*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUN-07 2JR2 *TITLE NMR SOLUTION STRUCTURE OF COLWELLIA PSYCHRERYTHRAEA PROTEIN *TITLE 2 CPS_2611. NORTHEAST STRUCTURAL GENOMICS TARGET CSR4 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: UPF0352 PROTEIN CPS_2611; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: COLWELLIA PSYCHRERYTHRAEA 34H; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 STRAIN: 34H; *SOURCE 5 ATCC: BAA-681; *SOURCE 6 GENE: CPS_2611; *SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 8 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PMGK; *SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 *KEYWDS DIMER, ALL ALPHA HELIX, HOMODIMER, STRUCTURAL GENOMICS, PSI, *KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 3 CONSORTIUM, NESG *EXPDTA NMR, 20 STRUCTURES *AUTHOR T.A.RAMELOT, J.R.CORT, H.WANG, C.NWOSU, K.CUNNINGHAM, *AUTHOR 2 L.OWENS, L-C.MA, R.XIAO, J.LIU, M.C.BARAN, G.SWAPNA, *AUTHOR 3 T.B.ACTON, B.ROST, G.T.MONTELIONE, M.A.KENNEDY, NORTHEAST *AUTHOR 4 STRUCTURAL GENOMICS CONSORTIUM (NESG) *REVDAT 1 03-JUL-07 2JR2 0 remarks xplor hbond restraints assign (segid A and resid 13 and name HN )(segid A and resid 9 and name O ) 1.7 0.0 0.6 assign (segid A and resid 13 and name N )(segid A and resid 9 and name O ) 2.7 0.0 0.5 assign (segid A and resid 13 and name HN )(segid A and resid 9 and name C ) 2.9 0.0 0.5 assign (segid A and resid 14 and name HN )(segid A and resid 10 and name O ) 1.7 0.0 0.6 assign (segid A and resid 14 and name N )(segid A and resid 10 and name O ) 2.7 0.0 0.5 assign (segid A and resid 15 and name HN )(segid A and resid 11 and name O ) 1.7 0.0 0.6 assign (segid A and resid 15 and name N )(segid A and resid 11 and name O ) 2.7 0.0 0.5 assign (segid A and resid 16 and name HN )(segid A and resid 12 and name O ) 1.7 0.0 0.6 assign (segid A and resid 16 and name N )(segid A and resid 12 and name O ) 2.7 0.0 0.5 assign (segid A and resid 17 and name HN )(segid A and resid 13 and name O ) 1.7 0.0 0.6 assign (segid A and resid 17 and name N )(segid A and resid 13 and name O ) 2.7 0.0 0.5 assign (segid A and resid 18 and name HN )(segid A and resid 14 and name O ) 1.7 0.0 0.6 assign (segid A and resid 18 and name N )(segid A and resid 14 and name O ) 2.7 0.0 0.5 assign (segid A and resid 19 and name HN )(segid A and resid 15 and name O ) 1.7 0.0 0.6 assign (segid A and resid 19 and name N )(segid A and resid 15 and name O ) 2.7 0.0 0.5 assign (segid A and resid 20 and name HN )(segid A and resid 16 and name O ) 1.7 0.0 0.6 assign (segid A and resid 20 and name N )(segid A and resid 16 and name O ) 2.7 0.0 0.5 assign (segid A and resid 21 and name HN )(segid A and resid 17 and name O ) 1.7 0.0 0.6 assign (segid A and resid 21 and name N )(segid A and resid 17 and name O ) 2.7 0.0 0.5 assign (segid A and resid 22 and name HN )(segid A and resid 18 and name O ) 1.7 0.0 0.6 assign (segid A and resid 22 and name N )(segid A and resid 18 and name O ) 2.7 0.0 0.5 assign (segid A and resid 23 and name HN )(segid A and resid 19 and name O ) 1.7 0.0 0.6 assign (segid A and resid 23 and name N )(segid A and resid 19 and name O ) 2.7 0.0 0.5 assign (segid A and resid 24 and name HN )(segid A and resid 20 and name O ) 1.7 0.0 0.6 assign (segid A and resid 24 and name N )(segid A and resid 20 and name O ) 2.7 0.0 0.5 assign (segid A and resid 25 and name HN )(segid A and resid 21 and name O ) 1.7 0.0 0.6 assign (segid A and resid 25 and name N )(segid A and resid 21 and name O ) 2.7 0.0 0.5 assign (segid A and resid 35 and name HN )(segid A and resid 31 and name O ) 1.7 0.0 0.6 assign (segid A and resid 35 and name N )(segid A and resid 31 and name O ) 2.7 0.0 0.5 assign (segid A and resid 36 and name HN )(segid A and resid 32 and name O ) 1.7 0.0 0.6 assign (segid A and resid 36 and name N )(segid A and resid 32 and name O ) 2.7 0.0 0.5 assign (segid A and resid 37 and name HN )(segid A and resid 33 and name O ) 1.7 0.0 0.6 assign (segid A and resid 37 and name N )(segid A and resid 33 and name O ) 2.7 0.0 0.5 assign (segid A and resid 38 and name HN )(segid A and resid 34 and name O ) 1.7 0.0 0.6 assign (segid A and resid 38 and name N )(segid A and resid 34 and name O ) 2.7 0.0 0.5 assign (segid A and resid 40 and name HN )(segid A and resid 36 and name O ) 1.7 0.0 0.6 assign (segid A and resid 40 and name N )(segid A and resid 36 and name O ) 2.7 0.0 0.5 assign (segid A and resid 41 and name HN )(segid A and resid 37 and name O ) 1.7 0.0 0.6 assign (segid A and resid 41 and name N )(segid A and resid 37 and name O ) 2.7 0.0 0.5 assign (segid A and resid 58 and name HN )(segid A and resid 54 and name O ) 1.7 0.0 0.6 assign (segid A and resid 58 and name N )(segid A and resid 54 and name O ) 2.7 0.0 0.5 assign (segid A and resid 59 and name HN )(segid A and resid 55 and name O ) 1.7 0.0 0.6 assign (segid A and resid 59 and name N )(segid A and resid 55 and name O ) 2.7 0.0 0.5 assign (segid A and resid 60 and name HN )(segid A and resid 56 and name O ) 1.7 0.0 0.6 assign (segid A and resid 60 and name N )(segid A and resid 56 and name O ) 2.7 0.0 0.5 assign (segid A and resid 61 and name HN )(segid A and resid 57 and name O ) 1.7 0.0 0.6 assign (segid A and resid 61 and name N )(segid A and resid 57 and name O ) 2.7 0.0 0.5 assign (segid A and resid 62 and name HN )(segid A and resid 58 and name O ) 1.7 0.0 0.6 assign (segid A and resid 62 and name N )(segid A and resid 58 and name O ) 2.7 0.0 0.5 assign (segid A and resid 63 and name HN )(segid A and resid 59 and name O ) 1.7 0.0 0.6 assign (segid A and resid 63 and name N )(segid A and resid 59 and name O ) 2.7 0.0 0.5 assign (segid A and resid 64 and name HN )(segid A and resid 60 and name O ) 1.7 0.0 0.6 assign (segid A and resid 64 and name N )(segid A and resid 60 and name O ) 2.7 0.0 0.5 assign (segid A and resid 65 and name HN )(segid A and resid 61 and name O ) 1.7 0.0 0.6 assign (segid A and resid 65 and name N )(segid A and resid 61 and name O ) 2.7 0.0 0.5 assign (segid A and resid 66 and name HN )(segid A and resid 62 and name O ) 1.7 0.0 0.6 assign (segid A and resid 66 and name N )(segid A and resid 62 and name O ) 2.7 0.0 0.5 assign (segid A and resid 67 and name HN )(segid A and resid 63 and name O ) 1.7 0.0 0.6 assign (segid A and resid 67 and name N )(segid A and resid 63 and name O ) 2.7 0.0 0.5 assign (segid A and resid 68 and name HN )(segid A and resid 64 and name O ) 1.7 0.0 0.6 assign (segid A and resid 68 and name N )(segid A and resid 64 and name O ) 2.7 0.0 0.5 assign (segid A and resid 69 and name HN )(segid A and resid 65 and name O ) 1.7 0.0 0.6 assign (segid A and resid 69 and name N )(segid A and resid 65 and name O ) 2.7 0.0 0.5 remarks xplor hbond restraints assign (segid B and resid 13 and name HN )(segid B and resid 9 and name O ) 1.7 0.0 0.6 assign (segid B and resid 13 and name N )(segid B and resid 9 and name O ) 2.7 0.0 0.5 assign (segid B and resid 13 and name HN )(segid B and resid 9 and name C ) 2.9 0.0 0.5 assign (segid B and resid 14 and name HN )(segid 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B and resid 25 and name N )(segid B and resid 21 and name O ) 2.7 0.0 0.5 assign (segid B and resid 35 and name HN )(segid B and resid 31 and name O ) 1.7 0.0 0.6 assign (segid B and resid 35 and name N )(segid B and resid 31 and name O ) 2.7 0.0 0.5 assign (segid B and resid 36 and name HN )(segid B and resid 32 and name O ) 1.7 0.0 0.6 assign (segid B and resid 36 and name N )(segid B and resid 32 and name O ) 2.7 0.0 0.5 assign (segid B and resid 37 and name HN )(segid B and resid 33 and name O ) 1.7 0.0 0.6 assign (segid B and resid 37 and name N )(segid B and resid 33 and name O ) 2.7 0.0 0.5 assign (segid B and resid 38 and name HN )(segid B and resid 34 and name O ) 1.7 0.0 0.6 assign (segid B and resid 38 and name N )(segid B and resid 34 and name O ) 2.7 0.0 0.5 assign (segid B and resid 40 and name HN )(segid B and resid 36 and name O ) 1.7 0.0 0.6 assign (segid B and resid 40 and name N )(segid B and resid 36 and name O ) 2.7 0.0 0.5 assign (segid B and resid 41 and name HN 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name O ) 2.7 0.0 0.5 assign (segid B and resid 63 and name HN )(segid B and resid 59 and name O ) 1.7 0.0 0.6 assign (segid B and resid 63 and name N )(segid B and resid 59 and name O ) 2.7 0.0 0.5 assign (segid B and resid 64 and name HN )(segid B and resid 60 and name O ) 1.7 0.0 0.6 assign (segid B and resid 64 and name N )(segid B and resid 60 and name O ) 2.7 0.0 0.5 assign (segid B and resid 65 and name HN )(segid B and resid 61 and name O ) 1.7 0.0 0.6 assign (segid B and resid 65 and name N )(segid B and resid 61 and name O ) 2.7 0.0 0.5 assign (segid B and resid 66 and name HN )(segid B and resid 62 and name O ) 1.7 0.0 0.6 assign (segid B and resid 66 and name N )(segid B and resid 62 and name O ) 2.7 0.0 0.5 assign (segid B and resid 67 and name HN )(segid B and resid 63 and name O ) 1.7 0.0 0.6 assign (segid B and resid 67 and name N )(segid B and resid 63 and name O ) 2.7 0.0 0.5 assign (segid B and resid 68 and name HN )(segid B and resid 64 and name O ) 1.7 0.0 0.6 assign (segid B and resid 68 and name N )(segid B and resid 64 and name O ) 2.7 0.0 0.5 assign (segid B and resid 69 and name HN )(segid B and resid 65 and name O ) 1.7 0.0 0.6 assign (segid B and resid 69 and name N )(segid B and resid 65 and name O ) 2.7 0.0 0.5 assign (segid A and resid 8 and name C ) (segid A and resid 9 and name N ) (segid A and resid 9 and name CA ) (segid A and resid 9 and name C ) 1.0 -59.15 30 2 assign (segid A and resid 9 and name N ) (segid A and resid 9 and name CA ) (segid A and resid 9 and name C ) (segid A and resid 10 and name N ) 1.0 -36.38 40 2 assign (segid A and resid 9 and name C ) (segid A and resid 10 and name N ) (segid A and resid 10 and name CA ) (segid A and resid 10 and name C ) 1.0 -67.03 30 2 assign (segid A and resid 10 and name N ) (segid A and resid 10 and name CA ) (segid A and resid 10 and name C ) (segid A and resid 11 and name N ) 1.0 -39.21 40 2 assign (segid A and resid 10 and name C ) (segid A and resid 11 and name N ) (segid A and resid 11 and name CA ) (segid A and resid 11 and name C ) 1.0 -68.15 30 2 assign (segid A and resid 11 and name N ) (segid A and resid 11 and name CA ) (segid A and resid 11 and name C ) (segid A and resid 12 and name N ) 1.0 -40.01 40.0001 2 assign (segid A and resid 11 and name C ) (segid A and resid 12 and name N ) (segid A and resid 12 and name CA ) (segid A and resid 12 and name C ) 1.0 -62.58 30 2 assign (segid A and resid 12 and name N ) (segid A and resid 12 and name CA ) (segid A and resid 12 and name C ) (segid A and resid 13 and name N ) 1.0 -47.33 40 2 assign (segid A and resid 12 and name C ) (segid A and resid 13 and name N ) (segid A and resid 13 and name CA ) (segid A and resid 13 and name C ) 1.0 -60.92 30 2 assign (segid A and resid 13 and name N ) (segid A and resid 13 and name CA ) (segid A and resid 13 and name C ) (segid A and resid 14 and name N ) 1.0 -40.8299 40.0001 2 assign (segid A and resid 13 and name C ) (segid A and resid 14 and name N ) (segid A and resid 14 and name CA ) (segid A and resid 14 and name C ) 1.0 -65.67 30 2 assign (segid A and resid 14 and name N ) (segid A and resid 14 and name CA ) (segid A and resid 14 and name C ) (segid A and resid 15 and name N ) 1.0 -41.21 40 2 assign (segid A and resid 14 and name C ) (segid A and resid 15 and name N ) (segid A and resid 15 and name CA ) (segid A and resid 15 and name C ) 1.0 -64.52 30 2 assign (segid A and resid 15 and name N ) (segid A and resid 15 and name CA ) (segid A and resid 15 and name C ) (segid A and resid 16 and name N ) 1.0 -44.73 40 2 assign (segid A and resid 15 and name C ) (segid A and resid 16 and name N ) (segid A and resid 16 and name CA ) (segid A and resid 16 and name C ) 1.0 -64.36 30 2 assign (segid A and resid 16 and name N ) (segid A and resid 16 and name CA ) (segid A and resid 16 and name C ) (segid A and resid 17 and name N ) 1.0 -44.45 40 2 assign (segid A and resid 16 and name C ) (segid A and resid 17 and name N ) (segid A and resid 17 and name CA ) (segid A and resid 17 and name C ) 1.0 -61.14 30 2 assign (segid A and resid 17 and name N ) (segid A and resid 17 and name CA ) (segid A and resid 17 and name C ) (segid A and resid 18 and name N ) 1.0 -43.26 40 2 assign (segid A and resid 17 and name C ) (segid A and resid 18 and name N ) (segid A and resid 18 and name CA ) (segid A and resid 18 and name C ) 1.0 -62.6 30 2 assign (segid A and resid 18 and name N ) (segid A and resid 18 and name CA ) (segid A and resid 18 and name C ) (segid A and resid 19 and name N ) 1.0 -41.73 40 2 assign (segid A and resid 18 and name C ) (segid A and resid 19 and name N ) (segid A and resid 19 and name CA ) (segid A and resid 19 and name C ) 1.0 -61.68 30 2 assign (segid A and resid 19 and name N ) (segid A and resid 19 and name CA ) (segid A and resid 19 and name C ) (segid A and resid 20 and name N ) 1.0 -43.84 40 2 assign (segid A and resid 19 and name C ) (segid A and resid 20 and name N ) (segid A and resid 20 and name CA ) (segid A and resid 20 and name C ) 1.0 -64.5 30 2 assign (segid A and resid 20 and name N ) (segid A and resid 20 and name CA ) (segid A and resid 20 and name C ) (segid A and resid 21 and name N ) 1.0 -40.47 40 2 assign (segid A and resid 20 and name C ) (segid A and resid 21 and name N ) (segid A and resid 21 and name CA ) (segid A and resid 21 and name C ) 1.0 -67.5 30 2 assign (segid A and resid 21 and name N ) (segid A and resid 21 and name CA ) (segid A and resid 21 and name C ) (segid A and resid 22 and name N ) 1.0 -38.75 40 2 assign (segid A and resid 21 and name C ) (segid A and resid 22 and name N ) (segid A and resid 22 and name CA ) (segid A and resid 22 and name C ) 1.0 -64.02 30 2 assign (segid A and resid 22 and name N ) (segid A and resid 22 and name CA ) (segid A and resid 22 and name C ) (segid A and resid 23 and name N ) 1.0 -45.06 40 2 assign (segid A and resid 22 and name C ) (segid A and resid 23 and name N ) (segid A and resid 23 and name CA ) (segid A and resid 23 and name C ) 1.0 -60.28 30 2 assign (segid A and resid 23 and name N ) (segid A and resid 23 and name CA ) (segid A and resid 23 and name C ) (segid A and resid 24 and name N ) 1.0 -40.82 40 2 assign (segid A and resid 23 and name C ) (segid A and resid 24 and name N ) (segid A and resid 24 and name CA ) (segid A and resid 24 and name C ) 1.0 -64.07 30 2 assign (segid A and resid 24 and name N ) (segid A and resid 24 and name CA ) (segid A and resid 24 and name C ) (segid A and resid 25 and name N ) 1.0 -43.35 40 2 assign (segid A and resid 24 and name C ) (segid A and resid 25 and name N ) (segid A and resid 25 and name CA ) (segid A and resid 25 and name C ) 1.0 -66.66 30 2 assign (segid A and resid 25 and name N ) (segid A and resid 25 and name CA ) (segid A and resid 25 and name C ) (segid A and resid 26 and name N ) 1.0 -25.85 40 2 assign (segid A and resid 25 and name C ) (segid A and resid 26 and name N ) (segid A and resid 26 and name CA ) (segid A and resid 26 and name C ) 1.0 -93.99 30 2 assign (segid A and resid 26 and name N ) (segid A and resid 26 and name CA ) (segid A and resid 26 and name C ) (segid A and resid 27 and name N ) 1.0 7.47 40 2 assign (segid A and resid 30 and name N ) (segid A and resid 30 and name CA ) (segid A and resid 30 and name C ) (segid A and resid 31 and name N ) 1.0 -31.41 40 2 assign (segid A and resid 30 and name C ) (segid A and resid 31 and name N ) (segid A and resid 31 and name CA ) (segid A and resid 31 and name C ) 1.0 -62.1 30 2 assign (segid A and resid 31 and name N ) (segid A and resid 31 and name CA ) (segid A and resid 31 and name C ) (segid A and resid 32 and name N ) 1.0 -38.79 40 2 assign (segid A and resid 31 and name C ) (segid A and resid 32 and name N ) (segid A and resid 32 and name CA ) (segid A and resid 32 and name C ) 1.0 -65.56 30 2 assign (segid A and resid 32 and name N ) (segid A and resid 32 and name CA ) (segid A and resid 32 and name C ) (segid A and resid 33 and name N ) 1.0 -39.55 40 2 assign (segid A and resid 32 and name C ) (segid A and resid 33 and name N ) (segid A and resid 33 and name CA ) (segid A and resid 33 and name C ) 1.0 -62.95 30 2 assign (segid A and resid 33 and name N ) (segid A and resid 33 and name CA ) (segid A and resid 33 and name C ) (segid A and resid 34 and name N ) 1.0 -43.68 40 2 assign (segid A and resid 33 and name C ) (segid A and resid 34 and name N ) (segid A and resid 34 and name CA ) (segid A and resid 34 and name C ) 1.0 -62.99 30 2 assign (segid A and resid 34 and name N ) (segid A and resid 34 and name CA ) (segid A and resid 34 and name C ) (segid A and resid 35 and name N ) 1.0 -42.49 40 2 assign (segid A and resid 34 and name C ) (segid A and resid 35 and name N ) (segid A and resid 35 and name CA ) (segid A and resid 35 and name C ) 1.0 -66.88 30 2 assign (segid A and resid 35 and name N ) (segid A and resid 35 and name CA ) (segid A and resid 35 and name C ) (segid A and resid 36 and name N ) 1.0 -39.02 40 2 assign (segid A and resid 35 and name C ) (segid A and resid 36 and name N ) (segid A and resid 36 and name CA ) (segid A and resid 36 and name C ) 1.0 -64.28 30 2 assign (segid A and resid 36 and name N ) (segid A and resid 36 and name CA ) (segid A and resid 36 and name C ) (segid A and resid 37 and name N ) 1.0 -41.95 40 2 assign (segid A and resid 36 and name C ) (segid A and resid 37 and name N ) (segid A and resid 37 and name CA ) (segid A and resid 37 and name C ) 1.0 -63.69 30 2 assign (segid A and resid 37 and name N ) (segid A and resid 37 and name CA ) (segid A and resid 37 and name C ) (segid A and resid 38 and name N ) 1.0 -39.85 40 2 assign (segid A and resid 37 and name C ) (segid A and resid 38 and name N ) (segid A and resid 38 and name CA ) (segid A and resid 38 and name C ) 1.0 -65.18 30 2 assign (segid A and resid 38 and name N ) (segid A and resid 38 and name CA ) (segid A and resid 38 and name C ) (segid A and resid 39 and name N ) 1.0 -37.95 40 2 assign (segid A and resid 38 and name C ) (segid A and resid 39 and name N ) (segid A and resid 39 and name CA ) (segid A and resid 39 and name C ) 1.0 -65.39 30 2 assign (segid A and resid 39 and name N ) (segid A and resid 39 and name CA ) (segid A and resid 39 and name C ) (segid A and resid 40 and name N ) 1.0 -38.79 40 2 assign (segid A and resid 39 and name C ) (segid A and resid 40 and name N ) (segid A and resid 40 and name CA ) (segid A and resid 40 and name C ) 1.0 -65.7 30 2 assign (segid A and resid 40 and name N ) (segid A and resid 40 and name CA ) (segid A and resid 40 and name C ) (segid A and resid 41 and name N ) 1.0 -43.84 40 2 assign (segid A and resid 40 and name C ) (segid A and resid 41 and name N ) (segid A and resid 41 and name CA ) (segid A and resid 41 and name C ) 1.0 -62.67 30 2 assign (segid A and resid 41 and name N ) (segid A and resid 41 and name CA ) (segid A and resid 41 and name C ) (segid A and resid 42 and name N ) 1.0 -43.94 40 2 assign (segid A and resid 41 and name C ) (segid A and resid 42 and name N ) (segid A and resid 42 and name CA ) (segid A and resid 42 and name C ) 1.0 -64.39 30 2 assign (segid A and resid 42 and name N ) (segid A and resid 42 and name CA ) (segid A and resid 42 and name C ) (segid A and resid 43 and name N ) 1.0 -43.18 40 2 assign (segid A and resid 42 and name C ) (segid A and resid 43 and name N ) (segid A and resid 43 and name CA ) (segid A and resid 43 and name C ) 1.0 -62.9 30 2 assign (segid A and resid 43 and name N ) (segid A and resid 43 and name CA ) (segid A and resid 43 and name C ) (segid A and resid 44 and name N ) 1.0 -42.49 40 2 assign (segid A and resid 43 and name C ) (segid A and resid 44 and name N ) (segid A and resid 44 and name CA ) (segid A and resid 44 and name C ) 1.0 -70.4 30 2 assign (segid A and resid 44 and name N ) (segid A and resid 44 and name CA ) (segid A and resid 44 and name C ) (segid A and resid 45 and name N ) 1.0 -38.92 40 2 assign (segid A and resid 44 and name C ) (segid A and resid 45 and name N ) (segid A and resid 45 and name CA ) (segid A and resid 45 and name C ) 1.0 -61.22 30 2 assign (segid A and resid 45 and name N ) (segid A and resid 45 and name CA ) (segid A and resid 45 and name C ) (segid A and resid 46 and name N ) 1.0 -37.13 40 2 assign (segid A and resid 45 and name C ) (segid A and resid 46 and name N ) (segid A and resid 46 and name CA ) (segid A and resid 46 and name C ) 1.0 -62.29 30 2 assign (segid A and resid 46 and name N ) (segid A and resid 46 and name CA ) (segid A and resid 46 and name C ) (segid A and resid 47 and name N ) 1.0 -34.63 40 2 assign (segid A and resid 49 and name C ) (segid A and resid 50 and name N ) (segid A and resid 50 and name CA ) (segid A and resid 50 and name C ) 1.0 -55.89 30 2 assign (segid A and resid 50 and name N ) (segid A and resid 50 and name CA ) (segid A and resid 50 and name C ) (segid A and resid 51 and name N ) 1.0 -34.2 40 2 assign (segid A and resid 50 and name C ) (segid A and resid 51 and name N ) (segid A and resid 51 and name CA ) (segid A and resid 51 and name C ) 1.0 -68.5 30 2 assign (segid A and resid 52 and name C ) (segid A and resid 53 and name N ) (segid A and resid 53 and name CA ) (segid A and resid 53 and name C ) 1.0 -57.23 30 2 assign (segid A and resid 53 and name N ) (segid A and resid 53 and name CA ) (segid A and resid 53 and name C ) (segid A and resid 54 and name N ) 1.0 -39.26 40 2 assign (segid A and resid 53 and name C ) (segid A and resid 54 and name N ) (segid A and resid 54 and name CA ) (segid A and resid 54 and name C ) 1.0 -64.45 30 2 assign (segid A and resid 54 and name N ) (segid A and resid 54 and name CA ) (segid A and resid 54 and name C ) (segid A and resid 55 and name N ) 1.0 -42.55 40 2 assign (segid A and resid 54 and name C ) (segid A and resid 55 and name N ) (segid A and resid 55 and name CA ) (segid A and resid 55 and name C ) 1.0 -59.91 30 2 assign (segid A and resid 55 and name N ) (segid A and resid 55 and name CA ) (segid A and resid 55 and name C ) (segid A and resid 56 and name N ) 1.0 -39.16 40 2 assign (segid A and resid 55 and name C ) (segid A and resid 56 and name N ) (segid A and resid 56 and name CA ) (segid A and resid 56 and name C ) 1.0 -66.35 30 2 assign (segid A and resid 56 and name N ) (segid A and resid 56 and name CA ) (segid A and resid 56 and name C ) (segid A and resid 57 and name N ) 1.0 -44.45 40 2 assign (segid A and resid 56 and name C ) (segid A and resid 57 and name N ) (segid A and resid 57 and name CA ) (segid A and resid 57 and name C ) 1.0 -64.95 30 2 assign (segid A and resid 57 and name N ) (segid A and resid 57 and name CA ) (segid A and resid 57 and name C ) (segid A and resid 58 and name N ) 1.0 -39.66 40 2 assign (segid A and resid 57 and name C ) (segid A and resid 58 and name N ) (segid A and resid 58 and name CA ) (segid A and resid 58 and name C ) 1.0 -65.22 30 2 assign (segid A and resid 58 and name N ) (segid A and resid 58 and name CA ) (segid A and resid 58 and name C ) (segid A and resid 59 and name N ) 1.0 -36.85 40 2 assign (segid A and resid 58 and name C ) (segid A and resid 59 and name N ) (segid A and resid 59 and name CA ) (segid A and resid 59 and name C ) 1.0 -69.73 30 2 assign (segid A and resid 59 and name N ) (segid A and resid 59 and name CA ) (segid A and resid 59 and name C ) (segid A and resid 60 and name N ) 1.0 -38.7 40 2 assign (segid A and resid 59 and name C ) (segid A and resid 60 and name N ) (segid A and resid 60 and name CA ) (segid A and resid 60 and name C ) 1.0 -64.79 30 2 assign (segid A and resid 60 and name N ) (segid A and resid 60 and name CA ) (segid A and resid 60 and name C ) (segid A and resid 61 and name N ) 1.0 -47.31 40 2 assign (segid A and resid 60 and name C ) (segid A and resid 61 and name N ) (segid A and resid 61 and name CA ) (segid A and resid 61 and name C ) 1.0 -62.15 30 2 assign (segid A and resid 61 and name N ) (segid A and resid 61 and