 54 HG2 LYS 54 31.452 16.087 -1.607 1106 2HG LYS 54 HG1 LYS 54 30.200 17.127 -2.263 1107 1HD LYS 54 HD2 LYS 54 32.170 17.564 -3.564 1108 2HD LYS 54 HD1 LYS 54 31.973 18.949 -2.494 1109 1HE LYS 54 HE2 LYS 54 33.695 18.155 -1.018 1110 2HE LYS 54 HE1 LYS 54 33.752 16.586 -1.819 1111 1HZ LYS 54 HZ1 LYS 54 34.211 18.229 -3.849 1112 2HZ LYS 54 HZ2 LYS 54 35.434 17.531 -2.898 1113 3HZ LYS 54 HZ3 LYS 54 34.909 19.115 -2.585 1114 H ARG 55 HN ARG 55 29.015 19.330 1.391 1115 HA ARG 55 HA ARG 55 30.284 19.129 3.912 1116 1HB ARG 55 HB2 ARG 55 27.924 20.827 3.062 1117 2HB ARG 55 HB1 ARG 55 28.883 21.063 4.524 1118 1HG ARG 55 HG2 ARG 55 30.922 21.313 3.072 1119 2HG ARG 55 HG1 ARG 55 29.865 21.243 1.662 1120 1HD ARG 55 HD2 ARG 55 30.180 23.569 2.090 1121 2HD ARG 55 HD1 ARG 55 28.575 23.203 2.720 1122 HE ARG 55 HE ARG 55 30.358 22.828 4.831 1123 1HH1 ARG 55 HH21 ARG 55 29.330 25.350 2.696 1124 2HH1 ARG 55 HH22 ARG 55 29.595 26.619 3.844 1125 1HH2 ARG 55 HH11 ARG 55 30.713 24.490 6.341 1126 2HH2 ARG 55 HH12 ARG 55 30.379 26.132 5.907 1127 H ILE 56 HN ILE 56 27.000 18.420 2.803 1128 HA ILE 56 HA ILE 56 25.918 17.838 5.363 1129 HB ILE 56 HB ILE 56 25.013 16.663 2.717 1130 1HG1 ILE 56 HG12 ILE 56 25.227 19.027 2.376 1131 2HG1 ILE 56 HG11 ILE 56 23.526 18.701 2.589 1132 1HG2 ILE 56 HG21 ILE 56 23.903 15.753 4.701 1133 2HG2 ILE 56 HG22 ILE 56 22.789 16.780 3.796 1134 3HG2 ILE 56 HG23 ILE 56 23.555 17.387 5.265 1135 1HD1 ILE 56 HD11 ILE 56 25.466 19.997 4.500 1136 2HD1 ILE 56 HD12 ILE 56 23.974 19.284 5.088 1137 3HD1 ILE 56 HD13 ILE 56 23.920 20.594 3.935 1138 H GLN 57 HN GLN 57 27.164 15.703 2.806 1139 HA GLN 57 HA GLN 57 26.796 13.289 4.158 1140 1HB GLN 57 HB2 GLN 57 28.900 14.125 2.140 1141 2HB GLN 57 HB1 GLN 57 28.651 12.459 2.663 1142 1HG GLN 57 HG2 GLN 57 26.453 14.177 1.479 1143 2HG GLN 57 HG1 GLN 57 27.453 13.090 0.515 1144 1HE2 GLN 57 HE21 GLN 57 24.487 13.217 1.961 1145 2HE2 GLN 57 HE22 GLN 57 24.280 11.577 2.324 1146 H HIS 58 HN HIS 58 29.463 15.609 4.267 1147 HA HIS 58 HA HIS 58 31.193 14.031 5.860 1148 1HB HIS 58 HB2 HIS 58 30.986 17.036 5.531 1149 2HB HIS 58 HB1 HIS 58 32.310 16.210 6.355 1150 HD1 HIS 58 HD1 HIS 58 33.331 17.687 