name CA ) (segid A and resid 61 and name C ) (segid A and resid 62 and name N ) 1.0 -41.57 40 2 assign (segid A and resid 61 and name C ) (segid A and resid 62 and name N ) (segid A and resid 62 and name CA ) (segid A and resid 62 and name C ) 1.0 -64.94 30 2 assign (segid A and resid 62 and name N ) (segid A and resid 62 and name CA ) (segid A and resid 62 and name C ) (segid A and resid 63 and name N ) 1.0 -43.15 40 2 assign (segid A and resid 62 and name C ) (segid A and resid 63 and name N ) (segid A and resid 63 and name CA ) (segid A and resid 63 and name C ) 1.0 -66.87 30 2 assign (segid A and resid 63 and name N ) (segid A and resid 63 and name CA ) (segid A and resid 63 and name C ) (segid A and resid 64 and name N ) 1.0 -37.84 40 2 assign (segid A and resid 63 and name C ) (segid A and resid 64 and name N ) (segid A and resid 64 and name CA ) (segid A and resid 64 and name C ) 1.0 -64.47 30 2 assign (segid A and resid 64 and name N ) (segid A and resid 64 and name CA ) (segid A and resid 64 and name C ) (segid A and resid 65 and name N ) 1.0 -42.35 40 2 assign (segid A and resid 64 and name C ) (segid A and resid 65 and name N ) (segid A and resid 65 and name CA ) (segid A and resid 65 and name C ) 1.0 -61.59 30 2 assign (segid A and resid 65 and name N ) (segid A and resid 65 and name CA ) (segid A and resid 65 and name C ) (segid A and resid 66 and name N ) 1.0 -40.74 40 2 assign (segid A and resid 65 and name C ) (segid A and resid 66 and name N ) (segid A and resid 66 and name CA ) (segid A and resid 66 and name C ) 1.0 -62.88 30 2 assign (segid A and resid 66 and name N ) (segid A and resid 66 and name CA ) (segid A and resid 66 and name C ) (segid A and resid 67 and name N ) 1.0 -38.93 40 2 assign (segid A and resid 66 and name C ) (segid A and resid 67 and name N ) (segid A and resid 67 and name CA ) (segid A and resid 67 and name C ) 1.0 -63.54 30 2 assign (segid A and resid 67 and name N ) (segid A and resid 67 and name CA ) (segid A and resid 67 and name C ) (segid A and resid 68 and name N ) 1.0 -38.52 40 2 assign (segid A and resid 67 and name C ) (segid A and resid 68 and name N ) (segid A and resid 68 and name CA ) (segid A and resid 68 and name C ) 1.0 -66.54 30 2 assign (segid A and resid 68 and name N ) (segid A and resid 68 and name CA ) (segid A and resid 68 and name C ) (segid A and resid 69 and name N ) 1.0 -41.33 40 2 assign (segid A and resid 68 and name C ) (segid A and resid 69 and name N ) (segid A and resid 69 and name CA ) (segid A and resid 69 and name C ) 1.0 -69.6 30 2 assign (segid A and resid 69 and name N ) (segid A and resid 69 and name CA ) (segid A and resid 69 and name C ) (segid A and resid 70 and name N ) 1.0 -29.95 40 2 assign (segid B and resid 8 and name C ) (segid B and resid 9 and name N ) (segid B and resid 9 and name CA ) (segid B and resid 9 and name C ) 1.0 -59.15 30 2 assign (segid B and resid 9 and name N ) (segid B and resid 9 and name CA ) (segid B and resid 9 and name C ) (segid B and resid 10 and name N ) 1.0 -36.38 40 2 assign (segid B and resid 9 and name C ) (segid B and resid 10 and name N ) (segid B and resid 10 and name CA ) (segid B and resid 10 and name C ) 1.0 -67.03 30 2 assign (segid B and resid 10 and name N ) (segid B and resid 10 and name CA ) (segid B and resid 10 and name C ) (segid B and resid 11 and name N ) 1.0 -39.21 40 2 assign (segid B and resid 10 and name C ) (segid B and resid 11 and name N ) (segid B and resid 11 and name CA ) (segid B and resid 11 and name C ) 1.0 -68.15 30 2 assign (segid B and resid 11 and name N ) (segid B and resid 11 and name CA ) (segid B and resid 11 and name C ) (segid B and resid 12 and name N ) 1.0 -40.01 40.0001 2 assign (segid B and resid 11 and name C ) (segid B and resid 12 and name N ) (segid B and resid 12 and name CA ) (segid B and resid 12 and name C ) 1.0 -62.58 30 2 assign (segid B and resid 12 and name N ) (segid B and resid 12 and name CA ) (segid B and resid 12 and name C ) (segid B and resid 13 and name N ) 1.0 -47.33 40 2 assign (segid B and resid 12 and name C ) (segid B and resid 13 and name N ) (segid B and resid 13 and name CA ) (segid B and resid 13 and name C ) 1.0 -60.92 30 2 assign (segid B and resid 13 and name N ) (segid B and resid 13 and name CA ) (segid B and resid 13 and name C ) (segid B and resid 14 and name N ) 1.0 -40.8299 40.0001 2 assign (segid B and resid 13 and name C ) (segid B and resid 14 and name N ) (segid B and resid 14 and name CA ) (segid B and resid 14 and name C ) 1.0 -65.67 30 2 assign (segid B and resid 14 and name N ) (segid B and resid 14 and name CA ) (segid B and resid 14 and name C ) (segid B and resid 15 and name N ) 1.0 -41.21 40 2 assign (segid B and resid 14 and name C ) (segid B and resid 15 and name N ) (segid B and resid 15 and name CA ) (segid B and resid 15 and name C ) 1.0 -64.52 30 2 assign (segid B and resid 15 and name N ) (segid B and resid 15 and name CA ) (segid B and resid 15 and name C ) (segid B and resid 16 and name N ) 1.0 -44.73 40 2 assign (segid B and resid 15 and name C ) (segid B and resid 16 and name N ) (segid B and resid 16 and name CA ) (segid B and resid 16 and name C ) 1.0 -64.36 30 2 assign (segid B and resid 16 and name N ) (segid B and resid 16 and name CA ) (segid B and resid 16 and name C ) (segid B and resid 17 and name N ) 1.0 -44.45 40 2 assign (segid B and resid 16 and name C ) (segid B and resid 17 and name N ) (segid B and resid 17 and name CA ) (segid B and resid 17 and name C ) 1.0 -61.14 30 2 assign (segid B and resid 17 and name N ) (segid B and resid 17 and name CA ) (segid B and resid 17 and name C ) (segid B and resid 18 and name N ) 1.0 -43.26 40 2 assign (segid B and resid 17 and name C ) (segid B and resid 18 and name N ) (segid B and resid 18 and name CA ) (segid B and resid 18 and name C ) 1.0 -62.6 30 2 assign (segid B and resid 18 and name N ) (segid B and resid 18 and name CA ) (segid B and resid 18 and name C ) (segid B and resid 19 and name N ) 1.0 -41.73 40 2 assign (segid B and resid 18 and name C ) (segid B and resid 19 and name N ) (segid B and resid 19 and name CA ) (segid B and resid 19 and name C ) 1.0 -61.68 30 2 assign (segid B and resid 19 and name N ) (segid B and resid 19 and name CA ) (segid B and resid 19 and name C ) (segid B and resid 20 and name N ) 1.0 -43.84 40 2 assign (segid B and resid 19 and name C ) (segid B and resid 20 and name N ) (segid B and resid 20 and name CA ) (segid B and resid 20 and name C ) 1.0 -64.5 30 2 assign (segid B and resid 20 and name N ) (segid B and resid 20 and name CA ) (segid B and resid 20 and name C ) (segid B and resid 21 and name N ) 1.0 -40.47 40 2 assign (segid B and resid 20 and name C ) (segid B and resid 21 and name N ) (segid B and resid 21 and name CA ) (segid B and resid 21 and name C ) 1.0 -67.5 30 2 assign (segid B and resid 21 and name N ) (segid B and resid 21 and name CA ) (segid B and resid 21 and name C ) (segid B and resid 22 and name N ) 1.0 -38.75 40 2 assign (segid B and resid 21 and name C ) (segid B and resid 22 and name N ) (segid B and resid 22 and name CA ) (segid B and resid 22 and name C ) 1.0 -64.02 30 2 assign (segid B and resid 22 and name N ) (segid B and resid 22 and name CA ) (segid B and resid 22 and name C ) (segid B and resid 23 and name N ) 1.0 -45.06 40 2 assign (segid B and resid 22 and name C ) (segid B and resid 23 and name N ) (segid B and resid 23 and name CA ) (segid B and resid 23 and name C ) 1.0 -60.28 30 2 assign (segid B and resid 23 and name N ) (segid B and resid 23 and name CA ) (segid B and resid 23 and name C ) (segid B and resid 24 and name N ) 1.0 -40.82 40 2 assign (segid B and resid 23 and name C ) (segid B and resid 24 and name N ) (segid B and resid 24 and name CA ) (segid B and resid 24 and name C ) 1.0 -64.07 30 2 assign (segid B and resid 24 and name N ) (segid B and resid 24 and name CA ) (segid B and resid 24 and name C ) (segid B and resid 25 and name N ) 1.0 -43.35 40 2 assign (segid B and resid 24 and name C ) (segid B and resid 25 and name N ) (segid B and resid 25 and name CA ) (segid B and resid 25 and name C ) 1.0 -66.66 30 2 assign (segid B and resid 25 and name N ) (segid B and resid 25 and name CA ) (segid B and resid 25 and name C ) (segid B and resid 26 and name N ) 1.0 -25.85 40 2 assign (segid B and resid 25 and name C ) (segid B and resid 26 and name N ) (segid B and resid 26 and name CA ) (segid B and resid 26 and name C ) 1.0 -93.99 30 2 assign (segid B and resid 26 and name N ) (segid B and resid 26 and name CA ) (segid B and resid 26 and name C ) (segid B and resid 27 and name N ) 1.0 7.47 40 2 assign (segid B and resid 30 and name N ) (segid B and resid 30 and name CA ) (segid B and resid 30 and name C ) (segid B and resid 31 and name N ) 1.0 -31.41 40 2 assign (segid B and resid 30 and name C ) (segid B and resid 31 and name N ) (segid B and resid 31 and name CA ) (segid B and resid 31 and name C ) 1.0 -62.1 30 2 assign (segid B and resid 31 and name N ) (segid B and resid 31 and name CA ) (segid B and resid 31 and name C ) (segid B and resid 32 and name N ) 1.0 -38.79 40 2 assign (segid B and resid 31 and name C ) (segid B and resid 32 and name N ) (segid B and resid 32 and name CA ) (segid B and resid 32 and name C ) 1.0 -65.56 30 2 assign (segid B and resid 32 and name N ) (segid B and resid 32 and name CA ) (segid B and resid 32 and name C ) (segid B and resid 33 and name N ) 1.0 -39.55 40 2 assign (segid B and resid 32 and name C ) (segid B and resid 33 and name N ) (segid B and resid 33 and name CA ) (segid B and resid 33 and name C ) 1.0 -62.95 30 2 assign (segid B and resid 33 and name N ) (segid B and resid 33 and name CA ) (segid B and resid 33 and name C ) (segid B and resid 34 and name N ) 1.0 -43.68 40 2 assign (segid B and resid 33 and name C ) (segid B and resid 34 and name N ) (segid B and resid 34 and name CA ) (segid B and resid 34 and name C ) 1.0 -62.99 30 2 assign (segid B and resid 34 and name N ) (segid B and resid 34 and name CA ) (segid B and resid 34 and name C ) (segid B and resid 35 and name N ) 1.0 -42.49 40 2 assign (segid B and resid 34 and name C ) (segid B and resid 35 and name N ) (segid B and resid 35 and name CA ) (segid B and resid 35 and name C ) 1.0 -66.88 30 2 assign (segid B and resid 35 and name N ) (segid B and resid 35 and name CA ) (segid B and resid 35 and name C ) (segid B and resid 36 and name N ) 1.0 -39.02 40 2 assign (segid B and resid 35 and name C ) (segid B and resid 36 and name N ) (segid B and resid 36 and name CA ) (segid B and resid 36 and name C ) 1.0 -64.28 30 2 assign (segid B and resid 36 and name N ) (segid B and resid 36 and name CA ) (segid B and resid 36 and name C ) (segid B and resid 37 and name N ) 1.0 -41.95 40 2 assign (segid B and resid 36 and name C ) (segid B and resid 37 and name N ) (segid B and resid 37 and name CA ) (segid B and resid 37 and name C ) 1.0 -63.69 30 2 assign (segid B and resid 37 and name N ) (segid B and resid 37 and name CA ) (segid B and resid 37 and name C ) (segid B and resid 38 and name N ) 1.0 -39.85 40 2 assign (segid B and resid 37 and name C ) (segid B and resid 38 and name N ) (segid B and resid 38 and name CA ) (segid B and resid 38 and name C ) 1.0 -65.18 30 2 assign (segid B and resid 38 and name N ) (segid B and resid 38 and name CA ) (segid B and resid 38 and name C ) (segid B and resid 39 and name N ) 1.0 -37.95 40 2 assign (segid B and resid 38 and name C ) (segid B and resid 39 and name N ) (segid B and resid 39 and name CA ) (segid B and resid 39 and name C ) 1.0 -65.39 30 2 assign (segid B and resid 39 and name N ) (segid B and resid 39 and name CA ) (segid B and resid 39 and name C ) (segid B and resid 40 and name N ) 1.0 -38.79 40 2 assign (segid B and resid 39 and name C ) (segid B and resid 40 and name N ) (segid B and resid 40 and name CA ) (segid B and resid 40 and name C ) 1.0 -65.7 30 2 assign (segid B and resid 40 and name N ) (segid B and resid 40 and name CA ) (segid B and resid 40 and name C ) (segid B and resid 41 and name N ) 1.0 -43.84 40 2 assign (segid B and resid 40 and name C ) (segid B and resid 41 and name N ) (segid B and resid 41 and name CA ) (segid B and resid 41 and name C ) 1.0 -62.67 30 2 assign (segid B and resid 41 and name N ) (segid B and resid 41 and name CA ) (segid B and resid 41 and name C ) (segid B and resid 42 and name N ) 1.0 -43.94 40 2 assign (segid B and resid 41 and name C ) (segid B and resid 42 and name N ) (segid B and resid 42 and name CA ) (segid B and resid 42 and name C ) 1.0 -64.39 30 2 assign (segid B and resid 42 and name N ) (segid B and resid 42 and name CA ) (segid B and resid 42 and name C ) (segid B and resid 43 and name N ) 1.0 -43.18 40 2 assign (segid B and resid 42 and name C ) (segid B and resid 43 and name N ) (segid B and resid 43 and name CA ) (segid B and resid 43 and name C ) 1.0 -62.9 30 2 assign (segid B and resid 43 and name N ) (segid B and resid 43 and name CA ) (segid B and resid 43 and name C ) (segid B and resid 44 and name N ) 1.0 -42.49 40 2 assign (segid B and resid 43 and name C ) (segid B and resid 44 and name N ) (segid B and resid 44 and name CA ) (segid B and resid 44 and name C ) 1.0 -70.4 30 2 assign (segid B and resid 44 and name N ) (segid B and resid 44 and name CA ) (segid B and resid 44 and name C ) (segid B and resid 45 and name N ) 1.0 -38.92 40 2 assign (segid B and resid 44 and name C ) (segid B and resid 45 and name N ) (segid B and resid 45 and name CA ) (segid B and resid 45 and name C ) 1.0 -61.22 30 2 assign (segid B and resid 45 and name N ) (segid B and resid 45 and name CA ) (segid B and resid 45 and name C ) (segid B and resid 46 and name N ) 1.0 -37.13 40 2 assign (segid B and resid 45 and name C ) (segid B and resid 46 and name N ) (segid B and resid 46 and name CA ) (segid B and resid 46 and name C ) 1.0 -62.29 30 2 assign (segid B and resid 46 and name N ) (segid B and resid 46 and name CA ) (segid B and resid 46 and name C ) (segid B and resid 47 and name N ) 1.0 -34.63 40 2 assign (segid B and resid 49 and name C ) (segid B and resid 50 and name N ) (segid B and resid 50 and name CA ) (segid B and resid 50 and name C ) 1.0 -55.89 30 2 assign (segid B and resid 50 and name N ) (segid B and resid 50 and name CA ) (segid B and resid 50 and name C ) (segid B and resid 51 and name N ) 1.0 -34.2 40 2 assign (segid B and resid 50 and name C ) (segid B and resid 51 and name N ) (segid B and resid 51 and name CA ) (segid B and resid 51 and name C ) 1.0 -68.5 30 2 assign (segid B and resid 52 and name C ) (segid B and resid 53 and name N ) (segid B and resid 53 and name CA ) (segid B and resid 53 and name C ) 1.0 -57.23 30 2 assign (segid B and resid 53 and name N ) (segid B and resid 53 and name CA ) (segid B and resid 53 and name C ) (segid B and resid 54 and name N ) 1.0 -39.26 40 2 assign (segid B and resid 53 and name C ) (segid B and resid 54 and name N ) (segid B and resid 54 and name CA ) (segid B and resid 54 and name C ) 1.0 -64.45 30 2 assign (segid B and resid 54 and name N ) (segid B and resid 54 and name CA ) (segid B and resid 54 and name C ) (segid B and resid 55 and name N ) 1.0 -42.55 40 2 assign (segid B and resid 54 and name C ) (segid B and resid 55 and name N ) (segid B and resid 55 and name CA ) (segid B and resid 55 and name C ) 1.0 -59.91 30 2 assign (segid B and resid 55 and name N ) (segid B and resid 55 and name CA ) (segid B and resid 55 and name C ) (segid B and resid 56 and name N ) 1.0 -39.16 40 2 assign (segid B and resid 55 and name C ) (segid B and resid 56 and name N ) (segid B and resid 56 and name CA ) (segid B and resid 56 and name C ) 1.0 -66.35 30 2 assign (segid B and resid 56 and name N ) (segid B and resid 56 and name CA ) (segid B and resid 56 and name C ) (segid B and resid 57 and name N ) 1.0 -44.45 40 2 assign (segid B and resid 56 and name C ) (segid B and resid 57 and name N ) (segid B and resid 57 and name CA ) (segid B and resid 57 and name C ) 1.0 -64.95 30 2 assign (segid B and resid 57 and name N ) (segid B and resid 57 and name CA ) (segid B and resid 57 and name C ) (segid B and resid 58 and name N ) 1.0 -39.66 40 2 assign (segid B and resid 57 and name C ) (segid B and resid 58 and name N ) (segid B and resid 58 and name CA ) (segid B and resid 58 and name C ) 1.0 -65.22 30 2 assign (segid B and resid 58 and name N ) (segid B and resid 58 and name CA ) (segid B and resid 58 and name C ) (segid B and resid 59 and name N ) 1.0 -36.85 40 2 assign (segid B and resid 58 and name C ) (segid B and resid 59 and name N ) (segid B and resid 59 and name CA ) (segid B and resid 59 and name C ) 1.0 -69.73 30 2 assign (segid B and resid 59 and name N ) (segid B and resid 59 and name CA ) (segid B and resid 59 and name C ) (segid B and resid 60 and name N ) 1.0 -38.7 40 2 assign (segid B and resid 59 and name C ) (segid B and resid 60 and name N ) (segid B and resid 60 and name CA ) (segid B and resid 60 and name C ) 1.0 -64.79 30 2 assign (segid B and resid 60 and name N ) (segid B and resid 60 and name CA ) (segid B and resid 60 and name C ) (segid B and resid 61 and name N ) 1.0 -47.31 40 2 assign (segid B and resid 60 and name C ) (segid B and resid 61 and name N ) (segid B and resid 61 and name CA ) (segid B and resid 61 and name C ) 1.0 -62.15 30 2 assign (segid B and resid 61 and name N ) (segid B and resid 61 and name CA ) (segid B and resid 61 and name C ) (segid B and resid 62 and name N ) 1.0 -41.57 40 2 assign (segid B and resid 61 and name C ) (segid B and resid 62 and name N ) (segid B and resid 62 and name CA ) (segid B and resid 62 and name C ) 1.0 -64.94 30 2 assign (segid B and resid 62 and name N ) (segid B and resid 62 and name CA ) (segid B and resid 62 and name C ) (segid B and resid 63 and name N ) 1.0 -43.15 40 2 assign (segid B and resid 62 and name C ) (segid B and resid 63 and name N ) (segid B and resid 63 and name CA ) (segid B and resid 63 and name C ) 1.0 -66.87 30 2 assign (segid B and resid 63 and name N ) (segid B and resid 63 and name CA ) (segid B and resid 63 and name C ) (segid B and resid 64 and name N ) 1.0 -37.84 40 2 assign (segid B and resid 63 and name C ) (segid B and resid 64 and name N ) (segid B and resid 64 and name CA ) (segid B and resid 64 and name C ) 1.0 -64.47 30 2 assign (segid B and resid 64 and name N ) (segid B and resid 64 and name CA ) (segid B and resid 64 and name C ) (segid B and resid 65 and name N ) 1.0 -42.35 40 2 assign (segid B and resid 64 and name C ) (segid B and resid 65 and name N ) (segid B and resid 65 and name CA ) (segid B and resid 65 and name C ) 1.0 -61.59 30 2 assign (segid B and resid 65 and name N ) (segid B and resid 65 and name CA ) (segid B and resid 65 and name C ) (segid B and resid 66 and name N ) 1.0 -40.74 40 2 assign (segid B and resid 65 and name C ) (segid B and resid 66 and name N ) (segid B and resid 66 and name CA ) (segid B and resid 66 and name C ) 1.0 -62.88 30 2 assign (segid B and resid 66 and name N ) (segid B and resid 66 and name CA ) (segid B and resid 66 and name C ) (segid B and resid 67 and name N ) 1.0 -38.93 40 2 assign (segid B and resid 66 and name C ) (segid B and resid 67 and name N ) (segid B and resid 67 and name CA ) (segid B and resid 67 and name C ) 1.0 -63.54 30 2 assign (segid B and resid 67 and name N ) (segid B and resid 67 and name CA ) (segid B and resid 67 and name C ) (segid B and resid 68 and name N ) 1.0 -38.52 40 2 assign (segid B and resid 67 and name C ) (segid B and resid 68 and name N ) (segid B and resid 68 and name CA ) (segid B and resid 68 and name C ) 1.0 -66.54 30 2 assign (segid B and resid 68 and name N ) (segid B and resid 68 and name CA ) (segid B and resid 68 and name C ) (segid B and resid 69 and name N ) 1.0 -41.33 40 2 assign (segid B and resid 68 and name C ) (segid B and resid 69 and name N ) (segid B and resid 69 and name CA ) (segid B and resid 69 and name C ) 1.0 -69.6 30 2 assign (segid B and resid 69 and name N ) (segid B and resid 69 and name CA ) (segid B and resid 69 and name C ) (segid B and resid 70 and name N ) 1.0 -29.95 40 2 assign (segid A and resid 7 and name HB# )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HB# )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HD# )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HD# )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HD# )(segid B and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HE# )(segid B and resid 29 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HE# )(segid B and resid 29 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HE# )(segid B and resid 32 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HE# )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HE# )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HE# )(segid B and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HE )(segid B and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HA )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HA )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HN )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG1# )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG1# )(segid B and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG1# )(segid B and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG1# )(segid B and resid 35 and name HG# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG1# )(segid B and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG2# )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG2# )(segid B and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HA )(segid B and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HD1# )(segid B and resid 26 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HD1# )(segid B and resid 26 and name HG1 ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HD1# )(segid B and resid 26 and name HG2 ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HD1# )(segid B and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HD1# )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HD1# )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HD1# )(segid B and resid 32 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG1# )(segid B and resid 26 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG1# )(segid B and resid 26 and name HG# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid B and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid B and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid B and resid 33 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid B and resid 36 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid B and resid 36 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HD1# )(segid B and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HD1# )(segid B and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HD1# )(segid B and resid 39 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HD1# )(segid B and resid 39 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HD1# )(segid B and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HD1# )(segid B and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG11 )(segid B and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG11 )(segid B and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG12 )(segid B and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG12 )(segid B and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG1# )(segid B and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid B and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid B and resid 39 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid B and resid 39 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid B and resid 40 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid B and resid 40 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HA )(segid B and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HA )(segid B and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HB# )(segid B and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HB# )(segid