4.057 1151 HD2 HIS 58 HD2 HIS 58 31.616 13.925 3.521 1152 HE1 HIS 58 HE1 HIS 58 34.198 16.812 1.844 1153 HE2 HIS 58 HE2 HIS 58 33.163 14.518 1.506 1154 H LEU 59 HN LEU 59 28.786 16.509 6.657 1155 HA LEU 59 HA LEU 59 29.244 16.663 9.372 1156 1HB LEU 59 HB2 LEU 59 27.651 18.097 8.071 1157 2HB LEU 59 HB1 LEU 59 26.526 16.744 8.036 1158 HG LEU 59 HG LEU 59 26.516 16.726 10.549 1159 1HD1 LEU 59 HD11 LEU 59 28.493 17.699 11.311 1160 2HD1 LEU 59 HD12 LEU 59 27.379 19.036 11.525 1161 3HD1 LEU 59 HD13 LEU 59 28.456 19.006 10.128 1162 1HD2 LEU 59 HD21 LEU 59 25.208 18.806 10.798 1163 2HD2 LEU 59 HD22 LEU 59 24.750 17.890 9.364 1164 3HD2 LEU 59 HD23 LEU 59 25.767 19.319 9.213 1165 H ASP 60 HN ASP 60 27.722 14.147 7.531 1166 HA ASP 60 HA ASP 60 26.189 12.850 9.442 1167 1HB ASP 60 HB2 ASP 60 26.428 12.252 6.999 1168 2HB ASP 60 HB1 ASP 60 27.937 11.443 7.411 1169 H GLU 61 HN GLU 61 29.672 12.782 8.964 1170 HA GLU 61 HA GLU 61 30.291 10.654 10.697 1171 1HB GLU 61 HB2 GLU 61 32.542 11.366 10.509 1172 2HB GLU 61 HB1 GLU 61 31.802 11.962 9.021 1173 1HG GLU 61 HG2 GLU 61 31.393 14.177 10.349 1174 2HG GLU 61 HG1 GLU 61 32.535 13.538 11.516 1175 H ALA 62 HN ALA 62 29.545 14.025 11.292 1176 HA ALA 62 HA ALA 62 30.512 14.150 13.941 1177 1HB ALA 62 HB1 ALA 62 29.927 16.125 12.448 1178 2HB ALA 62 HB2 ALA 62 29.320 16.234 14.095 1179 3HB ALA 62 HB3 ALA 62 28.232 15.781 12.790 1180 H TYR 63 HN TYR 63 27.177 13.902 12.750 1181 HA TYR 63 HA TYR 63 25.942 13.481 15.180 1182 1HB TYR 63 HB2 TYR 63 24.176 13.494 13.728 1183 2HB TYR 63 HB1 TYR 63 25.257 13.191 12.371 1184 HD1 TYR 63 HD2 TYR 63 23.378 11.521 15.133 1185 HD2 TYR 63 HD1 TYR 63 25.349 11.028 11.351 1186 HE1 TYR 63 HE2 TYR 63 22.510 9.205 14.987 1187 HE2 TYR 63 HE1 TYR 63 24.489 8.710 11.204 1188 HH TYR 63 HH TYR 63 22.191 7.455 13.571 1189 H ASN 64 HN ASN 64 27.542 11.145 13.051 1190 HA ASN 64 HA ASN 64 26.789 8.811 14.466 1191 1HB ASN 64 HB2 ASN 64 27.575 8.758 12.135 1192 2HB ASN 64 HB1 ASN 64 29.177 9.277 12.663 1193 1HD2 ASN 64 HD21 ASN 64 30.262 7.298 12.068 1194 2HD2 ASN 64 HD22 ASN 64 29.966 5.833 12.871 1195 H LYS 65 HN LYS 65 29.528 10.992 14.673 1196 HA LYS 65 HA LYS 65 31.066 9.471 