B and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HN )(segid B and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HA )(segid B and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HB# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD1# )(segid B and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD1# )(segid B and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD1# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 22 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 23 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 23 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 23 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HD2# )(segid B and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HN )(segid B and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD1# )(segid B and resid 40 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD1# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD1# )(segid B and resid 43 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD1# )(segid B and resid 43 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD2# )(segid B and resid 40 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD2# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD2# )(segid B and resid 43 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD2# )(segid B and resid 43 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD2# )(segid B and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD2# )(segid B and resid 44 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HD2# )(segid B and resid 47 and name HE2# ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD1# )(segid B and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD1# )(segid B and resid 44 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD1# )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD2# )(segid B and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HA )(segid B and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HA )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HB# )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HB# )(segid B and resid 48 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HG# )(segid B and resid 47 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HG# )(segid B and resid 48 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HA )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HB# )(segid B and resid 44 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HB# )(segid B and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HB# )(segid B and resid 44 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HB# )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HN )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD1# )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HN )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD1# )(segid B and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 41 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 41 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 45 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 45 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 45 and name HG11 ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 45 and name HG12 ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HD2# )(segid B and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HG )(segid B and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HD1# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HD1# )(segid B and resid 41 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HD1# )(segid B and resid 41 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HD1# )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HD2# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA1 )(segid B and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA2 )(segid B and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA# )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA# )(segid B and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA# )(segid B and resid 64 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HN )(segid B and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HN )(segid B and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HN )(segid B and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid A and resid 39 and name HN )(segid B and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HB )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG1# )(segid B and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG1# )(segid B and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG1# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG1# )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG1# )(segid B and resid 64 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG2# )(segid B and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG2# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 41 and name HG2# )(segid B and resid 64 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 42 and name HA )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 42 and name HA )(segid B and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 42 and name HB )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 42 and name HG2# )(segid B and resid 64 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 42 and name HG2# )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 42 and name HG2# )(segid B and resid 68 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 42 and name HN )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 45 and name HB )(segid B and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 45 and name HD1# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 45 and name HD1# )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 45 and name HD1# )(segid B and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 45 and name HD1# )(segid B and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 45 and name HG2# )(segid B and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 46 and name HB# )(segid B and resid 71 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 53 and name HB# )(segid B and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 53 and name HD# )(segid B and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 53 and name HG# )(segid B and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 54 and name HG2# )(segid B and resid 69 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 54 and name HG2# )(segid B and resid 69 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 57 and name HB )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 57 and name HB )(segid B and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 57 and name HB )(segid B and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 57 and name HG1# )(segid B and resid 65 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 57 and name HG2# )(segid B and resid 65 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 57 and name HG2# )(segid B and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 57 and name HG2# )(segid B and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 58 and name HA )(segid B and resid 65 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 58 and name HA )(segid B and resid 65 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HB# )(segid B and resid 61 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HD# )(segid B and resid 61 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HD# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HD# )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HE# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HE# )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HZ )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HZ )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HA )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HG2# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HG2# )(segid B and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HG2# )(segid B and resid 65 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HG2# )(segid B and resid 65 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HG2# )(segid B and resid 65 and name HG# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HG2# )(segid B and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HB# )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HB# )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HD# )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HD# )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HD# )(segid A and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HE# )(segid A and resid 29 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HE# )(segid A and resid 29 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HE# )(segid A and resid 32 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HE# )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HE# )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HE# )(segid A and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HE )(segid A and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HA )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HA )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HN )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG1# )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG1# )(segid A and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG1# )(segid A and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG1# )(segid A and resid 35 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG1# )(segid A and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG2# )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG2# )(segid A and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HA )(segid A and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HD1# )(segid A and resid 26 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HD1# )(segid A and resid 26 and name HG1 ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HD1# )(segid A and resid 26 and name HG2 ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HD1# )(segid A and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HD1# )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HD1# )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HD1# )(segid A and resid 32 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG1# )(segid A and resid 26 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG1# )(segid A and resid 26 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid A and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid A and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid A and resid 33 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid A and resid 36 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid A and resid 36 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HD1# )(segid A and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HD1# )(segid A and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HD1# )(segid A and resid 39 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HD1# )(segid A and resid 39 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HD1# )(segid A and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HD1# )(segid A and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG11 )(segid A and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG11 )(segid A and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG12 )(segid A and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG12 )(segid A and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG1# )(segid A and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid A and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid A and resid 39 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid A and resid 39 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid A and resid 40 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid A and resid 40 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HA )(segid A and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HA )(segid A and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HB# )(segid A and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HB# )(segid A and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HN )(segid A and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HA )(segid A and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HB# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD1# )(segid A and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD1# )(segid A and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD1# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 22 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 23 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 23 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 23 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HD2# )(segid A and resid 36 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HN )(segid A and resid 22 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD1# )(segid A and resid 40 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD1# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD1# )(segid A and resid 43 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD1# )(segid A and resid 43 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD2# )(segid A and resid 40 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD2# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD2# )(segid A and resid 43 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD2# )(segid A and resid 43 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD2# )(segid A and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD2# )(segid A and resid 44 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HD2# )(segid A and resid 47 and name HE2# ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD1# )(segid A and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD1# )(segid A and resid 44 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD1# )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD2# )(segid A and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HA )(segid A and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HA )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HB# )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HB# )(segid A and resid 48 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HG# )(segid A and resid 47 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HG# )(segid A and resid 48 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HA )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HB# )(segid A and resid 44 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HB# )(segid A and resid 44 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HB# )(segid A and resid 44 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HB# )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HN )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD1# )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HN )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD1# )(segid A and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 41 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 41 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 45 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 45 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 45 and name HG11 ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 45 and name HG12 ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HD2# )(segid A and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HG )(segid A and resid 44 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HD1# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HD1# )(segid A and resid 41 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HD1# )(segid A and resid 41 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HD1# )(segid A and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HD2# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA1 )(segid A and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA2 )(segid A and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA# )(segid A and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA# )(segid A and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA# )(segid A and resid 64 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HN )(segid A and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HN )(segid A and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HN )(segid A and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HN )(segid A and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HB )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid A and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid A and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid A and resid 64 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG2# )(segid A and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG2# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG2# )(segid A and resid 64 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HA )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HA )(segid A and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HB )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HG2# )(segid A and resid 64 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HG2# )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HG2# )(segid A and resid 68 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HN )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HB )(segid A and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid A and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid A and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid A and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HB# )(segid A and resid 71 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HB# )(segid A and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HD# )(segid A and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HG# )(segid A and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HG2# )(segid A and resid 69 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HG2# )(segid A and resid 69 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HB )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HB )(segid A and resid 68 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HB )(segid A and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG1# )(segid A and resid 65 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG2# )(segid A and resid 65 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG2# )(segid A and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG2# )(segid A and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 58 and name HA )(segid A and resid 65 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 58 and name HA )(segid A and resid 65 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HB# )(segid A and resid 61 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HD# )(segid A and resid 61 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HD# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HD# )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HE# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HE# )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HZ )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HZ )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HA )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HG2# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HG2# )(segid A and resid 64 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HG2# )(segid A and resid 65 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HG2# )(segid A and resid 65 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HG2# )(segid A and resid 65 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HG2# )(segid A and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 5 and name HA )(segid A and resid 7 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 5 and name HB# )(segid A and resid 7 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HA )(segid A and resid 8 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 7 and name HB1 )(segid A and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HB2 )(segid A and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HB# )(segid A and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HD# )(segid A and resid 11 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HD# )(segid A and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 7 and name HE# )(segid A and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HA )(segid A and resid 11 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HA )(segid A and resid 9 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 8 and name HB# )(segid A and resid 10 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HB# )(segid A and resid 11 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HB# )(segid A and resid 11 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HN )(segid A and resid 11 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HN )(segid A and resid 11 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HN )(segid A and resid 11 and name HG# ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HN )(segid A and resid 11 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HN )(segid A and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 8 and name HN )(segid A and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 9 and name HA )(segid A and resid 12 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 9 and name HA )(segid A and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 9 and name HA )(segid A and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 9 and name HA )(segid A and resid 13 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 9 and name HN )(segid A and resid 10 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 9 and name HN )(segid A and resid 11 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 10 and name HA )(segid A and resid 13 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 10 and name HA )(segid A and resid 13 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 10 and name HA )(segid A and resid 14 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 10 and name HN )(segid A and resid 11 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 10 and name HN )(segid A and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 10 and name HN )(segid A and resid 13 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HA )(segid A and resid 14 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HA )(segid A and resid 14 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HA )(segid A and resid 14 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HA )(segid A and resid 14 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HA )(segid A and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HD# )(segid A and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HG# )(segid A and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HG# )(segid A and resid 15 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HG# )(segid A and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 11 and name HH# )(segid A and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HA )(segid A and resid 15 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HA )(segid A and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HA )(segid A and resid 15 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HA )(segid A and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HG1# )(segid A and resid 13 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 12 and name HN )(segid A and resid 13 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 12 and name HN )(segid A and resid 14 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HA )(segid A and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HA )(segid A and resid 16 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HA )(segid A and resid 16 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HA )(segid A and resid 16 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HA )(segid A and resid 16 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HG# )(segid A and resid 16 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HN )(segid A and resid 14 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 13 and name HN )(segid A and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 13 and name HN )(segid A and resid 16 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 14 and name HA )(segid A and resid 17 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 14 and name HA )(segid A and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 14 and name HG# )(segid A and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 14 and name HN )(segid A and resid 15 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 14 and name HN )(segid A and resid 15 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 14 and name HN )(segid A and resid 16 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 14 and name HN )(segid A and resid 17 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HA )(segid A and resid 18 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HA )(segid A and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HA )(segid A and resid 19 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG1# )(segid A and resid 18 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid A and resid 18 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid A and resid 19 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HG2# )(segid A and resid 19 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 15 and name HN )(segid A and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HA )(segid A and resid 19 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HA )(segid A and resid 19 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HA )(segid A and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid A and resid 20 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid A and resid 20 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 16 and name HG2# )(segid A and resid 20 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HA )(segid A and resid 20 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HA )(segid A and resid 20 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HA )(segid A and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HA )(segid A and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HE2# )(segid A and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HE22 )(segid A and resid 20 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HE22 )(segid A and resid 20 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HG# )(segid A and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 17 and name HN )(segid A and resid 18 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 17 and name HN )(segid A and resid 19 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HA )(segid A and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HA )(segid A and resid 21 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HA )(segid A and resid 21 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HA )(segid A and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HA )(segid A and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HN )(segid A and resid 19 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 18 and name HN )(segid A and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 18 and name HN )(segid A and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HA )(segid A and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HA )(segid A and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HN )(segid A and resid 20 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HN )(segid A and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 19 and name HN )(segid A and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HA )(segid A and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HN )(segid A and resid 21 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 20 and name HN )(segid A and resid 21 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 20 and name HN )(segid A and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HA )(segid A and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HA )(segid A and resid 24 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HA )(segid A and resid 24 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HA )(segid A and resid 24 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HA )(segid A and resid 24 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HA )(segid A and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HB# )(segid A and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HB# )(segid A and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HN )(segid A and resid 22 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HN )(segid A and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 21 and name HN )(segid A and resid 22 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 21 and name HN )(segid A and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HA )(segid A and resid 25 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HA )(segid A and resid 25 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HA )(segid A and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HA )(segid A and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HB )(segid A and resid 23 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HN )(segid A and resid 23 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HN )(segid A and resid 23 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 22 and name HN )(segid A and resid 23 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 22 and name HN )(segid A and resid 24 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HA )(segid A and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HA )(segid A and resid 26 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HA )(segid A and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HB# )(segid A and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD1# )(segid A and resid 33 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD1# )(segid A and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD2# )(segid A and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD2# )(segid A and resid 33 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HD2# )(segid A and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HN )(segid A and resid 24 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 23 and name HN )(segid A and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 23 and name HN )(segid A and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 24 and name HA )(segid A and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 24 and name HA )(segid A and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 24 and name HG1# )(segid A and resid 25 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 24 and name HG1# )(segid A and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 24 and name HG1# )(segid A and resid 27 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 24 and name HN )(segid A and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 25 and name HA )(segid A and resid 27 and name HG# ) 1.8 0.0 3.2 assign (segid A and resid 25 and name HB# )(segid A and resid 27 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 25 and name HN )(segid A and resid 26 and name HG# ) 1.8 0.0 3.2 assign (segid A and resid 25 and name HN )(segid A and resid 26 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 25 and name HN )(segid A and resid 27 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 26 and name HA )(segid A and resid 27 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 26 and name HB# )(segid A and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 26 and name HG2 )(segid A and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid A and resid 26 and name HG# )(segid A and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 26 and name HN )(segid A and resid 27 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 27 and name HN )(segid A and resid 28 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 28 and name HA )(segid A and resid 29 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HB )(segid A and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HB )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HB )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HB )(segid A and resid 32 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HG1# )(segid A and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HG1# )(segid A and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HG1# )(segid A and resid 32 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HG1# )(segid A and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HG2# )(segid A and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 28 and name HG2# )(segid A and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HA )(segid A and resid 30 and name HD1 ) 1.8 0.0 1.2 assign (segid A and resid 29 and name HA )(segid A and resid 30 and name HD2 ) 1.8 0.0 1.2 assign (segid A and resid 29 and name HA )(segid A and resid 31 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HA )(segid A and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HB )(segid A and resid 30 and name HD1 ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HB )(segid A and resid 30 and name HD2 ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HB )(segid A and resid 31 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HB )(segid A and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HG2# )(segid A and resid 30 and name HD1 ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HG2# )(segid A and resid 30 and name HD2 ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HG2# )(segid A and resid 31 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HN )(segid A and resid 30 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HN )(segid A and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HN )(segid A and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 29 and name HN )(segid A and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HA )(segid A and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HA )(segid A and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HB# )(segid A and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HB# )(segid A and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HB# )(segid A and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 30 and name HD# )(segid A and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 31 and name HA )(segid A and resid 34 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 31 and name HA )(segid A and resid 34 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 31 and name HA )(segid A and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 31 and name HN )(segid A and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 31 and name HN )(segid A and resid 32 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 31 and name HN )(segid A and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HA )(segid A and resid 34 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HA )(segid A and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HA )(segid A and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HA )(segid A and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HA )(segid A and resid 36 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HD1# )(segid A and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HD1# )(segid A and resid 35 and name HG# ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HD1# )(segid A and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HD1# )(segid A and resid 36 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HN )(segid A and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HN )(segid A and resid 33 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 32 and name HN )(segid A and resid 34 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HN )(segid A and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 32 and name HN )(segid A and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HA )(segid A and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HA )(segid A and resid 36 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HA )(segid A and resid 37 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HB# )(segid A and resid 34 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HB# )(segid A and resid 37 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HN )(segid A and resid 34 and name HG ) 1.8 0.0 3.2 assign (segid A and resid 33 and name HN )(segid A and resid 34 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 33 and name HN )(segid A and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HA )(segid A and resid 37 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HA )(segid A and resid 37 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HN )(segid A and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 34 and name HN )(segid A and resid 35 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 35 and name HA )(segid A and resid 38 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 35 and name HA )(segid A and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 35 and name HA )(segid A and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 35 and name HG1 )(segid A and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 35 and name HG2 )(segid A and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 35 and name HG# )(segid A and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 35 and name HG# )(segid A and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 35 and name HN )(segid A and resid 36 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 35 and name HN )(segid A and resid 37 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 36 and name HA )(segid A and resid 39 and name HB1 ) 1.8 0.0 3.2 assign (segid A and resid 36 and name HA )(segid A and resid 39 and name HB2 ) 1.8 0.0 3.2 assign (segid A and resid 36 and name HA )(segid A and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid A and resid 36 and name HA )(segid A and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 36 and name HA )(segid A and resid 40 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 36 and name HB# )(segid A and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 36 and name HN )(segid A and resid 37 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 36 and name HN )(segid A and resid 38 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HA )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HA )(segid A and resid 40 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HA )(segid A and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HA )(segid A and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HB# )(segid A and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HB# )(segid A and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 37 and name HD2# )(segid A and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA1 )(segid A and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA1 )(segid A and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA2 )(segid A and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA2 )(segid A and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HA# )(segid A and resid 41 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HN )(segid A and resid 39 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 38 and name HN )(segid A and resid 39 and 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1.8 0.0 1.7 assign (segid A and resid 58 and name HN )(segid A and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 58 and name HN )(segid A and resid 60 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HA )(segid A and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HA )(segid A and resid 62 and name HD# ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HA )(segid A and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HA )(segid A and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HB# )(segid A and resid 61 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HB# )(segid A and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HN )(segid A and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HN )(segid A and resid 61 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HN )(segid A and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 59 and name HN )(segid A and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HA )(segid A and resid 63 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HA )(segid A and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HA )(segid A and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HB# )(segid A and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HD# )(segid A and resid 61 and name HA ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HE# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HN )(segid A and resid 61 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 60 and name HN )(segid A and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HN )(segid A and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 60 and name HZ )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HA )(segid A and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HA )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HA )(segid A and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HA )(segid A and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HG2# )(segid A and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HN )(segid A and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HN )(segid A and resid 62 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 61 and name HN )(segid A and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 61 and name HN )(segid A and resid 64 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 62 and name HA )(segid A and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 62 and name HA )(segid A and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 62 and name HA )(segid A and resid 66 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 62 and name HB# )(segid A and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 62 and name HN )(segid A and resid 63 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 62 and name HN )(segid A and resid 63 and name HN ) 1.8 0.0 1.1 assign (segid A and resid 63 and name HA )(segid A and resid 66 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 63 and name HA )(segid A and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 64 and name HA )(segid A and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 64 and name HA )(segid A and resid 68 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 64 and name HB# )(segid A and resid 66 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 64 and name HB# )(segid A and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 65 and name HA )(segid A and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 65 and name HA )(segid A and resid 68 and name HB ) 1.8 0.0 3.2 assign (segid A and resid 65 and name HA )(segid A and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 65 and name HA )(segid A and resid 68 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 65 and name HA )(segid A and resid 69 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 65 and name HB# )(segid A and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 66 and name HA )(segid A and resid 69 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 66 and name HA )(segid A and resid 69 and name HD1# ) 1.8 0.0 3.2 assign (segid A and resid 66 and name HA )(segid A and resid 69 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 66 and name HA )(segid A and resid 70 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 66 and name HN )(segid A and resid 67 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 67 and name HA )(segid A and resid 70 and name HB# ) 1.8 0.0 3.2 assign (segid A and resid 67 and name HA )(segid A and resid 70 and name HN ) 1.8 0.0 3.2 assign (segid A and resid 67 and name HN )(segid A and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid A and resid 67 and name HN )(segid A and resid 68 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 70 and name HA )(segid A and resid 71 and name HN ) 1.8 0.0 1.7 assign (segid A and resid 70 and name HN )(segid A and resid 71 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 5 and name HA )(segid B and resid 7 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 5 and name HB# )(segid B and resid 7 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HA )(segid B and resid 8 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 7 and name HB1 )(segid B and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HB2 )(segid B and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HB# )(segid B and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HD# )(segid B and resid 11 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HD# )(segid B and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 7 and name HE# )(segid B and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HA )(segid B and resid 11 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HA )(segid B and resid 9 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 8 and name HB# )(segid B and resid 10 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HB# )(segid B and resid 11 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HB# )(segid B and resid 11 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HN )(segid B and resid 11 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HN )(segid B and resid 11 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HN )(segid B and resid 11 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HN )(segid B and resid 11 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HN )(segid B and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 8 and name HN )(segid B and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 9 and name HA )(segid B and resid 12 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 9 and name HA )(segid B and resid 12 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 9 and name HA )(segid B and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 9 and name HA )(segid B and resid 13 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 9 and name HN )(segid B and resid 10 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 9 and name HN )(segid B and resid 11 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 10 and name HA )(segid B and resid 13 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 10 and name HA )(segid B and resid 13 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 10 and name HA )(segid B and resid 14 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 10 and name HN )(segid B and resid 11 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 10 and name HN )(segid B and resid 12 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 10 and name HN )(segid B and resid 13 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HA )(segid B and resid 14 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HA )(segid B and resid 14 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HA )(segid B and resid 14 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HA )(segid B and resid 14 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HA )(segid B and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HD# )(segid B and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HG# )(segid B and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HG# )(segid B and resid 15 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HG# )(segid B and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 11 and name HH# )(segid B and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HA )(segid B and resid 15 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HA )(segid B and resid 15 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HA )(segid B and resid 15 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HA )(segid B and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HG1# )(segid B and resid 13 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 12 and name HN )(segid B and resid 13 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 12 and name HN )(segid B and resid 14 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HA )(segid B and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HA )(segid B and resid 16 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HA )(segid B and resid 16 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HA )(segid B and resid 16 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HA )(segid B and resid 16 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HG# )(segid B and resid 16 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HN )(segid B and resid 14 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 13 and name HN )(segid B and resid 15 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 13 and name HN )(segid B and resid 16 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 14 and name HA )(segid B and resid 17 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 14 and name HA )(segid B and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 14 and name HG# )(segid B and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 14 and name HN )(segid B and resid 15 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 14 and name HN )(segid B and resid 15 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 14 and name HN )(segid B and resid 16 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 14 and name HN )(segid B and resid 17 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HA )(segid B and resid 18 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HA )(segid B and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HA )(segid B and resid 19 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG1# )(segid B and resid 18 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid B and resid 18 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid B and resid 19 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HG2# )(segid B and resid 19 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 15 and name HN )(segid B and resid 18 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HA )(segid B and resid 19 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HA )(segid B and resid 19 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HA )(segid B and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid B and resid 20 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid B and resid 20 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 16 and name HG2# )(segid B and resid 20 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HA )(segid B and resid 20 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HA )(segid B and resid 20 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HA )(segid B and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HA )(segid B and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HE2# )(segid B and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HE22 )(segid B and resid 20 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HE22 )(segid B and resid 20 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HG# )(segid B and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 17 and name HN )(segid B and resid 18 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 17 and name HN )(segid B and resid 19 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HA )(segid B and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HA )(segid B and resid 21 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HA )(segid B and resid 21 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HA )(segid B and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HA )(segid B and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HN )(segid B and resid 19 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 18 and name HN )(segid B and resid 20 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 18 and name HN )(segid B and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HA )(segid B and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HA )(segid B and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HN )(segid B and resid 20 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HN )(segid B and resid 21 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 19 and name HN )(segid B and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HA )(segid B and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HN )(segid B and resid 21 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 20 and name HN )(segid B and resid 21 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 20 and name HN )(segid B and resid 22 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HA )(segid B and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HA )(segid B and resid 24 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HA )(segid B and resid 24 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HA )(segid B and resid 24 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HA )(segid B and resid 24 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HA )(segid B and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HB# )(segid B and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HB# )(segid B and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HN )(segid B and resid 22 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HN )(segid B and resid 22 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 21 and name HN )(segid B and resid 22 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 21 and name HN )(segid B and resid 23 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HA )(segid B and resid 25 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HA )(segid B and resid 25 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HA )(segid B and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HA )(segid B and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HB )(segid B and resid 23 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HN )(segid B and resid 23 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HN )(segid B and resid 23 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 22 and name HN )(segid B and resid 23 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 22 and name HN )(segid B and resid 24 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HA )(segid B and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HA )(segid B and resid 26 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HA )(segid B and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HB# )(segid B and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD1# )(segid B and resid 33 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD1# )(segid B and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD2# )(segid B and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD2# )(segid B and resid 33 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HD2# )(segid B and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HN )(segid B and resid 24 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 23 and name HN )(segid B and resid 25 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 23 and name HN )(segid B and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 24 and name HA )(segid B and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 24 and name HA )(segid B and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 24 and name HG1# )(segid B and resid 25 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 24 and name HG1# )(segid B and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 24 and name HG1# )(segid B and resid 27 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 24 and name HN )(segid B and resid 26 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 25 and name HA )(segid B and resid 27 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 25 and name HB# )(segid B and resid 27 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 25 and name HN )(segid B and resid 26 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 25 and name HN )(segid B and resid 26 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 25 and name HN )(segid B and resid 27 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 26 and name HA )(segid B and resid 27 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 26 and name HB# )(segid B and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 26 and name HG2 )(segid B and resid 28 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 26 and name HG# )(segid B and resid 28 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 26 and name HN )(segid B and resid 27 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 27 and name HN )(segid B and resid 28 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 28 and name HA )(segid B and resid 29 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HB )(segid B and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HB )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HB )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HB )(segid B and resid 32 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HG1# )(segid B and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HG1# )(segid B and resid 32 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HG1# )(segid B and resid 32 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HG1# )(segid B and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HG2# )(segid B and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 28 and name HG2# )(segid B and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HA )(segid B and resid 30 and name HD1 ) 1.8 0.0 1.2 assign (segid B and resid 29 and name HA )(segid B and resid 30 and name HD2 ) 1.8 0.0 1.2 assign (segid B and resid 29 and name HA )(segid B and resid 31 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HA )(segid B and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HB )(segid B and resid 30 and name HD1 ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HB )(segid B and resid 30 and name HD2 ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HB )(segid B and resid 31 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HB )(segid B and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HG2# )(segid B and resid 30 and name HD1 ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HG2# )(segid B and resid 30 and name HD2 ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HG2# )(segid B and resid 31 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HN )(segid B and resid 30 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HN )(segid B and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HN )(segid B and resid 32 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 29 and name HN )(segid B and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HA )(segid B and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HA )(segid B and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HB# )(segid B and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HB# )(segid B and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HB# )(segid B and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 30 and name HD# )(segid B and resid 32 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 31 and name HA )(segid B and resid 34 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 31 and name HA )(segid B and resid 34 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 31 and name HA )(segid B and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 31 and name HN )(segid B and resid 32 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 31 and name HN )(segid B and resid 32 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 31 and name HN )(segid B and resid 33 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HA )(segid B and resid 34 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HA )(segid B and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HA )(segid B and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HA )(segid B and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HA )(segid B and resid 36 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HD1# )(segid B and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HD1# )(segid B and resid 35 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HD1# )(segid B and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HD1# )(segid B and resid 36 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HN )(segid B and resid 33 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HN )(segid B and resid 33 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 32 and name HN )(segid B and resid 34 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HN )(segid B and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 32 and name HN )(segid B and resid 35 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HA )(segid B and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HA )(segid B and resid 36 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HA )(segid B and resid 37 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HB# )(segid B and resid 34 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HB# )(segid B and resid 37 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HN )(segid B and resid 34 and name HG ) 1.8 0.0 3.2 assign (segid B and resid 33 and name HN )(segid B and resid 34 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 33 and name HN )(segid B and resid 35 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HA )(segid B and resid 37 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HA )(segid B and resid 37 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HN )(segid B and resid 35 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 34 and name HN )(segid B and resid 35 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 35 and name HA )(segid B and resid 38 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 35 and name HA )(segid B and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 35 and name HA )(segid B and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 35 and name HG1 )(segid B and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 35 and name HG2 )(segid B and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 35 and name HG# )(segid B and resid 36 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 35 and name HG# )(segid B and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 35 and name HN )(segid B and resid 36 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 35 and name HN )(segid B and resid 37 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 36 and name HA )(segid B and resid 39 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 36 and name HA )(segid B and resid 39 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 36 and name HA )(segid B and resid 39 and name HD2# ) 1.8 0.0 3.2 assign (segid B and resid 36 and name HA )(segid B and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 36 and name HA )(segid B and resid 40 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 36 and name HB# )(segid B and resid 39 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 36 and name HN )(segid B and resid 37 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 36 and name HN )(segid B and resid 38 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HA )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HA )(segid B and resid 40 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HA )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HA )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HB# )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HB# )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 37 and name HD2# )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA1 )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA1 )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA2 )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA2 )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HA# )(segid B and resid 41 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HN )(segid B and resid 39 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HN )(segid B and resid 39 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 38 and name HN )(segid B and resid 40 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 38 and name HN )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HA )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HA )(segid B and resid 42 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HA )(segid B and resid 42 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HB# )(segid B and resid 40 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HB# )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HB# )(segid B and resid 42 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HN )(segid B and resid 40 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HN )(segid B and resid 40 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 39 and name HN )(segid B and resid 41 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 39 and name HN )(segid B and resid 42 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 40 and name HA )(segid B and resid 42 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 40 and name HA )(segid B and resid 43 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 40 and name HA )(segid B and resid 44 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 40 and name HB# )(segid B and resid 41 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 40 and name HN )(segid B and resid 41 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 40 and name HN )(segid B and resid 41 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 40 and name HN )(segid B and resid 43 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HA )(segid B and resid 43 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HA )(segid B and resid 44 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HA )(segid B and resid 44 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid B and resid 45 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid B and resid 45 and name HG11 ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid B and resid 45 and name HG12 ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid B and resid 45 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid B and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid B and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG1# )(segid B and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG2# )(segid B and resid 60 and name HE# ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HG2# )(segid B and resid 60 and name HZ ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HN )(segid B and resid 42 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 41 and name HN )(segid B and resid 42 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 41 and name HN )(segid B and resid 43 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HA )(segid B and resid 45 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HN )(segid B and resid 43 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 42 and name HN )(segid B and resid 43 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 42 and name HN )(segid B and resid 44 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 43 and name HA )(segid B and resid 46 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 43 and name HA )(segid B and resid 46 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 43 and name HN )(segid B and resid 45 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HA )(segid B and resid 46 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HA )(segid B and resid 47 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HA )(segid B and resid 47 and name HE21 ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HA )(segid B and resid 47 and name HE22 ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HA )(segid B and resid 47 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HA )(segid B and resid 47 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HD1# )(segid B and resid 47 and name HE21 ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HD1# )(segid B and resid 47 and name HE22 ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HG2# )(segid B and resid 46 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HG2# )(segid B and resid 47 and name HE22 ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HG2# )(segid B and resid 47 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 44 and name HN )(segid B and resid 45 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 45 and name HA )(segid B and resid 47 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HA )(segid B and resid 48 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HA )(segid B and resid 48 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HB )(segid B and resid 47 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid B and resid 56 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid B and resid 56 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid B and resid 57 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid B and resid 57 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid B and resid 57 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid B and resid 57 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HD1# )(segid B and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG1# )(segid B and resid 57 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 46 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 46 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 47 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 48 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HD1 ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HD2 ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HE ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HG1 ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 53 and name HG2 ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 54 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 56 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 56 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 56 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 57 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HG2# )(segid B and resid 57 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 45 and name HN )(segid B and resid 46 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 45 and name HN )(segid B and resid 47 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HA )(segid B and resid 48 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HA )(segid B and resid 48 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HA )(segid B and resid 53 and name HE ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HB# )(segid B and resid 47 and name HE21 ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HB# )(segid B and resid 47 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HB# )(segid B and resid 48 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HN )(segid