16.469 1197 1HB LYS 65 HB2 LYS 65 30.941 12.415 15.794 1198 2HB LYS 65 HB1 LYS 65 32.026 11.842 17.054 1199 1HG LYS 65 HG2 LYS 65 32.083 10.419 14.378 1200 2HG LYS 65 HG1 LYS 65 32.855 11.999 14.491 1201 1HD LYS 65 HD2 LYS 65 34.245 11.221 16.345 1202 2HD LYS 65 HD1 LYS 65 33.434 9.656 16.330 1203 1HE LYS 65 HE2 LYS 65 35.516 9.451 15.122 1204 2HE LYS 65 HE1 LYS 65 34.190 9.354 13.964 1205 1HZ LYS 65 HZ1 LYS 65 36.293 11.222 14.078 1206 2HZ LYS 65 HZ2 LYS 65 34.816 12.042 14.267 1207 3HZ LYS 65 HZ3 LYS 65 35.080 11.062 12.905 1208 H VAL 66 HN VAL 66 28.445 11.767 16.937 1209 HA VAL 66 HA VAL 66 28.748 12.039 19.717 1210 HB VAL 66 HB VAL 66 26.298 12.364 17.961 1211 1HG1 VAL 66 HG11 VAL 66 25.485 13.760 19.933 1212 2HG1 VAL 66 HG12 VAL 66 26.766 13.006 20.882 1213 3HG1 VAL 66 HG13 VAL 66 25.487 12.015 20.188 1214 1HG2 VAL 66 HG21 VAL 66 26.820 14.782 18.305 1215 2HG2 VAL 66 HG22 VAL 66 28.080 13.938 17.417 1216 3HG2 VAL 66 HG23 VAL 66 28.312 14.326 19.119 1217 H LYS 67 HN LYS 67 26.919 9.789 17.735 1218 HA LYS 67 HA LYS 67 25.586 8.505 19.861 1219 1HB LYS 67 HB2 LYS 67 26.316 7.388 17.171 1220 2HB LYS 67 HB1 LYS 67 25.070 6.820 18.271 1221 1HG LYS 67 HG2 LYS 67 24.890 9.754 17.594 1222 2HG LYS 67 HG1 LYS 67 24.585 8.662 16.287 1223 1HD LYS 67 HD2 LYS 67 23.228 8.385 18.978 1224 2HD LYS 67 HD1 LYS 67 22.545 9.368 17.679 1225 1HE LYS 67 HE2 LYS 67 22.789 7.148 16.227 1226 2HE LYS 67 HE1 LYS 67 22.831 6.353 17.800 1227 1HZ LYS 67 HZ1 LYS 67 20.636 6.396 17.449 1228 2HZ LYS 67 HZ2 LYS 67 20.680 7.803 16.500 1229 3HZ LYS 67 HZ3 LYS 67 20.789 7.912 18.193 1230 H ARG 68 HN ARG 68 28.529 7.753 18.070 1231 HA ARG 68 HA ARG 68 29.092 5.464 19.796 1232 1HB ARG 68 HB2 ARG 68 29.537 5.578 17.245 1233 2HB ARG 68 HB1 ARG 68 30.908 6.610 17.649 1234 1HG ARG 68 HG2 ARG 68 31.853 4.845 19.062 1235 2HG ARG 68 HG1 ARG 68 30.447 3.833 18.773 1236 1HD ARG 68 HD2 ARG 68 30.978 3.782 16.381 1237 2HD ARG 68 HD1 ARG 68 32.381 4.809 16.672 1238 HE ARG 68 HE ARG 68 33.519 2.962 17.540 1239 1HH1 ARG 68 HH21 ARG 68 30.134 2.324 17.212 1240 2HH1 ARG 68 HH22 ARG 68 30.280 0.630 17.543 1241 1HH2 ARG 68 HH11 ARG 68 33.719 0.741 17.973 1242 2HH2 ARG 68 HH12 ARG 