B and resid 47 and name HE2# ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HN )(segid B and resid 47 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 46 and name HN )(segid B and resid 47 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 47 and name HN )(segid B and resid 48 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 47 and name HN )(segid B and resid 48 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 48 and name HA )(segid B and resid 49 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HA )(segid B and resid 49 and name HD1 ) 1.8 0.0 1.2 assign (segid B and resid 48 and name HA )(segid B and resid 49 and name HD2 ) 1.8 0.0 1.2 assign (segid B and resid 48 and name HA )(segid B and resid 49 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HB )(segid B and resid 49 and name HD1 ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HB )(segid B and resid 49 and name HD2 ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HB )(segid B and resid 53 and name HE ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG1# )(segid B and resid 49 and name HD1 ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG1# )(segid B and resid 49 and name HD2 ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG1# )(segid B and resid 52 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG1# )(segid B and resid 52 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG1# )(segid B and resid 53 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG1# )(segid B and resid 56 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG2# )(segid B and resid 53 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG2# )(segid B and resid 53 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG# )(segid B and resid 52 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HG# )(segid B and resid 53 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 48 and name HN )(segid B and resid 53 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HA )(segid B and resid 53 and name HE ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HB1 )(segid B and resid 51 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HB2 )(segid B and resid 51 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HB# )(segid B and resid 51 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HB# )(segid B and resid 52 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HB# )(segid B and resid 52 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HD1 )(segid B and resid 52 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HD2 )(segid B and resid 52 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 49 and name HG# )(segid B and resid 52 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 52 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 53 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 53 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 53 and name HD1 ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 53 and name HD2 ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 53 and name HE ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 53 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HA )(segid B and resid 53 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HB# )(segid B and resid 53 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HG# )(segid B and resid 53 and name HE ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HG# )(segid B and resid 53 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HN )(segid B and resid 51 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HN )(segid B and resid 51 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 50 and name HN )(segid B and resid 52 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HN )(segid B and resid 53 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HN )(segid B and resid 53 and name HE ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HN )(segid B and resid 53 and name HH1# ) 1.8 0.0 3.2 assign (segid B and resid 50 and name HN )(segid B and resid 53 and name HH2# ) 1.8 0.0 3.2 assign (segid B and resid 51 and name HA )(segid B and resid 53 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 51 and name HN )(segid B and resid 52 and name HG# ) 1.8 0.0 3.2 assign (segid B and resid 51 and name HN )(segid B and resid 52 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 51 and name HN )(segid B and resid 53 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 52 and name HA )(segid B and resid 54 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 52 and name HA )(segid B and resid 55 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 52 and name HA )(segid B and resid 55 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 52 and name HB# )(segid B and resid 55 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 52 and name HB# )(segid B and resid 56 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 52 and name HG# )(segid B and resid 56 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 52 and name HN )(segid B and resid 53 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 52 and name HN )(segid B and resid 54 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HA )(segid B and resid 56 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HA )(segid B and resid 56 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HA )(segid B and resid 56 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HA )(segid B and resid 57 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HB# )(segid B and resid 54 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 53 and name HN )(segid B and resid 54 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 53 and name HN )(segid B and resid 55 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HA )(segid B and resid 57 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HA )(segid B and resid 57 and name HG1# ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HA )(segid B and resid 57 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HA )(segid B and resid 58 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HB )(segid B and resid 55 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HG1# )(segid B and resid 55 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HG1# )(segid B and resid 58 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HN )(segid B and resid 55 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 54 and name HN )(segid B and resid 55 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 55 and name HA )(segid B and resid 57 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 55 and name HA )(segid B and resid 58 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 55 and name HA )(segid B and resid 58 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 55 and name HA )(segid B and resid 58 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 55 and name HA )(segid B and resid 59 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 55 and name HB# )(segid B and resid 56 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 55 and name HB# )(segid B and resid 58 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 56 and name HA )(segid B and resid 59 and name HB1 ) 1.8 0.0 3.2 assign (segid B and resid 56 and name HA )(segid B and resid 59 and name HB2 ) 1.8 0.0 3.2 assign (segid B and resid 56 and name HA )(segid B and resid 59 and name HD22 ) 1.8 0.0 3.2 assign (segid B and resid 56 and name HA )(segid B and resid 59 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 56 and name HA )(segid B and resid 60 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 56 and name HN )(segid B and resid 57 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 56 and name HN )(segid B and resid 58 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HA )(segid B and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HA )(segid B and resid 60 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HA )(segid B and resid 60 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HA )(segid B and resid 61 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG1# )(segid B and resid 58 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG2# )(segid B and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG2# )(segid B and resid 61 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HG2# )(segid B and resid 61 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 57 and name HN )(segid B and resid 58 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 58 and name HA )(segid B and resid 61 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 58 and name HA )(segid B and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 58 and name HB# )(segid B and resid 60 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 58 and name HB# )(segid B and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 58 and name HN )(segid B and resid 59 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 58 and name HN )(segid B and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 58 and name HN )(segid B and resid 60 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HA )(segid B and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HA )(segid B and resid 62 and name HD# ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HA )(segid B and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HA )(segid B and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HB# )(segid B and resid 61 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HB# )(segid B and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HN )(segid B and resid 60 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HN )(segid B and resid 61 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HN )(segid B and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 59 and name HN )(segid B and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HA )(segid B and resid 63 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HA )(segid B and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HA )(segid B and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HB# )(segid B and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HD# )(segid B and resid 61 and name HA ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HE# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HN )(segid B and resid 61 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 60 and name HN )(segid B and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HN )(segid B and resid 62 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 60 and name HZ )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HA )(segid B and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HA )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HA )(segid B and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HA )(segid B and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HG2# )(segid B and resid 64 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HN )(segid B and resid 62 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HN )(segid B and resid 62 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 61 and name HN )(segid B and resid 63 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 61 and name HN )(segid B and resid 64 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 62 and name HA )(segid B and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 62 and name HA )(segid B and resid 65 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 62 and name HA )(segid B and resid 66 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 62 and name HB# )(segid B and resid 64 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 62 and name HN )(segid B and resid 63 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 62 and name HN )(segid B and resid 63 and name HN ) 1.8 0.0 1.1 assign (segid B and resid 63 and name HA )(segid B and resid 66 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 63 and name HA )(segid B and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 64 and name HA )(segid B and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 64 and name HA )(segid B and resid 68 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 64 and name HB# )(segid B and resid 66 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 64 and name HB# )(segid B and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 65 and name HA )(segid B and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 65 and name HA )(segid B and resid 68 and name HB ) 1.8 0.0 3.2 assign (segid B and resid 65 and name HA )(segid B and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 65 and name HA )(segid B and resid 68 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 65 and name HA )(segid B and resid 69 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 65 and name HB# )(segid B and resid 67 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 66 and name HA )(segid B and resid 69 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 66 and name HA )(segid B and resid 69 and name HD1# ) 1.8 0.0 3.2 assign (segid B and resid 66 and name HA )(segid B and resid 69 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 66 and name HA )(segid B and resid 70 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 66 and name HN )(segid B and resid 67 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 67 and name HA )(segid B and resid 70 and name HB# ) 1.8 0.0 3.2 assign (segid B and resid 67 and name HA )(segid B and resid 70 and name HN ) 1.8 0.0 3.2 assign (segid B and resid 67 and name HN )(segid B and resid 68 and name HG2# ) 1.8 0.0 3.2 assign (segid B and resid 67 and name HN )(segid B and resid 68 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 70 and name HA )(segid B and resid 71 and name HN ) 1.8 0.0 1.7 assign (segid B and resid 70 and name HN )(segid B and resid 71 and name HB# ) 1.8 0.0 3.2 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -8.759 -24.799 -7.579 2 2H MET 1 HT2 MET 1 -9.232 -23.428 -8.453 3 3H MET 1 HT3 MET 1 -10.220 -24.802 -8.445 4 HA MET 1 HA MET 1 -10.565 -24.530 -6.054 5 1HB MET 1 HB2 MET 1 -9.024 -21.973 -6.546 6 2HB MET 1 HB1 MET 1 -9.959 -22.295 -5.093 7 1HG MET 1 HG2 MET 1 -7.618 -23.929 -6.042 8 2HG MET 1 HG1 MET 1 -7.552 -22.683 -4.797 9 1HE MET 1 HE1 MET 1 -6.423 -24.479 -3.154 10 2HE MET 1 HE2 MET 1 -6.532 -25.694 -4.426 11 3HE MET 1 HE3 MET 1 -7.135 -26.055 -2.810 12 HA PRO 2 HA PRO 2 -14.176 -22.633 -7.847 13 1HB PRO 2 HB2 PRO 2 -15.846 -22.992 -5.765 14 2HB PRO 2 HB1 PRO 2 -15.310 -24.337 -6.778 15 1HG PRO 2 HG2 PRO 2 -14.308 -23.476 -4.091 16 2HG PRO 2 HG1 PRO 2 -14.647 -25.111 -4.688 17 1HD PRO 2 HD2 PRO 2 -12.140 -24.046 -4.579 18 2HD PRO 2 HD1 PRO 2 -12.628 -25.263 -5.773 19 H ILE 3 HN ILE 3 -12.316 -20.762 -6.970 20 HA ILE 3 HA ILE 3 -13.914 -18.917 -5.317 21 HB ILE 3 HB ILE 3 -10.910 -19.191 -5.491 22 1HG1 ILE 3 HG12 ILE 3 -11.949 -20.860 -4.055 23 2HG1 ILE 3 HG11 ILE 3 -11.083 -19.683 -3.073 24 1HG2 ILE 3 HG21 ILE 3 -10.813 -17.382 -3.822 25 2HG2 ILE 3 HG22 ILE 3 -12.549 -17.136 -4.018 26 3HG2 ILE 3 HG23 ILE 3 -11.458 -16.844 -5.373 27 1HD1 ILE 3 HD11 ILE 3 -14.060 -19.739 -3.535 28 2HD1 ILE 3 HD12 ILE 3 -13.188 -18.577 -2.534 29 3HD1 ILE 3 HD13 ILE 3 -13.222 -20.281 -2.080 30 H VAL 4 HN VAL 4 -14.594 -17.165 -6.349 31 HA VAL 4 HA VAL 4 -13.042 -16.201 -8.653 32 HB VAL 4 HB VAL 4 -15.055 -14.893 -9.271 33 1HG1 VAL 4 HG11 VAL 4 -15.505 -17.853 -8.942 34 2HG1 VAL 4 HG12 VAL 4 -14.670 -17.064 -10.280 35 3HG1 VAL 4 HG13 VAL 4 -16.397 -16.800 -10.038 36 1HG2 VAL 4 HG21 VAL 4 -16.358 -16.396 -7.006 37 2HG2 VAL 4 HG22 VAL 4 -17.203 -15.412 -8.199 38 3HG2 VAL 4 HG23 VAL 4 -16.073 -14.658 -7.075 39 H SER 5 HN SER 5 -14.222 -15.409 -5.491 40 HA SER 5 HA SER 5 -12.392 -13.160 -5.410 41 1HB SER 5 HB2 SER 5 -15.347 -12.858 -4.832 42 2HB SER 5 HB1 SER 5 -14.125 -11.662 -4.398 43 HG SER 5 HG SER 5 -13.606 -12.014 -6.842 44 H LYS 6 HN LYS 6 -14.719 -15.211 -3.721 45 HA LYS 6 HA LYS 6 -14.633 -16.276 -1.724 46 1HB LYS 6 HB2 LYS 6 -12.243 -16.687 -2.171 47 2HB LYS 6 HB1 LYS 6 -11.845 -15.141 -1.437 48 1HG LYS 6 HG2 LYS 6 -12.696 -15.924 0.706 49 2HG LYS 6 HG1 LYS 6 -13.146 -17.464 -0.029 50 1HD LYS 6 HD2 LYS 6 -10.770 -17.847 -0.594 51 2HD LYS 6 HD1 LYS 6 -10.353 -16.349 0.238 52 1HE LYS 6 HE2 LYS 6 -9.964 -18.288 1.668 53 2HE LYS 6 HE1 LYS 6 -11.233 -17.258 2.329 54 1HZ LYS 6 HZ1 LYS 6 -12.893 -18.767 1.497 55 2HZ LYS 6 HZ2 LYS 6 -11.776 -19.642 2.427 56 3HZ LYS 6 HZ3 LYS 6 -11.713 -19.721 0.738 57 H TYR 7 HN TYR 7 -12.911 -13.188 -1.270 58 HA TYR 7 HA TYR 7 -14.347 -12.719 1.196 59 1HB TYR 7 HB2 TYR 7 -12.987 -10.451 0.924 60 2HB TYR 7 HB1 TYR 7 -12.223 -11.932 1.488 61 HD1 TYR 7 HD1 TYR 7 -12.777 -9.882 -1.584 62 HD2 TYR 7 HD2 TYR 7 -10.401 -12.832 0.357 63 HE1 TYR 7 HE1 TYR 7 -11.134 -9.762 -3.416 64 HE2 TYR 7 HE2 TYR 7 -8.759 -12.719 -1.461 65 HH TYR 7 HH TYR 7 -8.831 -10.273 -3.875 66 H SER 8 HN SER 8 -15.788 -11.095 1.604 67 HA SER 8 HA SER 8 -17.397 -10.269 -0.625 68 1HB SER 8 HB2 SER 8 -18.655 -9.114 1.372 69 2HB SER 8 HB1 SER 8 -18.691 -10.871 1.214 70 HG SER 8 HG SER 8 -17.956 -9.593 3.320 71 H ASN 9 HN ASN 9 -17.701 -8.194 -1.387 72 HA ASN 9 HA ASN 9 -15.585 -6.363 -1.259 73 1HB ASN 9 HB2 ASN 9 -18.420 -6.165 -2.218 74 2HB ASN 9 HB1 ASN 9 -17.415 -4.722 -2.151 75 1HD2 ASN 9 HD21 ASN 9 -17.471 -4.489 -4.377 76 2HD2 ASN 9 HD22 ASN 9 -16.559 -5.515 -5.433 77 H GLU 10 HN GLU 10 -18.588 -6.562 0.541 78 HA GLU 10 HA GLU 10 -18.565 -4.197 1.960 79 1HB GLU 10 HB2 GLU 10 -20.327 -5.934 2.100 80 2HB GLU 10 HB1 GLU 10 -19.229 -6.952 3.021 81 1HG GLU 10 HG2 GLU 10 -20.694 -5.939 4.567 82 2HG GLU 10 HG1 GLU 10 -19.135 -5.132 4.737 83 H ARG 11 HN ARG 11 -16.900 -7.231 2.742 84 HA ARG 11 HA ARG 11 -15.623 -6.273 5.077 85 1HB ARG 11 HB2 ARG 11 -15.989 -8.688 4.472 86 2HB ARG 11 HB1 ARG 11 -14.707 -8.522 3.281 87 1HG ARG 11 HG2 ARG 11 -13.121 -7.982 5.049 88 2HG ARG 11 HG1 ARG 11 -14.406 -8.129 6.250 89 1HD ARG 11 HD2 ARG 11 -14.738 -10.485 5.483 90 2HD ARG 11 HD1 ARG 11 -13.304 -10.299 4.476 91 HE ARG 11 HE ARG 11 -12.812 -9.629 7.222 92 1HH1 ARG 11 HH11 ARG 11 -13.087 -12.312 4.968 93 2HH1 ARG 11 HH12 ARG 11 -12.054 -13.357 5.903 94 1HH2 ARG 11 HH21 ARG 11 -11.532 -11.021 8.464 95 2HH2 ARG 11 HH22 ARG 11 -11.202 -12.635 7.910 96 H VAL 12 HN VAL 12 -14.659 -6.482 1.682 97 HA VAL 12 HA VAL 12 -11.991 -5.725 1.879 98 HB VAL 12 HB VAL 12 -13.942 -4.974 -0.309 99 1HG1 VAL 12 HG11 VAL 12 -11.935 -4.810 -1.731 100 2HG1 VAL 12 HG12 VAL 12 -10.928 -5.054 -0.303 101 3HG1 VAL 12 HG13 VAL 12 -11.941 -3.617 -0.433 102 1HG2 VAL 12 HG21 VAL 12 -13.847 -7.384 0.059 103 2HG2 VAL 12 HG22 VAL 12 -12.089 -7.342 -0.074 104 3HG2 VAL 12 HG23 VAL 12 -13.089 -6.949 -1.473 105 H GLU 13 HN GLU 13 -14.848 -3.650 1.447 106 HA GLU 13 HA GLU 13 -13.473 -1.193 1.561 107 1HB GLU 13 HB2 GLU 13 -16.343 -1.849 2.250 108 2HB GLU 13 HB1 GLU 13 -15.707 -0.222 2.050 109 1HG GLU 13 HG2 GLU 13 -15.188 -0.697 -0.280 110 2HG GLU 13 HG1 GLU 13 -15.783 -2.345 -0.084 111 H LYS 14 HN LYS 14 -14.952 -3.208 4.044 112 HA LYS 14 HA LYS 14 -14.704 -1.395 6.186 113 1HB LYS 14 HB2 LYS 14 -16.151 -3.408 6.191 114 2HB LYS 14 HB1 LYS 14 -14.714 -4.416 6.276 115 1HG LYS 14 HG2 LYS 14 -14.172 -3.565 8.448 116 2HG LYS 14 HG1 LYS 14 -15.472 -2.374 8.352 117 1HD LYS 14 HD2 LYS 14 -17.108 -4.220 8.231 118 2HD LYS 14 HD1 LYS 14 -15.786 -5.373 8.423 119 1HE LYS 14 HE2 LYS 14 -15.284 -4.532 10.605 120 2HE LYS 14 HE1 LYS 14 -16.420 -3.199 10.406 121 1HZ LYS 14 HZ1 LYS 14 -17.362 -4.940 11.771 122 2HZ LYS 14 HZ2 LYS 14 -17.130 -6.080 10.534 123 3HZ LYS 14 HZ3 LYS 14 -18.227 -4.805 10.316 124 H ILE 15 HN ILE 15 -12.513 -3.851 4.897 125 HA ILE 15 HA ILE 15 -10.512 -3.600 6.880 126 HB ILE 15 HB ILE 15 -10.245 -4.427 3.982 127 1HG1 ILE 15 HG12 ILE 15 -10.388 -6.116 6.490 128 2HG1 ILE 15 HG11 ILE 15 -11.752 -5.818 5.416 129 1HG2 ILE 15 HG21 ILE 15 -8.098 -3.709 4.862 130 2HG2 ILE 15 HG22 ILE 15 -8.123 -5.462 4.669 131 3HG2 ILE 15 HG23 ILE 15 -8.305 -4.748 6.271 132 1HD1 ILE 15 HD11 ILE 15 -10.548 -6.911 3.595 133 2HD1 ILE 15 HD12 ILE 15 -10.756 -7.980 4.982 134 3HD1 ILE 15 HD13 ILE 15 -9.193 -7.220 4.682 135 H ILE 16 HN ILE 16 -10.932 -2.038 3.709 136 HA ILE 16 HA ILE 16 -8.672 -0.379 3.794 137 HB ILE 16 HB ILE 16 -11.357 0.228 2.532 138 1HG1 ILE 16 HG12 ILE 16 -8.889 -1.041 1.322 139 2HG1 ILE 16 HG11 ILE 16 -10.349 -1.912 1.781 140 1HG2 ILE 16 HG21 ILE 16 -8.627 1.391 1.989 141 2HG2 ILE 16 HG22 ILE 16 -9.987 2.221 2.745 142 3HG2 ILE 16 HG23 ILE 16 -10.086 1.725 1.056 143 1HD1 ILE 16 HD11 ILE 16 -10.297 -1.512 -0.602 144 2HD1 ILE 16 HD12 ILE 16 -10.145 0.223 -0.327 145 3HD1 ILE 16 HD13 ILE 16 -11.621 -0.619 0.144 146 H GLN 17 HN GLN 17 -11.954 0.083 4.997 147 HA GLN 17 HA GLN 17 -11.745 2.682 5.966 148 1HB GLN 17 HB2 GLN 17 -13.867 1.528 5.830 149 2HB GLN 17 HB1 GLN 17 -13.337 0.329 6.999 150 1HG GLN 17 HG2 GLN 17 -14.871 1.913 8.000 151 2HG GLN 17 HG1 GLN 17 -13.273 2.037 8.733 152 1HE2 GLN 17 HE21 GLN 17 -12.076 3.886 8.463 153 2HE2 GLN 17 HE22 GLN 17 -12.740 5.341 7.795 154 H ASP 18 HN ASP 18 -11.051 -0.394 7.627 155 HA ASP 18 HA ASP 18 -10.355 0.779 10.097 156 1HB ASP 18 HB2 ASP 18 -10.917 -1.679 9.605 157 2HB ASP 18 HB1 ASP 18 -9.236 -1.837 9.104 158 H LEU 19 HN LEU 19 -8.445 -0.125 7.262 159 HA LEU 19 HA LEU 19 -5.900 0.486 8.261 160 1HB LEU 19 HB2 LEU 19 -6.988 0.771 5.458 161 2HB LEU 19 HB1 LEU 19 -5.291 0.906 5.875 162 HG LEU 19 HG LEU 19 -6.965 -1.577 6.278 163 1HD1 LEU 19 HD11 LEU 19 -4.922 -0.923 4.159 164 2HD1 LEU 19 HD12 LEU 19 -6.659 -1.095 3.911 165 3HD1 LEU 19 HD13 LEU 19 -5.694 -2.490 4.396 166 1HD2 LEU 19 HD21 LEU 19 -5.125 -1.393 7.866 167 2HD2 LEU 19 HD22 LEU 19 -3.996 -1.104 6.541 168 3HD2 LEU 19 HD23 LEU 19 -4.807 -2.663 6.683 169 H LEU 20 HN LEU 20 -8.335 2.537 6.724 170 HA LEU 20 HA LEU 20 -6.847 4.928 6.737 171 1HB LEU 20 HB2 LEU 20 -9.835 4.504 6.876 172 2HB LEU 20 HB1 LEU 20 -9.064 6.052 6.592 173 HG LEU 20 HG LEU 20 -8.882 3.645 4.778 174 1HD1 LEU 20 HD11 LEU 20 -10.256 4.958 3.253 175 2HD1 LEU 20 HD12 LEU 20 -10.364 6.251 4.448 176 3HD1 LEU 20 HD13 LEU 20 -11.097 4.681 4.778 177 1HD2 LEU 20 HD21 LEU 20 -7.823 6.451 4.450 178 2HD2 LEU 20 HD22 LEU 20 -7.790 5.191 3.216 179 3HD2 LEU 20 HD23 LEU 20 -6.856 4.997 4.700 180 H ASP 21 HN ASP 21 -9.092 3.518 9.102 181 HA ASP 21 HA ASP 21 -9.061 5.573 10.988 182 1HB ASP 21 HB2 ASP 21 -9.410 2.596 11.261 183 2HB ASP 21 HB1 ASP 21 -9.422 3.643 12.675 184 H VAL 22 HN VAL 22 -6.825 2.870 10.541 185 HA VAL 22 HA VAL 22 -5.148 3.342 12.724 186 HB VAL 22 HB VAL 22 -4.455 2.268 9.982 187 1HG1 VAL 22 HG11 VAL 22 -2.425 1.359 11.014 188 2HG1 VAL 22 HG12 VAL 22 -2.814 2.200 12.515 189 3HG1 VAL 22 HG13 VAL 22 -2.441 3.122 11.058 190 1HG2 VAL 22 HG21 VAL 22 -6.068 0.911 11.187 191 2HG2 VAL 22 HG22 VAL 22 -5.014 0.885 12.602 192 3HG2 VAL 22 HG23 VAL 22 -4.508 0.089 11.112 193 H LEU 23 HN LEU 23 -4.881 4.543 9.385 194 HA LEU 23 HA LEU 23 -2.555 6.065 9.800 195 1HB LEU 23 HB2 LEU 23 -4.751 6.439 7.763 196 2HB LEU 23 HB1 LEU 23 -3.180 7.215 7.696 197 HG LEU 23 HG LEU 23 -3.691 4.243 7.526 198 1HD1 LEU 23 HD11 LEU 23 -2.843 6.240 5.432 199 2HD1 LEU 23 HD12 LEU 23 -4.397 5.409 5.521 200 3HD1 LEU 23 HD13 LEU 23 -2.922 4.493 5.210 201 1HD2 LEU 23 HD21 LEU 23 -1.315 4.048 7.028 202 2HD2 LEU 23 HD22 LEU 23 -1.559 4.762 8.622 203 3HD2 LEU 23 HD23 LEU 23 -1.109 5.785 7.258 204 H VAL 24 HN VAL 24 -5.971 6.905 10.105 205 HA VAL 24 HA VAL 24 -5.562 9.691 10.418 206 HB VAL 24 HB VAL 24 -7.893 7.979 11.295 207 1HG1 VAL 24 HG11 VAL 24 -9.170 10.064 11.405 208 2HG1 VAL 24 HG12 VAL 24 -7.706 10.982 11.054 209 3HG1 VAL 24 HG13 VAL 24 -7.837 10.069 12.558 210 1HG2 VAL 24 HG21 VAL 24 -8.978 8.864 9.280 211 2HG2 VAL 24 HG22 VAL 24 -7.526 7.940 8.893 212 3HG2 VAL 24 HG23 VAL 24 -7.487 9.704 8.852 213 H LYS 25 HN LYS 25 -5.829 7.030 12.766 214 HA LYS 25 HA LYS 25 -5.883 8.774 15.019 215 1HB LYS 25 HB2 LYS 25 -5.903 6.869 16.357 216 2HB LYS 25 HB1 LYS 25 -6.683 6.332 14.879 217 1HG LYS 25 HG2 LYS 25 -4.455 5.406 14.168 218 2HG LYS 25 HG1 LYS 25 -3.885 5.748 15.804 219 1HD LYS 25 HD2 LYS 25 -5.860 4.375 16.621 220 2HD LYS 25 HD1 LYS 25 -6.069 3.858 14.948 221 1HE LYS 25 HE2 LYS 25 -3.762 3.332 16.797 222 2HE LYS 25 HE1 LYS 25 -4.788 2.169 15.959 223 1HZ LYS 25 HZ1 LYS 25 -2.865 2.142 14.721 224 2HZ LYS 25 HZ2 LYS 25 -2.588 3.812 14.898 225 3HZ LYS 25 HZ3 LYS 25 -3.806 3.259 13.861 226 H GLU 26 HN GLU 26 -3.368 7.575 13.020 227 HA GLU 26 HA GLU 26 -1.274 8.162 14.953 228 1HB GLU 26 HB2 GLU 26 -1.028 7.471 12.019 229 2HB GLU 26 HB1 GLU 26 0.278 7.506 13.192 230 1HG GLU 26 HG2 GLU 26 -2.051 5.603 13.184 231 2HG GLU 26 HG1 GLU 26 -0.403 5.236 12.682 232 H GLU 27 HN GLU 27 -3.199 9.883 12.858 233 HA GLU 27 HA GLU 27 -3.052 11.746 11.571 234 1HB GLU 27 HB2 GLU 27 -1.163 12.557 13.784 235 2HB GLU 27 HB1 GLU 27 -1.847 13.659 12.597 236 1HG GLU 27 HG2 GLU 27 -4.122 12.858 13.431 237 2HG GLU 27 HG1 GLU 27 -3.238 12.179 14.798 238 H VAL 28 HN VAL 28 -1.877 10.160 10.104 239 HA VAL 28 HA VAL 28 0.953 10.593 9.789 240 HB VAL 28 HB VAL 28 0.796 9.092 7.861 241 1HG1 VAL 28 HG11 VAL 28 -0.704 8.096 10.281 242 2HG1 VAL 28 HG12 VAL 28 1.047 8.109 10.066 243 3HG1 VAL 28 HG13 VAL 28 0.040 7.080 9.046 244 1HG2 VAL 28 HG21 VAL 28 -1.339 8.035 7.269 245 2HG2 VAL 28 HG22 VAL 28 -1.369 9.776 6.984 246 3HG2 VAL 28 HG23 VAL 28 -2.173 9.099 8.401 247 H THR 29 HN THR 29 1.986 11.531 8.047 248 HA THR 29 HA THR 29 0.445 13.506 6.536 249 HB THR 29 HB THR 29 2.744 14.301 5.853 250 HG1 THR 29 HG1 THR 29 4.388 13.424 7.449 251 1HG2 THR 29 HG21 THR 29 1.547 15.356 7.710 252 2HG2 THR 29 HG22 THR 29 3.283 15.308 8.023 253 3HG2 THR 29 HG23 THR 29 2.210 14.159 8.823 254 HA PRO 30 HA PRO 30 0.727 11.376 2.610 255 1HB PRO 30 HB2 PRO 30 2.307 13.133 1.116 256 2HB PRO 30 HB1 PRO 30 0.547 13.162 1.234 257 1HG PRO 30 HG2 PRO 30 2.571 14.803 2.672 258 2HG PRO 30 HG1 PRO 30 0.953 15.253 2.105 259 1HD PRO 30 HD2 PRO 30 1.450 14.772 4.697 260 2HD PRO 30 HD1 PRO 30 -0.090 14.306 3.946 261 H ASP 31 HN ASP 31 3.778 12.961 3.528 262 HA ASP 31 HA ASP 31 5.588 11.260 2.271 263 1HB ASP 31 HB2 ASP 31 5.961 12.525 4.998 264 2HB ASP 31 HB1 ASP 31 7.229 12.013 3.897 265 H LEU 32 HN LEU 32 4.313 11.126 5.570 266 HA LEU 32 HA LEU 32 5.719 8.795 6.320 267 1HB LEU 32 HB2 LEU 32 4.866 10.486 7.899 268 2HB LEU 32 HB1 LEU 32 3.226 10.004 7.516 269 HG LEU 32 HG LEU 32 3.668 7.771 8.462 270 1HD1 LEU 32 HD11 LEU 32 6.336 8.942 9.243 271 2HD1 LEU 32 HD12 LEU 32 6.077 7.677 8.042 272 3HD1 LEU 32 HD13 LEU 32 5.707 7.371 9.739 273 1HD2 LEU 32 HD21 LEU 32 4.325 10.066 10.303 274 2HD2 LEU 32 HD22 LEU 32 3.754 8.474 10.801 275 3HD2 LEU 32 HD23 LEU 32 2.707 9.529 9.852 276 H ALA 33 HN ALA 33 2.442 9.349 5.110 277 HA ALA 33 HA ALA 33 1.429 6.777 5.616 278 1HB ALA 33 HB1 ALA 33 -0.323 7.326 4.020 279 2HB ALA 33 HB2 ALA 33 0.622 8.695 3.435 280 3HB ALA 33 HB3 ALA 33 0.004 8.693 5.086 281 H LEU 34 HN LEU 34 2.839 8.142 2.639 282 HA LEU 34 HA LEU 34 2.608 5.769 1.129 283 1HB LEU 34 HB2 LEU 34 4.530 8.077 0.807 284 2HB LEU 34 HB1 LEU 34 4.256 6.827 -0.391 285 HG LEU 34 HG LEU 34 2.217 8.842 0.562 286 1HD1 LEU 34 HD11 LEU 34 3.627 8.561 -2.089 287 2HD1 LEU 34 HD12 LEU 34 3.951 9.798 -0.873 288 3HD1 LEU 34 HD13 LEU 34 2.388 9.751 -1.687 289 1HD2 LEU 34 HD21 LEU 34 2.002 6.677 -1.528 290 2HD2 LEU 34 HD22 LEU 34 0.797 7.928 -1.219 291 3HD2 LEU 34 HD23 LEU 34 1.156 6.725 0.020 292 H MET 35 HN MET 35 5.196 7.045 3.165 293 HA MET 35 HA MET 35 7.152 5.141 2.468 294 1HB MET 35 HB2 MET 35 7.715 7.232 3.579 295 2HB MET 35 HB1 MET 35 6.823 6.737 5.011 296 1HG MET 35 HG2 MET 35 8.396 5.018 5.489 297 2HG MET 35 HG1 MET 35 9.210 5.255 3.943 298 1HE MET 35 HE1 MET 35 7.844 8.156 6.194 299 2HE MET 35 HE2 MET 35 9.219 8.479 7.249 300 3HE MET 35 HE3 MET 35 8.330 6.963 7.398 301 H CYS 36 HN CYS 36 4.759 5.179 5.103 302 HA CYS 36 HA CYS 36 5.607 2.696 6.204 303 1HB CYS 36 HB2 CYS 36 3.013 4.217 6.477 304 2HB CYS 36 HB1 CYS 36 3.403 2.763 7.392 305 HG CYS 36 HG CYS 36 5.144 3.826 9.069 306 H LEU 37 HN LEU 37 2.962 3.597 4.001 307 HA LEU 37 HA LEU 37 1.840 1.024 3.795 308 1HB LEU 37 HB2 LEU 37 1.780 3.375 1.909 309 2HB LEU 37 HB1 LEU 37 0.879 1.898 1.623 310 HG LEU 37 HG LEU 37 0.527 3.666 4.047 311 1HD1 LEU 37 HD11 LEU 37 -1.145 3.441 1.549 312 2HD1 LEU 37 HD12 LEU 37 -0.179 4.834 2.040 313 3HD1 LEU 37 HD13 LEU 37 -1.579 4.349 2.998 314 1HD2 LEU 37 HD21 LEU 37 -1.512 2.339 4.382 315 2HD2 LEU 37 HD22 LEU 37 -0.057 1.346 4.460 316 3HD2 LEU 37 HD23 LEU 37 -1.063 1.322 3.012 317 H GLY 38 HN GLY 38 4.400 2.619 1.959 318 1HA GLY 38 HA2 GLY 38 4.706 0.774 -0.102 319 2HA GLY 38 HA1 GLY 38 6.002 1.758 0.562 320 H ASN 39 HN ASN 39 6.201 0.764 3.119 321 HA ASN 39 HA ASN 39 7.700 -1.611 2.648 322 1HB ASN 39 HB2 ASN 39 6.979 -0.093 5.145 323 2HB ASN 39 HB1 ASN 39 7.847 -1.622 5.221 324 1HD2 ASN 39 HD21 ASN 39 8.005 1.727 4.277 325 2HD2 ASN 39 HD22 ASN 39 9.718 1.774 4.041 326 H ALA 40 HN ALA 40 4.536 -0.931 4.012 327 HA ALA 40 HA ALA 40 3.963 -3.511 4.983 328 1HB ALA 40 HB1 ALA 40 1.615 -2.829 4.888 329 2HB ALA 40 HB2 ALA 40 2.059 -1.432 3.908 330 3HB ALA 40 HB3 ALA 40 2.624 -1.555 5.574 331 H VAL 41 HN VAL 41 3.251 -1.981 1.847 332 HA VAL 41 HA VAL 41 2.022 -4.207 0.649 333 HB VAL 41 HB VAL 41 3.585 -1.984 -0.684 334 1HG1 VAL 41 HG11 VAL 41 2.311 -2.557 -2.695 335 2HG1 VAL 41 HG12 VAL 41 1.583 -3.919 -1.845 336 3HG1 VAL 41 HG13 VAL 41 3.318 -3.905 -2.163 337 1HG2 VAL 41 HG21 VAL 41 1.390 -0.971 -1.073 338 2HG2 VAL 41 HG22 VAL 41 1.723 -1.150 0.650 339 3HG2 VAL 41 HG23 VAL 41 0.628 -2.272 -0.158 340 H THR 42 HN THR 42 5.411 -3.153 0.700 341 HA THR 42 HA THR 42 6.484 -5.058 -1.018 342 HB THR 42 HB THR 42 7.781 -3.847 1.437 343 HG1 THR 42 HG1 THR 42 7.244 -2.201 0.045 344 1HG2 THR 42 HG21 THR 42 9.034 -5.157 -0.983 345 2HG2 THR 42 HG22 THR 42 9.003 -5.818 0.651 346 3HG2 THR 42 HG23 THR 42 9.907 -4.342 0.314 347 H ASN 43 HN ASN 43 5.801 -5.285 2.462 348 HA ASN 43 HA ASN 43 6.968 -7.855 2.803 349 1HB ASN 43 HB2 ASN 43 6.481 -6.255 4.671 350 2HB ASN 43 HB1 ASN 43 4.769 -6.613 4.470 351 1HD2 ASN 43 HD21 ASN 43 4.546 -7.478 6.515 352 2HD2 ASN 43 HD22 ASN 43 5.230 -8.997 6.969 353 H ILE 44 HN ILE 44 3.775 -6.745 1.861 354 HA ILE 44 HA ILE 44 2.477 -9.272 2.022 355 HB ILE 44 HB ILE 44 1.808 -6.851 0.337 356 1HG1 ILE 44 HG12 ILE 44 1.729 -6.390 2.727 357 2HG1 ILE 44 HG11 ILE 44 0.096 -6.442 2.072 358 1HG2 ILE 44 HG21 ILE 44 -0.421 -7.829 0.095 359 2HG2 ILE 44 HG22 ILE 44 0.117 -9.273 0.954 360 3HG2 ILE 44 HG23 ILE 44 0.817 -8.867 -0.614 361 1HD1 ILE 44 HD11 ILE 44 -0.192 -8.696 2.967 362 2HD1 ILE 44 HD12 ILE 44 0.222 -7.541 4.235 363 3HD1 ILE 44 HD13 ILE 44 1.448 -8.646 3.614 364 H ILE 45 HN ILE 45 4.057 -7.500 -0.604 365 HA ILE 45 HA ILE 45 3.656 -9.490 -2.594 366 HB ILE 45 HB ILE 45 5.796 -7.351 -2.482 367 1HG1 ILE 45 HG12 ILE 45 3.037 -7.284 -3.730 368 2HG1 ILE 45 HG11 ILE 45 3.507 -6.443 -2.257 369 1HG2 ILE 45 HG21 ILE 45 5.838 -7.567 -4.922 370 2HG2 ILE 45 HG22 ILE 45 4.666 -8.881 -4.823 371 3HG2 ILE 45 HG23 ILE 45 6.274 -9.082 -4.131 372 1HD1 ILE 45 HD11 ILE 45 4.624 -5.951 -5.005 373 2HD1 ILE 45 HD12 ILE 45 5.099 -5.108 -3.532 374 3HD1 ILE 45 HD13 ILE 45 3.458 -4.936 -4.156 375 H ALA 46 HN ALA 46 5.870 -9.157 0.012 376 HA ALA 46 HA ALA 46 7.871 -10.943 -0.982 377 1HB ALA 46 HB1 ALA 46 8.373 -9.275 0.742 378 2HB ALA 46 HB2 ALA 46 8.758 -10.910 1.285 379 3HB ALA 46 HB3 ALA 46 7.295 -10.110 1.861 380 H GLN 47 HN GLN 47 4.741 -11.385 0.163 381 HA GLN 47 HA GLN 47 5.219 -14.113 1.095 382 1HB GLN 47 HB2 GLN 47 2.645 -12.533 0.880 383 2HB GLN 47 HB1 GLN 47 2.812 -14.120 1.619 384 1HG GLN 47 HG2 GLN 47 4.195 -13.227 3.360 385 2HG GLN 47 HG1 GLN 47 4.237 -11.651 2.573 386 1HE2 GLN 47 HE21 GLN 47 3.382 -10.596 4.333 387 2HE2 GLN 47 HE22 GLN 47 1.731 -10.762 4.815 388 H VAL 48 HN VAL 48 4.802 -12.531 -1.760 389 HA VAL 48 HA VAL 48 3.213 -14.616 -3.059 390 HB VAL 48 HB VAL 48 4.278 -12.034 -4.225 391 1HG1 VAL 48 HG11 VAL 48 2.613 -12.408 -5.982 392 2HG1 VAL 48 HG12 VAL 48 2.175 -13.944 -5.234 393 3HG1 VAL 48 HG13 VAL 48 3.788 -13.721 -5.909 394 1HG2 VAL 48 HG21 VAL 48 2.743 -11.549 -2.405 395 2HG2 VAL 48 HG22 VAL 48 1.545 -12.643 -3.099 396 3HG2 VAL 48 HG23 VAL 48 1.994 -11.168 -3.956 397 HA PRO 49 HA PRO 49 6.894 -16.799 -4.303 398 1HB PRO 49 HB2 PRO 49 5.142 -17.545 -6.599 399 2HB PRO 49 HB1 PRO 49 6.102 -18.577 -5.532 400 1HG PRO 49 HG2 PRO 49 3.460 -18.422 -5.250 401 2HG PRO 49 HG1 PRO 49 4.522 -18.514 -3.833 402 1HD PRO 49 HD2 PRO 49 3.072 -16.169 -4.969 403 2HD PRO 49 HD1 PRO 49 3.414 -16.572 -3.275 404 H GLU 50 HN GLU 50 8.590 -16.236 -5.483 405 HA GLU 50 HA GLU 50 8.787 -13.989 -7.056 406 1HB GLU 50 HB2 GLU 50 10.488 -16.466 -6.902 407 2HB GLU 50 HB1 GLU 50 10.941 -15.076 -7.884 408 1HG GLU 50 HG2 GLU 50 11.400 -13.773 -6.085 409 2HG GLU 50 HG1 GLU 50 10.210 -14.575 -5.067 410 H SER 51 HN SER 51 7.665 -17.116 -8.025 411 HA SER 51 HA SER 51 8.123 -16.916 -10.794 412 1HB SER 51 HB2 SER 51 7.522 -19.019 -9.626 413 2HB SER 51 HB1 SER 51 5.893 -18.394 -9.374 414 HG SER 51 HG SER 51 7.035 -18.569 -11.959 415 H LYS 52 HN LYS 52 5.855 -15.304 -8.754 416 HA LYS 52 HA LYS 52 4.689 -14.042 -11.134 417 1HB LYS 52 HB2 LYS 52 2.432 -14.110 -10.145 418 2HB LYS 52 HB1 LYS 52 3.057 -15.723 -10.460 419 1HG LYS 52 HG2 LYS 52 3.524 -16.069 -8.146 420 2HG LYS 52 HG1 LYS 52 3.157 -14.386 -7.767 421 1HD LYS 52 HD2 LYS 52 1.305 -15.807 -7.122 422 2HD LYS 52 HD1 LYS 52 0.823 -14.762 -8.458 423 1HE LYS 52 HE2 LYS 52 1.162 -16.601 -10.026 424 2HE LYS 52 HE1 LYS 52 1.683 -17.642 -8.701 425 1HZ LYS 52 HZ1 LYS 52 -0.601 -18.090 -9.219 426 2HZ LYS 52 HZ2 LYS 52 -1.020 -16.456 -9.058 427 3HZ LYS 52 HZ3 LYS 52 -0.534 -17.344 -7.699 428 H ARG 53 HN ARG 53 6.554 -13.465 -8.718 429 HA ARG 53 HA ARG 53 5.180 -11.587 -7.079 430 1HB ARG 53 HB2 ARG 53 7.269 -12.951 -6.501 431 2HB ARG 53 HB1 ARG 53 8.168 -11.752 -7.419 432 1HG ARG 53 HG2 ARG 53 7.264 -10.000 -5.918 433 2HG ARG 53 HG1 ARG 53 6.511 -11.271 -4.955 434 1HD ARG 53 HD2 ARG 53 9.450 -10.826 -5.430 435 2HD ARG 53 HD1 ARG 53 8.572 -10.662 -3.911 436 HE ARG 53 HE ARG 53 9.002 -13.226 -5.285 437 1HH1 ARG 53 HH11 ARG 53 8.571 -11.357 -2.390 438 2HH1 ARG 53 HH12 ARG 53 8.967 -12.666 -1.323 439 1HH2 ARG 53 HH21 ARG 53 9.574 -14.966 -3.863 440 2HH2 ARG 53 HH22 ARG 53 9.535 -14.701 -2.147 441 H VAL 54 HN VAL 54 7.249 -11.323 -9.923 442 HA VAL 54 HA VAL 54 7.416 -8.457 -9.787 443 HB VAL 54 HB VAL 54 7.997 -10.282 -12.133 444 1HG1 VAL 54 HG11 VAL 54 8.850 -7.443 -11.573 445 2HG1 VAL 54 HG12 VAL 54 7.705 -7.965 -12.808 446 3HG1 VAL 54 HG13 VAL 54 9.402 -8.430 -12.926 447 1HG2 VAL 54 HG21 VAL 54 9.843 -9.220 -9.995 448 2HG2 VAL 54 HG22 VAL 54 10.348 -10.115 -11.428 449 3HG2 VAL 54 HG23 VAL 54 9.346 -10.899 -10.205 450 H ALA 55 HN ALA 55 5.282 -10.804 -11.178 451 HA ALA 55 HA ALA 55 3.984 -9.075 -13.028 452 1HB ALA 55 HB1 ALA 55 2.289 -10.829 -13.171 453 2HB ALA 55 HB2 ALA 55 2.991 -11.629 -11.764 454 3HB ALA 55 HB3 ALA 55 3.915 -11.508 -13.262 455 H VAL 56 HN VAL 56 3.241 -10.132 -9.712 456 HA VAL 56 HA VAL 56 0.767 -8.749 -9.601 457 HB VAL 56 HB VAL 56 0.818 -9.143 -7.174 458 1HG1 VAL 56 HG11 VAL 56 0.825 -11.601 -7.284 459 2HG1 VAL 56 HG12 VAL 56 1.600 -11.512 -8.866 460 3HG1 VAL 56 HG13 VAL 56 -0.028 -10.868 -8.642 461 1HG2 VAL 56 HG21 VAL 56 2.650 -10.399 -6.155 462 2HG2 VAL 56 HG22 VAL 56 3.212 -8.846 -6.773 463 3HG2 VAL 56 HG23 VAL 56 3.552 -10.324 -7.671 464 H VAL 57 HN VAL 57 4.058 -7.848 -8.638 465 HA VAL 57 HA VAL 57 3.249 -5.447 -7.337 466 HB VAL 57 HB VAL 57 5.423 -6.532 -6.857 467 1HG1 VAL 57 HG11 VAL 57 6.255 -5.480 -9.555 468 2HG1 VAL 57 HG12 VAL 57 6.043 -7.179 -9.128 469 3HG1 VAL 57 HG13 VAL 57 7.315 -6.228 -8.360 470 1HG2 VAL 57 HG21 VAL 57 6.743 -4.486 -6.701 471 2HG2 VAL 57 HG22 VAL 57 5.059 -4.192 -6.267 472 3HG2 VAL 57 HG23 VAL 57 5.662 -3.693 -7.848 473 H ASP 58 HN ASP 58 4.052 -6.274 -10.644 474 HA ASP 58 HA ASP 58 4.320 -3.582 -11.555 475 1HB ASP 58 HB2 ASP 58 5.205 -5.652 -12.725 476 2HB ASP 58 HB1 ASP 58 3.550 -5.949 -13.249 477 H ASN 59 HN ASN 59 1.670 -5.940 -11.563 478 HA ASN 59 HA ASN 59 -0.198 -4.230 -12.836 479 1HB ASN 59 HB2 ASN 59 -0.459 -6.733 -11.202 480 2HB ASN 59 HB1 ASN 59 -1.895 -5.816 -11.657 481 1HD2 ASN 59 HD21 ASN 59 0.719 -7.795 -12.776 482 2HD2 ASN 59 HD22 ASN 59 0.124 -8.028 -14.388 483 H PHE 60 HN PHE 60 0.652 -4.792 -9.468 484 HA PHE 60 HA PHE 60 -1.294 -3.235 -8.207 485 1HB PHE 60 HB2 PHE 60 0.354 -4.656 -7.015 486 2HB PHE 60 HB1 PHE 60 1.629 -3.530 -7.475 487 HD1 PHE 60 HD1 PHE 60 -1.621 -3.620 -5.647 488 HD2 PHE 60 HD2 PHE 60 2.229 -1.856 -6.044 489 HE1 PHE 60 HE1 PHE 60 -2.008 -2.317 -3.597 490 HE2 PHE 60 HE2 PHE 60 1.847 -0.550 -3.998 491 HZ PHE 60 HZ PHE 60 -0.266 -0.781 -2.768 492 H THR 61 HN THR 61 1.962 -2.314 -9.253 493 HA THR 61 HA THR 61 1.712 0.411 -8.632 494 HB THR 61 HB THR 61 3.727 0.651 -10.160 495 HG1 THR 61 HG1 THR 61 3.701 -2.191 -10.191 496 1HG2 THR 61 HG21 THR 61 3.989 0.319 -7.776 497 2HG2 THR 61 HG22 THR 61 5.197 -0.642 -8.633 498 3HG2 THR 61 HG23 THR 61 3.765 -1.423 -7.962 499 H LYS 62 HN LYS 62 1.171 -1.386 -11.643 500 HA LYS 62 HA LYS 62 0.588 0.782 -13.314 501 1HB LYS 62 HB2 LYS 62 0.878 -1.479 -14.169 502 2HB LYS 62 HB1 LYS 62 -0.562 -2.016 -13.316 503 1HG LYS 62 HG2 LYS 62 -1.928 -0.530 -14.703 504 2HG LYS 62 HG1 LYS 62 -0.480 -0.020 -15.570 505 1HD LYS 62 HD2 LYS 62 -1.723 -1.724 -16.814 506 2HD LYS 62 HD1 LYS 62 -0.123 -2.302 -16.345 507 1HE LYS 62 HE2 LYS 62 -1.043 -3.609 -14.564 508 2HE LYS 62 HE1 LYS 62 -2.638 -2.893 -14.793 509 1HZ LYS 62 HZ1 LYS 62 -2.331 -5.170 -15.753 510 2HZ LYS 62 HZ2 LYS 62 -1.272 -4.492 -16.886 511 3HZ LYS 62 HZ3 LYS 62 -2.891 -4.004 -16.845 512 H ALA 63 HN ALA 63 -1.591 -1.136 -11.247 513 HA ALA 63 HA ALA 63 -3.960 0.226 -11.966 514 1HB ALA 63 HB1 ALA 63 -4.969 -0.854 -10.036 515 2HB ALA 63 HB2 ALA 63 -3.372 -1.279 -9.419 516 3HB ALA 63 HB3 ALA 63 -3.952 -1.995 -10.922 517 H LEU 64 HN LEU 64 -1.546 0.811 -9.474 518 HA LEU 64 HA LEU 64 -2.868 2.761 -7.982 519 1HB LEU 64 HB2 LEU 64 0.011 2.224 -8.585 520 2HB LEU 64 HB1 LEU 64 -0.432 3.678 -7.712 521 HG LEU 64 HG LEU 64 -1.129 0.881 -6.813 522 1HD1 LEU 64 HD11 LEU 64 1.277 1.216 -6.777 523 2HD1 LEU 64 HD12 LEU 64 0.630 1.213 -5.136 524 3HD1 LEU 64 HD13 LEU 64 1.070 2.737 -5.908 525 1HD2 LEU 64 HD21 LEU 64 -1.336 3.569 -5.458 526 2HD2 LEU 64 HD22 LEU 64 -1.629 2.014 -4.681 527 3HD2 LEU 64 HD23 LEU 64 -2.676 2.556 -5.990 528 H LYS 65 HN LYS 65 -0.603 3.271 -10.699 529 HA LYS 65 HA LYS 65 -1.006 6.064 -10.757 530 1HB LYS 65 HB2 LYS 65 0.070 4.192 -12.868 531 2HB LYS 65 HB1 LYS 65 0.103 5.947 -13.000 532 1HG LYS 65 HG2 LYS 65 1.436 6.031 -10.911 533 2HG LYS 65 HG1 LYS 65 1.481 4.269 -10.913 534 1HD LYS 65 HD2 LYS 65 2.530 6.004 -13.144 535 2HD LYS 65 HD1 LYS 65 3.523 5.330 -11.852 536 1HE LYS 65 HE2 LYS 65 2.867 3.070 -12.549 537 2HE LYS 65 HE1 LYS 65 1.911 3.760 -13.860 538 1HZ LYS 65 HZ1 LYS 65 4.041 3.040 -14.683 539 2HZ LYS 65 HZ2 LYS 65 4.858 3.977 -13.530 540 3HZ LYS 65 HZ3 LYS 65 3.964 4.733 -14.751 541 H GLN 66 HN GLN 66 -2.659 3.410 -12.364 542 HA GLN 66 HA GLN 66 -4.256 4.917 -14.120 543 1HB GLN 66 HB2 GLN 66 -4.642 2.284 -12.732 544 2HB GLN 66 HB1 GLN 66 -5.956 2.993 -13.659 545 1HG GLN 66 HG2 GLN 66 -4.487 3.046 -15.638 546 2HG GLN 66 HG1 GLN 66 -3.230 2.246 -14.692 547 1HE2 GLN 66 HE21 GLN 66 -3.254 0.492 -16.146 548 2HE2 GLN 66 HE22 GLN 66 -4.522 -0.686 -16.106 549 H SER 67 HN SER 67 -4.864 3.887 -10.778 550 HA SER 67 HA SER 67 -7.408 5.059 -10.548 551 1HB SER 67 HB2 SER 67 -5.400 4.446 -8.367 552 2HB SER 67 HB1 SER 67 -7.126 4.730 -8.134 553 HG SER 67 HG SER 67 -5.855 2.570 -9.456 554 H VAL 68 HN VAL 68 -4.180 6.298 -9.828 555 HA VAL 68 HA VAL 68 -4.958 8.649 -8.517 556 HB VAL 68 HB VAL 68 -2.481 8.069 -10.145 557 1HG1 VAL 68 HG11 VAL 68 -2.791 10.472 -10.031 558 2HG1 VAL 68 HG12 VAL 68 -1.464 9.981 -8.976 559 3HG1 VAL 68 HG13 VAL 68 -3.039 10.379 -8.287 560 1HG2 VAL 68 HG21 VAL 68 -2.727 6.634 -8.218 561 2HG2 VAL 68 HG22 VAL 68 -3.026 8.029 -7.181 562 3HG2 VAL 68 HG23 VAL 68 -1.441 7.807 -7.923 563 H LEU 69 HN LEU 69 -4.479 7.980 -11.969 564 HA LEU 69 HA LEU 69 -5.008 10.731 -12.668 565 1HB LEU 69 HB2 LEU 69 -4.367 8.255 -14.196 566 2HB LEU 69 HB1 LEU 69 -5.123 9.588 -15.046 567 HG LEU 69 HG LEU 69 -3.257 11.064 -14.319 568 1HD1 LEU 69 HD11 LEU 69 -1.223 10.086 -13.424 569 2HD1 LEU 69 HD12 LEU 69 -2.006 8.509 -13.331 570 3HD1 LEU 69 HD13 LEU 69 -2.575 9.836 -12.319 571 1HD2 LEU 69 HD21 LEU 69 -3.229 10.027 -16.515 572 2HD2 LEU 69 HD22 LEU 69 -2.454 8.592 -15.842 573 3HD2 LEU 69 HD23 LEU 69 -1.597 10.133 -15.853 574 H GLU 70 HN GLU 70 -6.819 7.754 -12.472 575 HA GLU 70 HA GLU 70 -9.075 8.678 -13.952 576 1HB GLU 70 HB2 GLU 70 -8.747 6.305 -13.748 577 2HB GLU 70 HB1 GLU 70 -8.745 6.405 -11.992 578 1HG GLU 70 HG2 GLU 70 -11.115 7.177 -12.108 579 2HG GLU 70 HG1 GLU 70 -11.076 6.857 -13.839 580 H HIS 71 HN HIS 71 -8.194 8.699 -10.555 581 HA HIS 71 HA HIS 71 -10.893 9.435 -9.790 582 1HB HIS 71 HB2 HIS 71 -9.402 7.764 -8.538 583 2HB HIS 71 HB1 HIS 71 -8.549 9.174 -7.921 584 HD1 HIS 71 HD1 HIS 71 -9.764 10.623 -6.175 585 HD2 HIS 71 HD2 HIS 71 -11.964 7.352 -7.479 586 HE1 HIS 71 HE1 HIS 71 -11.678 10.416 -4.562 587 HE2 HIS 71 HE2 HIS 71 -12.880 8.311 -5.254 588 H HIS 72 HN HIS 72 -10.511 11.509 -11.104 589 HA HIS 72 HA HIS 72 -9.439 13.610 -9.372 590 1HB HIS 72 HB2 HIS 72 -10.535 13.585 -12.174 591 2HB HIS 72 HB1 HIS 72 -10.436 15.094 -11.273 592 HD1 HIS 72 HD1 HIS 72 -8.391 12.695 -13.204 593 HD2 HIS 72 HD2 HIS 72 -7.787 15.936 -10.677 594 HE1 HIS 72 HE1 HIS 72 -5.999 13.385 -13.548 595 HE2 HIS 72 HE2 HIS 72 -5.756 15.517 -12.217 596 H HIS 73 HN HIS 73 -12.483 12.941 -11.090 597 HA HIS 73 HA HIS 73 -13.974 14.046 -8.835 598 1HB HIS 73 HB2 HIS 73 -15.991 13.607 -10.217 599 2HB HIS 73 HB1 HIS 73 -14.831 14.635 -11.042 600 HD1 HIS 73 HD1 HIS 73 -14.302 13.992 -13.370 601 HD2 HIS 73 HD2 HIS 73 -15.849 10.798 -11.206 602 HE1 HIS 73 HE1 HIS 73 -14.608 12.129 -15.032 603 HE2 HIS 73 HE2 HIS 73 -15.727 10.278 -13.741 604 H HIS 74 HN HIS 74 -15.962 12.565 -8.209 605 HA HIS 74 HA HIS 74 -14.967 10.352 -6.857 606 1HB HIS 74 HB2 HIS 74 -17.118 11.489 -6.344 607 2HB HIS 74 HB1 HIS 74 -17.823 10.764 -7.784 608 HD1 HIS 74 HD1 HIS 74 -19.399 9.004 -7.008 609 HD2 HIS 74 HD2 HIS 74 -15.859 9.023 -4.808 610 HE1 HIS 74 HE1 HIS 74 -19.575 7.073 -5.407 611 HE2 HIS 74 HE2 HIS 74 -17.361 7.006 -4.204 612 H HIS 75 HN HIS 75 -17.317 10.056 -9.489 613 HA HIS 75 HA HIS 75 -16.004 8.616 -11.378 614 1HB HIS 75 HB2 HIS 75 -15.814 6.995 -9.219 615 2HB HIS 75 HB1 HIS 75 -17.388 6.483 -9.816 616 HD1 HIS 75 HD1 HIS 75 -17.110 4.415 -11.140 617 HD2 HIS 75 HD2 HIS 75 -13.960 7.066 -11.731 618 HE1 HIS 75 HE1 HIS 75 -15.576 3.291 -12.790 619 HE2 HIS 75 HE2 HIS 75 -13.590 4.839 -12.998 620 H HIS 76 HN HIS 76 -18.824 8.245 -9.320 621 HA HIS 76 HA HIS 76 -20.508 9.440 -11.331 622 1HB HIS 76 HB2 HIS 76 -20.721 7.036 -11.868 623 2HB HIS 76 HB1 HIS 76 -21.148 6.700 -10.192 624 HD1 HIS 76 HD1 HIS 76 -23.567 6.900 -9.571 625 HD2 HIS 76 HD2 HIS 76 -22.725 8.611 -13.265 626 HE1 HIS 76 HE1 HIS 76 -25.797 7.512 -10.556 627 HE2 HIS 76 HE2 HIS 76 -25.237 8.772 -12.664 628 1H MET 1 HT1 MET 1 17.268 12.274 -4.803 629 2H MET 1 HT2 MET 1 17.045 12.979 -3.281 630 3H MET 1 HT3 MET 1 16.747 11.327 -3.500 631 HA MET 1 HA MET 1 19.047 10.908 -3.965 632 1HB MET 1 HB2 MET 1 19.523 13.152 -4.922 633 2HB MET 1 HB1 MET 1 19.477 13.828 -3.302 634 1HG MET 1 HG2 MET 1 21.385 12.430 -2.669 635 2HG MET 1 HG1 MET 1 21.432 11.769 -4.303 636 1HE MET 1 HE1 MET 1 24.009 12.441 -4.471 637 2HE MET 1 HE2 MET 1 23.951 13.123 -2.846 638 3HE MET 1 HE3 MET 1 24.615 14.071 -4.177 639 HA PRO 2 HA PRO 2 19.395 11.592 0.673 640 1HB PRO 2 HB2 PRO 2 18.298 13.832 1.842 641 2HB PRO 2 HB1 PRO 2 19.944 13.731 1.218 642 1HG PRO 2 HG2 PRO 2 17.746 15.284 0.212 643 2HG PRO 2 HG1 PRO 2 19.416 15.237 -0.370 644 1HD PRO 2 HD2 PRO 2 17.026 13.891 -1.428 645 2HD PRO 2 HD1 PRO 2 18.574 14.237 -2.223 646 H ILE 3 HN ILE 3 18.211 10.322 1.982 647 HA ILE 3 HA ILE 3 15.328 10.308 1.729 648 HB ILE 3 HB ILE 3 16.360 8.149 1.835 649 1HG1 ILE 3 HG12 ILE 3 15.218 7.151 3.811 650 2HG1 ILE 3 HG11 ILE 3 14.931 8.775 4.426 651 1HG2 ILE 3 HG21 ILE 3 17.636 7.352 3.760 652 2HG2 ILE 3 HG22 ILE 3 17.541 8.958 4.483 653 3HG2 ILE 3 HG23 ILE 3 18.419 8.722 2.972 654 1HD1 ILE 3 HD11 ILE 3 12.950 7.916 3.348 655 2HD1 ILE 3 HD12 ILE 3 13.854 7.622 1.863 656 3HD1 ILE 3 HD13 ILE 3 13.597 9.274 2.426 657 H VAL 4 HN VAL 4 14.222 11.777 2.776 658 HA VAL 4 HA VAL 4 15.251 13.335 4.874 659 HB VAL 4 HB VAL 4 12.913 14.207 5.107 660 1HG1 VAL 4 HG11 VAL 4 12.867 15.261 2.888 661 2HG1 VAL 4 HG12 VAL 4 14.049 14.082 2.315 662 3HG1 VAL 4 HG13 VAL 4 14.491 15.235 3.574 663 1HG2 VAL 4 HG21 VAL 4 12.344 12.242 2.886 664 2HG2 VAL 4 HG22 VAL 4 11.249 13.507 3.440 665 3HG2 VAL 4 HG23 VAL 4 11.687 12.185 4.521 666 H SER 5 HN SER 5 15.192 13.173 7.002 667 HA SER 5 HA SER 5 13.784 10.885 8.191 668 1HB SER 5 HB2 SER 5 16.020 12.574 9.345 669 2HB SER 5 HB1 SER 5 15.343 11.109 10.059 670 HG SER 5 HG SER 5 15.988 10.223 7.816 671 H LYS 6 HN LYS 6 11.985 12.627 7.654 672 HA LYS 6 HA LYS 6 11.757 14.899 9.337 673 1HB LYS 6 HB2 LYS 6 9.625 13.429 7.779 674 2HB LYS 6 HB1 LYS 6 9.436 15.015 8.506 675 1HG LYS 6 HG2 LYS 6 11.152 15.909 7.020 676 2HG LYS 6 HG1 LYS 6 11.354 14.312 6.293 677 1HD LYS 6 HD2 LYS 6 9.052 14.339 5.521 678 2HD LYS 6 HD1 LYS 6 8.779 15.889 6.318 679 1HE LYS 6 HE2 LYS 6 10.479 16.909 4.848 680 2HE LYS 6 HE1 LYS 6 10.675 15.359 4.029 681 1HZ LYS 6 HZ1 LYS 6 8.155 16.934 4.150 682 2HZ LYS 6 HZ2 LYS 6 8.361 15.462 3.334 683 3HZ LYS 6 HZ3 LYS 6 9.193 16.847 2.813 684 H TYR 7 HN TYR 7 10.995 11.559 9.807 685 HA TYR 7 HA TYR 7 9.435 12.240 12.207 686 1HB TYR 7 HB2 TYR 7 8.755 9.871 10.471 687 2HB TYR 7 HB1 TYR 7 7.765 10.646 11.705 688 HD1 TYR 7 HD2 TYR 7 6.934 13.034 11.229 689 HD2 TYR 7 HD1 TYR 7 8.542 10.478 8.227 690 HE1 TYR 7 HE2 TYR 7 5.900 14.429 9.488 691 HE2 TYR 7 HE1 TYR 7 7.517 11.868 6.483 692 HH TYR 7 HH TYR 7 5.740 13.460 6.197 693 H SER 8 HN SER 8 9.323 10.446 13.777 694 HA SER 8 HA SER 8 11.894 9.321 14.236 695 1HB SER 8 HB2 SER 8 9.314 8.598 15.634 696 2HB SER 8 HB1 SER 8 10.954 8.493 16.275 697 HG SER 8 HG SER 8 10.819 10.948 15.674 698 H ASN 9 HN ASN 9 12.666 7.350 13.707 699 HA ASN 9 HA ASN 9 11.374 5.844 11.712 700 1HB ASN 9 HB2 ASN 9 13.835 5.942 12.011 701 2HB ASN 9 HB1 ASN 9 13.676 4.978 13.476 702 1HD2 ASN 9 HD21 ASN 9 13.240 2.797 13.321 703 2HD2 ASN 9 HD22 ASN 9 13.293 1.928 11.816 704 H GLU 10 HN GLU 10 11.644 5.361 15.199 705 HA GLU 10 HA GLU 10 10.577 2.792 15.404 706 1HB GLU 10 HB2 GLU 10 9.730 4.873 17.383 707 2HB GLU 10 HB1 GLU 10 10.213 3.209 17.661 708 1HG GLU 10 HG2 GLU 10 11.960 4.409 18.558 709 2HG GLU 10 HG1 GLU 10 12.557 4.008 16.948 710 H ARG 11 HN ARG 11 8.912 5.910 15.501 711 HA ARG 11 HA ARG 11 6.284 4.989 15.593 712 1HB ARG 11 HB2 ARG 11 6.993 7.320 16.009 713 2HB ARG 11 HB1 ARG 11 7.352 7.507 14.300 714 1HG ARG 11 HG2 ARG 11 5.039 7.303 13.724 715 2HG ARG 11 HG1 ARG 11 4.614 6.895 15.391 716 1HD ARG 11 HD2 ARG 11 5.402 9.104 16.116 717 2HD ARG 11 HD1 ARG 11 5.792 9.507 14.447 718 HE ARG 11 HE ARG 11 3.377 9.342 13.981 719 1HH1 ARG 11 HH11 ARG 11 4.396 9.711 17.324 720 2HH1 ARG 11 HH12 ARG 11 2.944 10.552 17.792 721 1HH2 ARG 11 HH21 ARG 11 1.465 10.422 14.622 722 2HH2 ARG 11 HH22 ARG 11 1.294 10.943 16.272 723 H VAL 12 HN VAL 12 8.352 5.708 12.805 724 HA VAL 12 HA VAL 12 6.468 5.343 10.777 725 HB VAL 12 HB VAL 12 9.430 4.735 10.704 726 1HG1 VAL 12 HG11 VAL 12 9.229 5.004 8.270 727 2HG1 VAL 12 HG12 VAL 12 7.479 5.144 8.439 728 3HG1 VAL 12 HG13 VAL 12 8.288 3.636 8.866 729 1HG2 VAL 12 HG21 VAL 12 7.900 7.215 9.917 730 2HG2 VAL 12 HG22 VAL 12 9.629 6.957 9.681 731 3HG2 VAL 12 HG23 VAL 12 8.965 7.044 11.313 732 H GLU 13 HN GLU 13 8.765 2.955 12.118 733 HA GLU 13 HA GLU 13 7.731 0.833 10.533 734 1HB GLU 13 HB2 GLU 13 9.576 0.896 12.905 735 2HB GLU 13 HB1 GLU 13 9.064 -0.616 12.168 736 1HG GLU 13 HG2 GLU 13 9.986 0.179 10.012 737 2HG GLU 13 HG1 GLU 13 10.584 1.615 10.840 738 H LYS 14 HN LYS 14 6.890 2.118 13.658 739 HA LYS 14 HA LYS 14 5.407 -0.114 14.577 740 1HB LYS 14 HB2 LYS 14 6.109 1.797 16.030 741 2HB LYS 14 HB1 LYS 14 4.895 2.794 15.234 742 1HG LYS 14 HG2 LYS 14 3.187 1.102 15.955 743 2HG LYS 14 HG1 LYS 14 4.446 0.364 16.943 744 1HD LYS 14 HD2 LYS 14 4.725 2.489 18.141 745 2HD LYS 14 HD1 LYS 14 3.431 3.195 17.168 746 1HE LYS 14 HE2 LYS 14 3.231 0.933 19.148 747 2HE LYS 14 HE1 LYS 14 2.474 2.522 19.251 748 1HZ LYS 14 HZ1 