68 32.310 -0.266 17.974 1243 H GLY 69 HN GLY 69 29.399 8.709 20.149 1244 1HA GLY 69 HA2 GLY 69 32.031 8.586 21.544 1245 2HA GLY 69 HA1 GLY 69 31.269 10.050 20.943 1246 H GLU 70 HN GLU 70 28.622 9.409 21.897 1247 HA GLU 70 HA GLU 70 28.801 10.503 24.503 1248 1HB GLU 70 HB2 GLU 70 26.356 10.109 24.585 1249 2HB GLU 70 HB1 GLU 70 26.861 10.916 23.102 1250 1HG GLU 70 HG2 GLU 70 25.610 9.282 22.085 1251 2HG GLU 70 HG1 GLU 70 27.042 8.322 22.273 1252 H SER 71 HN SER 71 27.717 7.291 23.394 1253 HA SER 71 HA SER 71 27.414 5.318 24.559 1254 1HB SER 71 HB2 SER 71 29.463 4.524 25.630 1255 2HB SER 71 HB1 SER 71 29.840 5.344 24.117 1256 HG SER 71 HG SER 71 30.729 6.951 25.197 1257 H LYS 72 HN LYS 72 28.229 4.463 27.058 1258 HA LYS 72 HA LYS 72 27.235 6.406 29.031 1259 1HB LYS 72 HB2 LYS 72 25.950 3.721 28.523 1260 2HB LYS 72 HB1 LYS 72 25.614 4.750 29.919 1261 1HG LYS 72 HG2 LYS 72 24.968 6.589 28.282 1262 2HG LYS 72 HG1 LYS 72 25.092 5.389 26.997 1263 1HD LYS 72 HD2 LYS 72 23.295 5.145 29.420 1264 2HD LYS 72 HD1 LYS 72 22.765 5.642 27.812 1265 1HE LYS 72 HE2 LYS 72 22.285 3.336 27.762 1266 2HE LYS 72 HE1 LYS 72 23.905 3.335 27.067 1267 1HZ LYS 72 HZ1 LYS 72 23.036 2.068 29.383 1268 2HZ LYS 72 HZ2 LYS 72 24.096 3.303 29.876 1269 3HZ LYS 72 HZ3 LYS 72 24.610 2.128 28.760 1270 H LEU 73 HN LEU 73 29.062 3.670 28.127 1271 HA LEU 73 HA LEU 73 29.653 2.836 30.845 1272 1HB LEU 73 HB2 LEU 73 29.554 1.205 29.028 1273 2HB LEU 73 HB1 LEU 73 30.869 2.033 28.197 1274 HG LEU 73 HG LEU 73 31.550 1.378 31.045 1275 1HD1 LEU 73 HD11 LEU 73 30.999 -0.865 29.090 1276 2HD1 LEU 73 HD12 LEU 73 30.191 -0.579 30.632 1277 3HD1 LEU 73 HD13 LEU 73 31.893 -1.041 30.602 1278 1HD2 LEU 73 HD21 LEU 73 33.149 2.173 29.276 1279 2HD2 LEU 73 HD22 LEU 73 32.908 0.647 28.431 1280 3HD2 LEU 73 HD23 LEU 73 33.639 0.657 30.035 1281 H GLU 74 HN GLU 74 31.222 3.641 32.068 1282 HA GLU 74 HA GLU 74 33.364 5.301 30.814 1283 1HB GLU 74 HB2 GLU 74 32.103 5.589 33.552 1284 2HB GLU 74 HB1 GLU 74 33.406 6.579 32.894 1285 1HG GLU 74 HG2 GLU 74 31.917 7.278 31.035 1286 2HG GLU 74 HG1 GLU 74 30.616 6.329 31.747 1287 H HIS 75 HN HIS 75 33.774 4.975 34.093 1288 HA HIS 75 HA HIS 75 35.211 2.437 34.072 1289 1HB HIS 75 HB2 HIS 75 36.832 4.003 33.019 1290 2HB HIS 75 HB1 HIS 75 36.722 5.047 34.435 1291 HD1 HIS 75 HD1 HIS 75 37.281 1.301 33.897 1292 HD2 HIS 75 HD2 HIS 75 38.778 4.453 36.178 1293 HE1 HIS 75 HE1 HIS 75 39.134 0.333 35.329 1294 HE2 HIS 75 HE2 HIS 75 40.057 2.243 36.725 1295 H HIS 76 HN HIS 76 36.568 4.696 36.175 1296 HA HIS 76 HA HIS 76 35.229 3.473 38.469 1297 1HB HIS 76 HB2 HIS 76 37.509 5.454 38.206 1298 2HB HIS 76 HB1 HIS 76 36.876 4.898 39.756 1299 HD1 HIS 76 HD1 HIS 76 36.359 1.936 38.339 1300 HD2 HIS 76 HD2 HIS 76 39.953 3.989 38.833 1301 HE1 HIS 76 HE1 HIS 76 38.195 0.194 38.255 1302 HE2 HIS 76 HE2 HIS 76 40.394 1.430 38.555 1303 H HIS 77 HN HIS 77 33.922 4.494 39.903 1304 HA HIS 77 HA HIS 77 32.254 6.558 38.992 1305 1HB HIS 77 HB2 HIS 77 32.788 5.601 41.817 1306 2HB HIS 77 HB1 HIS 77 31.449 6.648 41.342 1307 HD1 HIS 77 HD1 HIS 77 32.642 3.111 41.183 1308 HD2 HIS 77 HD2 HIS 77 29.427 5.354 39.763 1309 HE1 HIS 77 HE1 HIS 77 30.923 1.449 40.348 1310 HE2 HIS 77 HE2 HIS 77 28.956 2.801 39.479 1311 H HIS 78 HN HIS 78 34.184 6.884 41.951 1312 HA HIS 78 HA HIS 78 35.242 8.706 42.872 1313 1HB HIS 78 HB2 HIS 78 35.963 9.119 39.959 1314 2HB HIS 78 HB1 HIS 78 36.720 9.967 41.307 1315 HD1 HIS 78 HD1 HIS 78 36.798 7.481 43.259 1316 HD2 HIS 78 HD2 HIS 78 38.169 7.484 39.321 1317 HE1 HIS 78 HE1 HIS 78 38.485 5.599 43.085 1318 HE2 HIS 78 HE2 HIS 78 39.329 5.588 40.691 1319 H HIS 79 HN HIS 79 35.526 11.227 42.537 1320 HA HIS 79 HA HIS 79 32.930 12.347 42.662 1321 1HB HIS 79 HB2 HIS 79 34.896 13.296 43.832 1322 2HB HIS 79 HB1 HIS 79 35.579 13.761 42.274 1323 HD1 HIS 79 HD1 HIS 79 32.417 14.360 44.320 1324 HD2 HIS 79 HD2 HIS 79 34.703 16.235 41.380 1325 HE1 HIS 79 HE1 HIS 79 31.396 16.651 43.970 1326 HE2 HIS 79 HE2 HIS 79 32.777 17.806 42.181 1327 H HIS 80 HN HIS 80 35.454 12.470 40.159 1328 HA HIS 80 HA HIS 80 33.880 14.066 38.354 1329 1HB HIS 80 HB2 HIS 80 35.670 13.511 36.722 1330 2HB HIS 80 HB1 HIS 80 36.305 14.149 38.239 1331 HD1 HIS 80 HD1 HIS 80 35.486 10.704 36.793 1332 HD2 HIS 80 HD2 HIS 80 38.299 12.547 39.256 1333 HE1 HIS 80 HE1 HIS 80 37.172 8.919 37.414 1334 HE2 HIS 80 HE2 HIS 80 38.894 10.027 38.916