LYS 14 1.839 0.376 17.291 749 2HZ LYS 14 HZ2 LYS 14 1.178 1.940 17.251 750 3HZ LYS 14 HZ3 LYS 14 0.852 0.916 18.561 751 H ILE 15 HN ILE 15 4.488 2.793 12.753 752 HA ILE 15 HA ILE 15 1.740 2.227 12.554 753 HB ILE 15 HB ILE 15 3.511 3.747 10.627 754 1HG1 ILE 15 HG12 ILE 15 1.709 4.728 12.855 755 2HG1 ILE 15 HG11 ILE 15 3.464 4.626 12.948 756 1HG2 ILE 15 HG21 ILE 15 1.410 3.022 9.580 757 2HG2 ILE 15 HG22 ILE 15 1.471 4.772 9.790 758 3HG2 ILE 15 HG23 ILE 15 0.504 3.785 10.887 759 1HD1 ILE 15 HD11 ILE 15 1.896 6.359 11.053 760 2HD1 ILE 15 HD12 ILE 15 3.654 6.262 11.150 761 3HD1 ILE 15 HD13 ILE 15 2.729 6.896 12.511 762 H ILE 16 HN ILE 16 4.483 1.307 10.515 763 HA ILE 16 HA ILE 16 3.108 -0.051 8.496 764 HB ILE 16 HB ILE 16 5.785 -0.808 9.689 765 1HG1 ILE 16 HG12 ILE 16 5.193 1.014 7.344 766 2HG1 ILE 16 HG11 ILE 16 5.635 1.575 8.954 767 1HG2 ILE 16 HG21 ILE 16 6.226 -1.778 7.467 768 2HG2 ILE 16 HG22 ILE 16 4.570 -1.402 6.992 769 3HG2 ILE 16 HG23 ILE 16 4.874 -2.561 8.286 770 1HD1 ILE 16 HD11 ILE 16 7.534 1.606 7.430 771 2HD1 ILE 16 HD12 ILE 16 7.348 -0.123 7.155 772 3HD1 ILE 16 HD13 ILE 16 7.793 0.473 8.755 773 H GLN 17 HN GLN 17 4.248 -1.134 11.658 774 HA GLN 17 HA GLN 17 3.492 -3.839 11.380 775 1HB GLN 17 HB2 GLN 17 5.120 -3.107 13.043 776 2HB GLN 17 HB1 GLN 17 3.886 -2.168 13.868 777 1HG GLN 17 HG2 GLN 17 4.379 -4.263 15.019 778 2HG GLN 17 HG1 GLN 17 2.704 -4.184 14.477 779 1HE2 GLN 17 HE21 GLN 17 1.990 -5.571 12.902 780 2HE2 GLN 17 HE22 GLN 17 2.913 -6.938 12.366 781 H ASP 18 HN ASP 18 1.840 -1.051 12.858 782 HA ASP 18 HA ASP 18 -0.363 -2.506 13.839 783 1HB ASP 18 HB2 ASP 18 0.309 -0.167 14.501 784 2HB ASP 18 HB1 ASP 18 -0.409 0.390 12.993 785 H LEU 19 HN LEU 19 0.260 -1.031 10.714 786 HA LEU 19 HA LEU 19 -2.293 -1.478 9.574 787 1HB LEU 19 HB2 LEU 19 0.448 -1.325 8.319 788 2HB LEU 19 HB1 LEU 19 -1.038 -1.427 7.396 789 HG LEU 19 HG LEU 19 -0.414 0.813 9.320 790 1HD1 LEU 19 HD11 LEU 19 -0.127 0.711 6.320 791 2HD1 LEU 19 HD12 LEU 19 1.186 0.826 7.492 792 3HD1 LEU 19 HD13 LEU 19 0.040 2.155 7.321 793 1HD2 LEU 19 HD21 LEU 19 -2.259 1.941 8.171 794 2HD2 LEU 19 HD22 LEU 19 -2.795 0.439 8.926 795 3HD2 LEU 19 HD23 LEU 19 -2.524 0.502 7.185 796 H LEU 20 HN LEU 20 0.666 -3.425 9.691 797 HA LEU 20 HA LEU 20 -0.306 -5.624 8.220 798 1HB LEU 20 HB2 LEU 20 1.816 -5.507 10.366 799 2HB LEU 20 HB1 LEU 20 1.524 -6.895 9.334 800 HG LEU 20 HG LEU 20 2.404 -4.168 8.379 801 1HD1 LEU 20 HD11 LEU 20 3.945 -6.748 8.621 802 2HD1 LEU 20 HD12 LEU 20 4.140 -5.326 9.646 803 3HD1 LEU 20 HD13 LEU 20 4.542 -5.238 7.932 804 1HD2 LEU 20 HD21 LEU 20 1.054 -5.343 6.725 805 2HD2 LEU 20 HD22 LEU 20 2.073 -6.773 6.895 806 3HD2 LEU 20 HD23 LEU 20 2.746 -5.284 6.230 807 H ASP 21 HN ASP 21 -0.507 -4.755 11.622 808 HA ASP 21 HA ASP 21 -1.562 -7.136 12.631 809 1HB ASP 21 HB2 ASP 21 -1.754 -4.275 13.460 810 2HB ASP 21 HB1 ASP 21 -2.838 -5.439 14.213 811 H VAL 22 HN VAL 22 -3.221 -4.349 11.181 812 HA VAL 22 HA VAL 22 -5.848 -5.257 11.408 813 HB VAL 22 HB VAL 22 -4.686 -3.709 9.080 814 1HG1 VAL 22 HG11 VAL 22 -6.916 -4.597 8.633 815 2HG1 VAL 22 HG12 VAL 22 -6.960 -2.842 8.806 816 3HG1 VAL 22 HG13 VAL 22 -7.513 -3.873 10.126 817 1HG2 VAL 22 HG21 VAL 22 -5.348 -1.702 10.297 818 2HG2 VAL 22 HG22 VAL 22 -4.158 -2.638 11.204 819 3HG2 VAL 22 HG23 VAL 22 -5.860 -2.691 11.664 820 H LEU 23 HN LEU 23 -3.433 -5.870 8.917 821 HA LEU 23 HA LEU 23 -5.140 -7.316 7.187 822 1HB LEU 23 HB2 LEU 23 -2.131 -7.367 7.397 823 2HB LEU 23 HB1 LEU 23 -3.070 -7.984 6.050 824 HG LEU 23 HG LEU 23 -2.918 -5.092 6.911 825 1HD1 LEU 23 HD11 LEU 23 -1.712 -4.753 4.828 826 2HD1 LEU 23 HD12 LEU 23 -1.782 -6.483 4.494 827 3HD1 LEU 23 HD13 LEU 23 -0.861 -5.888 5.875 828 1HD2 LEU 23 HD21 LEU 23 -5.098 -5.609 5.980 829 2HD2 LEU 23 HD22 LEU 23 -4.342 -6.375 4.582 830 3HD2 LEU 23 HD23 LEU 23 -4.161 -4.640 4.842 831 H VAL 24 HN VAL 24 -3.063 -8.290 9.872 832 HA VAL 24 HA VAL 24 -3.446 -11.098 9.284 833 HB VAL 24 HB VAL 24 -1.326 -10.214 10.311 834 1HG1 VAL 24 HG11 VAL 24 -3.015 -10.013 12.794 835 2HG1 VAL 24 HG12 VAL 24 -2.273 -8.671 11.924 836 3HG1 VAL 24 HG13 VAL 24 -1.260 -9.868 12.730 837 1HG2 VAL 24 HG21 VAL 24 -2.754 -12.388 11.835 838 2HG2 VAL 24 HG22 VAL 24 -1.010 -12.125 11.800 839 3HG2 VAL 24 HG23 VAL 24 -1.863 -12.588 10.327 840 H LYS 25 HN LYS 25 -4.944 -8.671 11.294 841 HA LYS 25 HA LYS 25 -6.380 -10.353 13.032 842 1HB LYS 25 HB2 LYS 25 -7.032 -7.625 11.911 843 2HB LYS 25 HB1 LYS 25 -8.050 -8.437 13.092 844 1HG LYS 25 HG2 LYS 25 -6.291 -8.409 14.717 845 2HG LYS 25 HG1 LYS 25 -5.146 -7.779 13.529 846 1HD LYS 25 HD2 LYS 25 -6.562 -5.752 13.321 847 2HD LYS 25 HD1 LYS 25 -7.591 -6.379 14.609 848 1HE LYS 25 HE2 LYS 25 -5.709 -6.352 16.149 849 2HE LYS 25 HE1 LYS 25 -4.644 -5.787 14.865 850 1HZ LYS 25 HZ1 LYS 25 -5.376 -3.993 16.332 851 2HZ LYS 25 HZ2 LYS 25 -6.993 -4.292 15.914 852 3HZ LYS 25 HZ3 LYS 25 -5.899 -3.744 14.739 853 H GLU 26 HN GLU 26 -6.964 -9.325 9.733 854 HA GLU 26 HA GLU 26 -9.439 -10.885 9.649 855 1HB GLU 26 HB2 GLU 26 -8.182 -9.009 7.642 856 2HB GLU 26 HB1 GLU 26 -9.669 -9.901 7.361 857 1HG GLU 26 HG2 GLU 26 -9.254 -7.892 9.565 858 2HG GLU 26 HG1 GLU 26 -10.048 -7.563 8.025 859 H GLU 27 HN GLU 27 -6.197 -11.343 9.180 860 HA GLU 27 HA GLU 27 -4.852 -12.712 7.965 861 1HB GLU 27 HB2 GLU 27 -7.319 -14.439 8.223 862 2HB GLU 27 HB1 GLU 27 -5.792 -15.026 7.577 863 1HG GLU 27 HG2 GLU 27 -4.714 -14.373 9.729 864 2HG GLU 27 HG1 GLU 27 -6.319 -14.001 10.356 865 H VAL 28 HN VAL 28 -5.719 -10.808 6.384 866 HA VAL 28 HA VAL 28 -7.316 -11.545 4.179 867 HB VAL 28 HB VAL 28 -6.540 -9.518 3.104 868 1HG1 VAL 28 HG11 VAL 28 -8.198 -9.294 4.867 869 2HG1 VAL 28 HG12 VAL 28 -7.129 -7.890 4.834 870 3HG1 VAL 28 HG13 VAL 28 -6.915 -9.132 6.068 871 1HG2 VAL 28 HG21 VAL 28 -4.478 -9.377 5.299 872 2HG2 VAL 28 HG22 VAL 28 -4.791 -8.118 4.103 873 3HG2 VAL 28 HG23 VAL 28 -4.164 -9.687 3.591 874 H THR 29 HN THR 29 -6.744 -11.972 2.017 875 HA THR 29 HA THR 29 -4.362 -13.562 1.697 876 HB THR 29 HB THR 29 -5.216 -13.993 -0.575 877 HG1 THR 29 HG1 THR 29 -7.144 -13.014 -1.246 878 1HG2 THR 29 HG21 THR 29 -6.076 -15.343 1.291 879 2HG2 THR 29 HG22 THR 29 -7.289 -15.129 0.029 880 3HG2 THR 29 HG23 THR 29 -7.388 -14.185 1.516 881 HA PRO 30 HA PRO 30 -1.578 -10.635 -0.163 882 1HB PRO 30 HB2 PRO 30 -1.576 -12.394 -2.577 883 2HB PRO 30 HB1 PRO 30 -0.213 -11.740 -1.660 884 1HG PRO 30 HG2 PRO 30 -0.920 -14.284 -1.382 885 2HG PRO 30 HG1 PRO 30 -0.415 -13.329 0.025 886 1HD PRO 30 HD2 PRO 30 -3.152 -14.177 -0.809 887 2HD PRO 30 HD1 PRO 30 -2.471 -14.004 0.821 888 H ASP 31 HN ASP 31 -3.920 -11.973 -2.495 889 HA ASP 31 HA ASP 31 -3.989 -9.780 -4.241 890 1HB ASP 31 HB2 ASP 31 -6.236 -11.708 -3.610 891 2HB ASP 31 HB1 ASP 31 -6.136 -10.671 -5.027 892 H LEU 32 HN LEU 32 -5.964 -10.548 -1.408 893 HA LEU 32 HA LEU 32 -7.708 -8.334 -1.633 894 1HB LEU 32 HB2 LEU 32 -8.261 -10.319 -0.329 895 2HB LEU 32 HB1 LEU 32 -6.937 -9.992 0.770 896 HG LEU 32 HG LEU 32 -8.059 -7.964 1.549 897 1HD1 LEU 32 HD11 LEU 32 -10.334 -7.452 0.848 898 2HD1 LEU 32 HD12 LEU 32 -10.284 -8.776 -0.315 899 3HD1 LEU 32 HD13 LEU 32 -9.221 -7.383 -0.519 900 1HD2 LEU 32 HD21 LEU 32 -8.502 -10.044 2.713 901 2HD2 LEU 32 HD22 LEU 32 -9.808 -10.420 1.589 902 3HD2 LEU 32 HD23 LEU 32 -9.955 -9.045 2.682 903 H ALA 33 HN ALA 33 -4.756 -8.884 0.239 904 HA ALA 33 HA ALA 33 -4.717 -6.482 1.656 905 1HB ALA 33 HB1 ALA 33 -2.353 -8.070 0.669 906 2HB ALA 33 HB2 ALA 33 -3.253 -8.382 2.154 907 3HB ALA 33 HB3 ALA 33 -2.342 -6.882 1.972 908 H LEU 34 HN LEU 34 -3.241 -7.274 -1.488 909 HA LEU 34 HA LEU 34 -2.061 -4.770 -1.942 910 1HB LEU 34 HB2 LEU 34 -3.081 -6.817 -3.908 911 2HB LEU 34 HB1 LEU 34 -2.104 -5.431 -4.350 912 HG LEU 34 HG LEU 34 -1.238 -7.687 -2.539 913 1HD1 LEU 34 HD11 LEU 34 -1.413 -8.382 -4.861 914 2HD1 LEU 34 HD12 LEU 34 0.277 -8.266 -4.373 915 3HD1 LEU 34 HD13 LEU 34 -0.443 -6.997 -5.364 916 1HD2 LEU 34 HD21 LEU 34 -0.229 -5.537 -1.934 917 2HD2 LEU 34 HD22 LEU 34 0.327 -5.338 -3.597 918 3HD2 LEU 34 HD23 LEU 34 0.957 -6.656 -2.607 919 H MET 35 HN MET 35 -5.287 -5.994 -2.705 920 HA MET 35 HA MET 35 -6.089 -3.751 -4.240 921 1HB MET 35 HB2 MET 35 -7.202 -5.940 -4.382 922 2HB MET 35 HB1 MET 35 -7.799 -5.743 -2.742 923 1HG MET 35 HG2 MET 35 -9.205 -3.936 -3.385 924 2HG MET 35 HG1 MET 35 -8.467 -3.858 -4.985 925 1HE MET 35 HE1 MET 35 -11.082 -7.397 -3.573 926 2HE MET 35 HE2 MET 35 -10.734 -5.994 -2.567 927 3HE MET 35 HE3 MET 35 -9.441 -7.115 -2.990 928 H CYS 36 HN CYS 36 -6.545 -4.594 -0.818 929 HA CYS 36 HA CYS 36 -8.058 -2.285 -0.178 930 1HB CYS 36 HB2 CYS 36 -6.391 -4.114 1.553 931 2HB CYS 36 HB1 CYS 36 -7.410 -2.826 2.188 932 HG CYS 36 HG CYS 36 -9.756 -3.974 1.804 933 H LEU 37 HN LEU 37 -4.588 -3.018 0.132 934 HA LEU 37 HA LEU 37 -3.877 -0.547 1.298 935 1HB LEU 37 HB2 LEU 37 -2.237 -2.492 -0.323 936 2HB LEU 37 HB1 LEU 37 -1.566 -1.112 0.526 937 HG LEU 37 HG LEU 37 -3.028 -3.401 1.849 938 1HD1 LEU 37 HD11 LEU 37 -0.076 -2.794 1.725 939 2HD1 LEU 37 HD12 LEU 37 -0.896 -4.128 0.914 940 3HD1 LEU 37 HD13 LEU 37 -0.831 -4.073 2.675 941 1HD2 LEU 37 HD21 LEU 37 -3.215 -1.283 3.066 942 2HD2 LEU 37 HD22 LEU 37 -1.460 -1.107 3.028 943 3HD2 LEU 37 HD23 LEU 37 -2.193 -2.435 3.927 944 H GLY 38 HN GLY 38 -4.047 -1.624 -2.070 945 1HA GLY 38 HA2 GLY 38 -2.855 0.581 -3.295 946 2HA GLY 38 HA1 GLY 38 -4.080 -0.439 -4.033 947 H ASN 39 HN ASN 39 -6.230 0.121 -2.312 948 HA ASN 39 HA ASN 39 -7.118 2.598 -3.402 949 1HB ASN 39 HB2 ASN 39 -8.291 0.623 -1.474 950 2HB ASN 39 HB1 ASN 39 -9.054 2.195 -1.693 951 1HD2 ASN 39 HD21 ASN 39 -8.322 -0.871 -3.152 952 2HD2 ASN 39 HD22 ASN 39 -9.368 -0.690 -4.526 953 H ALA 40 HN ALA 40 -5.919 1.589 -0.252 954 HA ALA 40 HA ALA 40 -6.446 3.982 1.138 955 1HB ALA 40 HB1 ALA 40 -4.223 1.992 1.602 956 2HB ALA 40 HB2 ALA 40 -5.855 1.887 2.265 957 3HB ALA 40 HB3 ALA 40 -4.788 3.205 2.752 958 H VAL 41 HN VAL 41 -3.604 2.886 -0.682 959 HA VAL 41 HA VAL 41 -1.989 5.141 -0.265 960 HB VAL 41 HB VAL 41 -2.073 3.337 -2.695 961 1HG1 VAL 41 HG11 VAL 41 0.108 5.164 -1.695 962 2HG1 VAL 41 HG12 VAL 41 -0.875 5.409 -3.140 963 3HG1 VAL 41 HG13 VAL 41 0.242 4.046 -3.052 964 1HG2 VAL 41 HG21 VAL 41 -0.232 2.133 -1.616 965 2HG2 VAL 41 HG22 VAL 41 -1.709 2.072 -0.652 966 3HG2 VAL 41 HG23 VAL 41 -0.399 3.163 -0.191 967 H THR 42 HN THR 42 -4.269 4.384 -2.886 968 HA THR 42 HA THR 42 -3.870 6.681 -4.420 969 HB THR 42 HB THR 42 -6.450 5.127 -4.130 970 HG1 THR 42 HG1 THR 42 -4.873 3.680 -4.745 971 1HG2 THR 42 HG21 THR 42 -6.732 7.254 -5.302 972 2HG2 THR 42 HG22 THR 42 -6.885 5.901 -6.423 973 3HG2 THR 42 HG23 THR 42 -5.397 6.849 -6.382 974 H ASN 43 HN ASN 43 -6.068 6.094 -1.703 975 HA ASN 43 HA ASN 43 -7.549 8.467 -1.812 976 1HB ASN 43 HB2 ASN 43 -7.979 6.452 -0.328 977 2HB ASN 43 HB1 ASN 43 -6.711 7.054 0.731 978 1HD2 ASN 43 HD21 ASN 43 -9.508 6.625 1.317 979 2HD2 ASN 43 HD22 ASN 43 -10.154 8.149 1.817 980 H ILE 44 HN ILE 44 -4.480 7.745 -0.196 981 HA ILE 44 HA ILE 44 -4.169 10.300 1.000 982 HB ILE 44 HB ILE 44 -2.061 8.248 0.302 983 1HG1 ILE 44 HG12 ILE 44 -3.759 7.342 1.800 984 2HG1 ILE 44 HG11 ILE 44 -2.249 7.585 2.671 985 1HG2 ILE 44 HG21 ILE 44 -1.070 10.437 0.655 986 2HG2 ILE 44 HG22 ILE 44 -0.685 9.362 2.000 987 3HG2 ILE 44 HG23 ILE 44 -1.930 10.598 2.188 988 1HD1 ILE 44 HD11 ILE 44 -4.152 8.252 4.017 989 2HD1 ILE 44 HD12 ILE 44 -4.656 9.392 2.766 990 3HD1 ILE 44 HD13 ILE 44 -3.141 9.646 3.634 991 H ILE 45 HN ILE 45 -3.017 8.883 -2.031 992 HA ILE 45 HA ILE 45 -1.379 11.051 -2.809 993 HB ILE 45 HB ILE 45 -2.729 8.964 -4.535 994 1HG1 ILE 45 HG12 ILE 45 0.062 9.074 -3.365 995 2HG1 ILE 45 HG11 ILE 45 -1.243 8.046 -2.786 996 1HG2 ILE 45 HG21 ILE 45 -0.406 10.787 -5.162 997 2HG2 ILE 45 HG22 ILE 45 -2.024 10.894 -5.853 998 3HG2 ILE 45 HG23 ILE 45 -1.010 9.492 -6.198 999 1HD1 ILE 45 HD11 ILE 45 0.289 6.779 -4.143 1000 2HD1 ILE 45 HD12 ILE 45 0.078 7.906 -5.478 1001 3HD1 ILE 45 HD13 ILE 45 -1.271 6.900 -4.955 1002 H ALA 46 HN ALA 46 -4.808 10.436 -3.125 1003 HA ALA 46 HA ALA 46 -5.347 12.463 -5.043 1004 1HB ALA 46 HB1 ALA 46 -6.914 10.648 -4.635 1005 2HB ALA 46 HB2 ALA 46 -7.687 12.207 -4.342 1006 3HB ALA 46 HB3 ALA 46 -7.162 11.213 -2.982 1007 H GLN 47 HN GLN 47 -4.694 12.484 -1.670 1008 HA GLN 47 HA GLN 47 -5.861 15.098 -1.205 1009 1HB GLN 47 HB2 GLN 47 -4.121 13.402 0.599 1010 2HB GLN 47 HB1 GLN 47 -5.035 14.828 1.078 1011 1HG GLN 47 HG2 GLN 47 -7.116 13.695 0.632 1012 2HG GLN 47 HG1 GLN 47 -6.251 12.287 0.017 1013 1HE2 GLN 47 HE21 GLN 47 -7.126 10.891 1.491 1014 2HE2 GLN 47 HE22 GLN 47 -6.714 10.926 3.172 1015 H VAL 48 HN VAL 48 -3.094 13.930 -2.585 1016 HA VAL 48 HA VAL 48 -1.382 16.148 -1.744 1017 HB VAL 48 HB VAL 48 -0.779 13.944 -3.718 1018 1HG1 VAL 48 HG11 VAL 48 1.564 14.488 -3.268 1019 2HG1 VAL 48 HG12 VAL 48 1.049 15.804 -2.213 1020 3HG1 VAL 48 HG13 VAL 48 0.687 15.863 -3.939 1021 1HG2 VAL 48 HG21 VAL 48 -0.161 14.047 -0.770 1022 2HG2 VAL 48 HG22 VAL 48 0.408 12.813 -1.894 1023 3HG2 VAL 48 HG23 VAL 48 -1.316 12.970 -1.554 1024 HA PRO 49 HA PRO 49 -2.738 18.770 -5.060 1025 1HB PRO 49 HB2 PRO 49 -0.248 19.971 -5.531 1026 2HB PRO 49 HB1 PRO 49 -1.488 20.538 -4.411 1027 1HG PRO 49 HG2 PRO 49 0.974 18.962 -3.876 1028 2HG PRO 49 HG1 PRO 49 0.165 20.170 -2.862 1029 1HD PRO 49 HD2 PRO 49 0.006 17.533 -2.354 1030 2HD PRO 49 HD1 PRO 49 -1.349 18.628 -2.030 1031 H GLU 50 HN GLU 50 -2.784 18.751 -7.264 1032 HA GLU 50 HA GLU 50 -2.016 16.366 -8.488 1033 1HB GLU 50 HB2 GLU 50 -3.943 17.717 -9.189 1034 2HB GLU 50 HB1 GLU 50 -2.850 18.945 -9.814 1035 1HG GLU 50 HG2 GLU 50 -1.956 17.320 -11.414 1036 2HG GLU 50 HG1 GLU 50 -3.079 16.109 -10.797 1037 H SER 51 HN SER 51 -0.407 19.468 -8.409 1038 HA SER 51 HA SER 51 1.309 19.261 -10.571 1039 1HB SER 51 HB2 SER 51 1.113 21.281 -9.186 1040 2HB SER 51 HB1 SER 51 1.895 20.447 -7.845 1041 HG SER 51 HG SER 51 3.063 20.989 -10.391 1042 H LYS 52 HN LYS 52 1.492 17.676 -7.449 1043 HA LYS 52 HA LYS 52 3.927 16.294 -8.369 1044 1HB LYS 52 HB2 LYS 52 4.565 16.061 -5.992 1045 2HB LYS 52 HB1 LYS 52 4.458 17.742 -6.495 1046 1HG LYS 52 HG2 LYS 52 2.227 17.884 -5.468 1047 2HG LYS 52 HG1 LYS 52 2.399 16.220 -4.914 1048 1HD LYS 52 HD2 LYS 52 3.014 17.445 -3.048 1049 2HD LYS 52 HD1 LYS 52 4.570 17.072 -3.789 1050 1HE LYS 52 HE2 LYS 52 3.080 19.643 -4.277 1051 2HE LYS 52 HE1 LYS 52 4.253 19.446 -2.979 1052 1HZ LYS 52 HZ1 LYS 52 5.347 20.432 -4.808 1053 2HZ LYS 52 HZ2 LYS 52 4.753 19.283 -5.901 1054 3HZ LYS 52 HZ3 LYS 52 5.897 18.829 -4.731 1055 H ARG 53 HN ARG 53 0.764 15.886 -8.068 1056 HA ARG 53 HA ARG 53 0.423 13.598 -6.454 1057 1HB ARG 53 HB2 ARG 53 -1.428 15.060 -7.134 1058 2HB ARG 53 HB1 ARG 53 -1.217 14.566 -8.805 1059 1HG ARG 53 HG2 ARG 53 -1.898 12.318 -8.277 1060 2HG ARG 53 HG1 ARG 53 -1.986 12.716 -6.560 1061 1HD ARG 53 HD2 ARG 53 -3.663 13.968 -8.734 1062 2HD ARG 53 HD1 ARG 53 -4.200 12.700 -7.633 1063 HE ARG 53 HE ARG 53 -3.513 14.498 -5.864 1064 1HH1 ARG 53 HH11 ARG 53 -5.146 15.075 -8.919 1065 2HH1 ARG 53 HH12 ARG 53 -5.966 16.499 -8.350 1066 1HH2 ARG 53 HH21 ARG 53 -4.590 16.349 -5.131 1067 2HH2 ARG 53 HH22 ARG 53 -5.666 17.210 -6.191 1068 H VAL 54 HN VAL 54 1.059 13.976 -9.912 1069 HA VAL 54 HA VAL 54 0.962 11.172 -10.457 1070 HB VAL 54 HB VAL 54 2.293 13.338 -12.094 1071 1HG1 VAL 54 HG11 VAL 54 2.955 11.074 -12.730 1072 2HG1 VAL 54 HG12 VAL 54 1.954 11.819 -13.977 1073 3HG1 VAL 54 HG13 VAL 54 1.258 10.618 -12.889 1074 1HG2 VAL 54 HG21 VAL 54 -0.544 12.318 -12.197 1075 2HG2 VAL 54 HG22 VAL 54 0.186 13.424 -13.362 1076 3HG2 VAL 54 HG23 VAL 54 -0.024 13.923 -11.683 1077 H ALA 55 HN ALA 55 3.396 13.430 -9.435 1078 HA ALA 55 HA ALA 55 5.659 11.820 -10.061 1079 1HB ALA 55 HB1 ALA 55 6.911 13.414 -8.692 1080 2HB ALA 55 HB2 ALA 55 5.396 14.116 -8.124 1081 3HB ALA 55 HB3 ALA 55 5.838 14.237 -9.826 1082 H VAL 56 HN VAL 56 3.767 12.372 -7.093 1083 HA VAL 56 HA VAL 56 5.488 10.874 -5.430 1084 HB VAL 56 HB VAL 56 3.633 10.839 -3.789 1085 1HG1 VAL 56 HG11 VAL 56 3.540 13.264 -3.453 1086 2HG1 VAL 56 HG12 VAL 56 4.165 13.505 -5.085 1087 3HG1 VAL 56 HG13 VAL 56 5.165 12.716 -3.866 1088 1HG2 VAL 56 HG21 VAL 56 1.750 10.661 -5.332 1089 2HG2 VAL 56 HG22 VAL 56 2.081 12.288 -5.929 1090 3HG2 VAL 56 HG23 VAL 56 1.570 12.048 -4.257 1091 H VAL 57 HN VAL 57 2.611 9.932 -7.290 1092 HA VAL 57 HA VAL 57 2.512 7.313 -6.175 1093 HB VAL 57 HB VAL 57 0.510 8.250 -7.202 1094 1HG1 VAL 57 HG11 VAL 57 1.512 9.545 -8.992 1095 2HG1 VAL 57 HG12 VAL 57 0.285 8.449 -9.628 1096 3HG1 VAL 57 HG13 VAL 57 1.995 8.063 -9.817 1097 1HG2 VAL 57 HG21 VAL 57 0.735 5.828 -7.081 1098 2HG2 VAL 57 HG22 VAL 57 1.503 5.809 -8.668 1099 3HG2 VAL 57 HG23 VAL 57 -0.181 6.307 -8.509 1100 H ASP 58 HN ASP 58 4.053 8.703 -9.026 1101 HA ASP 58 HA ASP 58 4.908 6.261 -10.161 1102 1HB ASP 58 HB2 ASP 58 4.876 8.417 -11.382 1103 2HB ASP 58 HB1 ASP 58 6.205 8.975 -10.374 1104 H ASN 59 HN ASN 59 6.533 8.593 -8.018 1105 HA ASN 59 HA ASN 59 8.934 7.146 -7.746 1106 1HB ASN 59 HB2 ASN 59 7.593 9.131 -5.901 1107 2HB ASN 59 HB1 ASN 59 9.186 8.449 -5.584 1108 1HD2 ASN 59 HD21 ASN 59 8.395 11.207 -6.060 1109 2HD2 ASN 59 HD22 ASN 59 9.321 11.742 -7.416 1110 H PHE 60 HN PHE 60 5.880 7.001 -6.000 1111 HA PHE 60 HA PHE 60 6.583 5.184 -3.989 1112 1HB PHE 60 HB2 PHE 60 4.420 6.439 -4.151 1113 2HB PHE 60 HB1 PHE 60 3.946 5.364 -5.463 1114 HD1 PHE 60 HD1 PHE 60 4.984 5.317 -1.889 1115 HD2 PHE 60 HD2 PHE 60 2.798 3.425 -5.009 1116 HE1 PHE 60 HE1 PHE 60 4.032 3.739 -0.259 1117 HE2 PHE 60 HE2 PHE 60 1.841 1.842 -3.382 1118 HZ PHE 60 HZ PHE 60 2.457 2.001 -1.007 1119 H THR 61 HN THR 61 5.153 4.595 -7.194 1120 HA THR 61 HA THR 61 5.213 1.792 -6.982 1121 HB THR 61 HB THR 61 4.895 1.803 -9.463 1122 HG1 THR 61 HG1 THR 61 5.762 4.372 -9.165 1123 1HG2 THR 61 HG21 THR 61 3.128 3.616 -7.818 1124 2HG2 THR 61 HG22 THR 61 2.972 1.865 -8.006 1125 3HG2 THR 61 HG23 THR 61 2.689 2.933 -9.384 1126 H LYS 62 HN LYS 62 7.524 4.101 -8.360 1127 HA LYS 62 HA LYS 62 9.310 2.243 -9.464 1128 1HB LYS 62 HB2 LYS 62 9.397 4.670 -9.895 1129 2HB LYS 62 HB1 LYS 62 9.925 4.939 -8.238 1130 1HG LYS 62 HG2 LYS 62 11.958 3.646 -8.686 1131 2HG LYS 62 HG1 LYS 62 11.427 3.410 -10.353 1132 1HD LYS 62 HD2 LYS 62 11.448 5.839 -10.691 1133 2HD LYS 62 HD1 LYS 62 12.009 6.058 -9.031 1134 1HE LYS 62 HE2 LYS 62 14.020 4.739 -9.566 1135 2HE LYS 62 HE1 LYS 62 13.463 4.599 -11.234 1136 1HZ LYS 62 HZ1 LYS 62 15.079 6.375 -10.994 1137 2HZ LYS 62 HZ2 LYS 62 14.111 7.134 -9.828 1138 3HZ LYS 62 HZ3 LYS 62 13.566 7.008 -11.431 1139 H ALA 63 HN ALA 63 9.344 3.779 -6.243 1140 HA ALA 63 HA ALA 63 11.669 2.436 -5.343 1141 1HB ALA 63 HB1 ALA 63 11.061 3.251 -3.121 1142 2HB ALA 63 HB2 ALA 63 9.464 3.702 -3.720 1143 3HB ALA 63 HB3 ALA 63 10.899 4.521 -4.334 1144 H LEU 64 HN LEU 64 8.257 1.673 -5.205 1145 HA LEU 64 HA LEU 64 8.269 -0.452 -3.410 1146 1HB LEU 64 HB2 LEU 64 6.505 0.647 -5.360 1147 2HB LEU 64 HB1 LEU 64 6.540 -1.092 -5.576 1148 HG LEU 64 HG LEU 64 5.965 0.239 -2.930 1149 1HD1 LEU 64 HD11 LEU 64 4.270 0.880 -4.543 1150 2HD1 LEU 64 HD12 LEU 64 3.614 -0.279 -3.387 1151 3HD1 LEU 64 HD13 LEU 64 4.051 -0.806 -5.012 1152 1HD2 LEU 64 HD21 LEU 64 6.755 -2.050 -2.738 1153 2HD2 LEU 64 HD22 LEU 64 5.573 -2.580 -3.936 1154 3HD2 LEU 64 HD23 LEU 64 5.030 -1.969 -2.372 1155 H LYS 65 HN LYS 65 8.832 -0.463 -6.919 1156 HA LYS 65 HA LYS 65 9.272 -3.247 -7.121 1157 1HB LYS 65 HB2 LYS 65 10.111 -0.947 -8.884 1158 2HB LYS 65 HB1 LYS 65 10.433 -2.628 -9.287 1159 1HG LYS 65 HG2 LYS 65 8.031 -3.093 -9.253 1160 2HG LYS 65 HG1 LYS 65 7.716 -1.401 -8.867 1161 1HD LYS 65 HD2 LYS 65 8.615 -0.689 -10.973 1162 2HD LYS 65 HD1 LYS 65 9.176 -2.322 -11.339 1163 1HE LYS 65 HE2 LYS 65 6.866 -3.107 -11.408 1164 2HE LYS 65 HE1 LYS 65 6.294 -1.487 -11.016 1165 1HZ LYS 65 HZ1 LYS 65 6.209 -2.108 -13.420 1166 2HZ LYS 65 HZ2 LYS 65 7.903 -2.098 -13.432 1167 3HZ LYS 65 HZ3 LYS 65 7.052 -0.674 -13.088 1168 H GLN 66 HN GLN 66 11.389 -0.542 -6.394 1169 HA GLN 66 HA GLN 66 13.849 -1.869 -6.682 1170 1HB GLN 66 HB2 GLN 66 13.144 0.393 -4.804 1171 2HB GLN 66 HB1 GLN 66 14.774 -0.115 -5.211 1172 1HG GLN 66 HG2 GLN 66 14.309 0.468 -7.576 1173 2HG GLN 66 HG1 GLN 66 12.736 1.083 -7.072 1174 1HE2 GLN 66 HE21 GLN 66 15.674 1.403 -5.187 1175 2HE2 GLN 66 HE22 GLN 66 15.816 3.118 -5.347 1176 H SER 67 HN SER 67 11.701 -1.508 -3.860 1177 HA SER 67 HA SER 67 13.523 -2.781 -2.078 1178 1HB SER 67 HB2 SER 67 11.432 -2.884 -0.580 1179 2HB SER 67 HB1 SER 67 12.029 -1.292 -1.048 1180 HG SER 67 HG SER 67 9.639 -2.478 -1.590 1181 H VAL 68 HN VAL 68 10.818 -3.915 -4.021 1182 HA VAL 68 HA VAL 68 10.562 -6.460 -2.821 1183 HB VAL 68 HB VAL 68 9.890 -5.567 -5.631 1184 1HG1 VAL 68 HG11 VAL 68 9.061 -8.086 -4.189 1185 2HG1 VAL 68 HG12 VAL 68 10.160 -7.993 -5.566 1186 3HG1 VAL 68 HG13 VAL 68 8.465 -7.551 -5.760 1187 1HG2 VAL 68 HG21 VAL 68 8.661 -4.388 -3.888 1188 2HG2 VAL 68 HG22 VAL 68 8.168 -5.926 -3.182 1189 3HG2 VAL 68 HG23 VAL 68 7.595 -5.469 -4.785 1190 H LEU 69 HN LEU 69 12.615 -5.275 -5.443 1191 HA LEU 69 HA LEU 69 13.507 -7.911 -6.165 1192 1HB LEU 69 HB2 LEU 69 14.521 -5.188 -6.971 1193 2HB LEU 69 HB1 LEU 69 15.076 -6.702 -7.658 1194 HG LEU 69 HG LEU 69 12.267 -5.614 -7.843 1195 1HD1 LEU 69 HD11 LEU 69 13.832 -4.355 -9.207 1196 2HD1 LEU 69 HD12 LEU 69 12.779 -5.343 -10.220 1197 3HD1 LEU 69 HD13 LEU 69 14.440 -5.851 -9.918 1198 1HD2 LEU 69 HD21 LEU 69 12.258 -8.039 -7.789 1199 2HD2 LEU 69 HD22 LEU 69 13.501 -8.092 -9.039 1200 3HD2 LEU 69 HD23 LEU 69 11.897 -7.464 -9.417 1201 H GLU 70 HN GLU 70 14.347 -5.822 -3.664 1202 HA GLU 70 HA GLU 70 17.156 -6.624 -3.626 1203 1HB GLU 70 HB2 GLU 70 15.575 -4.656 -1.982 1204 2HB GLU 70 HB1 GLU 70 17.237 -5.089 -1.606 1205 1HG GLU 70 HG2 GLU 70 16.263 -3.822 -4.156 1206 2HG GLU 70 HG1 GLU 70 17.126 -3.012 -2.850 1207 H HIS 71 HN HIS 71 14.658 -8.353 -2.851 1208 HA HIS 71 HA HIS 71 15.131 -8.785 -0.028 1209 1HB HIS 71 HB2 HIS 71 12.899 -9.061 -1.520 1210 2HB HIS 71 HB1 HIS 71 13.466 -10.729 -1.511 1211 HD1 HIS 71 HD1 HIS 71 13.153 -12.062 0.644 1212 HD2 HIS 71 HD2 HIS 71 12.298 -8.009 1.075 1213 HE1 HIS 71 HE1 HIS 71 12.081 -11.824 2.906 1214 HE2 HIS 71 HE2 HIS 71 11.729 -9.349 3.214 1215 H HIS 72 HN HIS 72 15.917 -10.353 -3.059 1216 HA HIS 72 HA HIS 72 17.480 -12.359 -1.553 1217 1HB HIS 72 HB2 HIS 72 16.397 -12.414 -4.375 1218 2HB HIS 72 HB1 HIS 72 17.593 -13.561 -3.792 1219 HD1 HIS 72 HD1 HIS 72 16.778 -15.424 -2.200 1220 HD2 HIS 72 HD2 HIS 72 13.790 -12.822 -3.469 1221 HE1 HIS 72 HE1 HIS 72 14.613 -16.527 -1.585 1222 HE2 HIS 72 HE2 HIS 72 12.857 -15.102 -2.677 1223 H HIS 73 HN HIS 73 18.310 -9.621 -1.961 1224 HA HIS 73 HA HIS 73 19.849 -9.179 -4.234 1225 1HB HIS 73 HB2 HIS 73 19.191 -7.410 -2.638 1226 2HB HIS 73 HB1 HIS 73 20.341 -8.050 -1.471 1227 HD1 HIS 73 HD1 HIS 73 22.252 -6.485 -1.376 1228 HD2 HIS 73 HD2 HIS 73 20.897 -7.031 -5.269 1229 HE1 HIS 73 HE1 HIS 73 23.827 -5.174 -2.833 1230 HE2 HIS 73 HE2 HIS 73 22.890 -5.382 -5.165 1231 H HIS 74 HN HIS 74 21.108 -10.140 -1.005 1232 HA HIS 74 HA HIS 74 23.054 -11.797 -2.446 1233 1HB HIS 74 HB2 HIS 74 24.067 -9.568 -1.669 1234 2HB HIS 74 HB1 HIS 74 23.900 -10.199 -0.032 1235 HD1 HIS 74 HD1 HIS 74 25.784 -11.624 0.793 1236 HD2 HIS 74 HD2 HIS 74 25.769 -11.289 -3.349 1237 HE1 HIS 74 HE1 HIS 74 27.882 -12.770 0.013 1238 HE2 HIS 74 HE2 HIS 74 27.728 -12.751 -2.500 1239 H HIS 75 HN HIS 75 20.674 -12.590 -1.304 1240 HA HIS 75 HA HIS 75 21.711 -14.364 0.802 1241 1HB HIS 75 HB2 HIS 75 18.948 -13.157 0.572 1242 2HB HIS 75 HB1 HIS 75 19.283 -14.570 1.563 1243 HD1 HIS 75 HD1 HIS 75 20.498 -14.197 3.800 1244 HD2 HIS 75 HD2 HIS 75 19.987 -10.726 1.557 1245 HE1 HIS 75 HE1 HIS 75 21.048 -12.295 5.350 1246 HE2 HIS 75 HE2 HIS 75 20.567 -10.205 4.025 1247 H HIS 76 HN HIS 76 20.262 -16.446 0.849 1248 HA HIS 76 HA HIS 76 20.264 -17.433 -1.879 1249 1HB HIS 76 HB2 HIS 76 21.186 -18.829 -0.049 1250 2HB HIS 76 HB1 HIS 76 19.592 -18.883 0.697 1251 HD1 HIS 76 HD1 HIS 76 21.324 -19.974 -2.504 1252 HD2 HIS 76 HD2 HIS 76 17.980 -20.886 -0.202 1253 HE1 HIS 76 HE1 HIS 76 20.322 -22.038 -3.543 1254 HE2 HIS 76 HE2 HIS 76 18.171 -22.406 -2.285 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -12.083 -17.335 8.948 2 2H MET 1 HT2 MET 1 -12.279 -16.643 7.418 3 3H MET 1 HT3 MET 1 -12.318 -18.326 7.593 4 HA MET 1 HA MET 1 -14.320 -18.122 8.955 5 1HB MET 1 HB2 MET 1 -15.524 -16.008 9.001 6 2HB MET 1 HB1 MET 1 -13.926 -15.793 9.694 7 1HG MET 1 HG2 MET 1 -14.645 -15.061 6.865 8 2HG MET 1 HG1 MET 1 -14.702 -13.938 8.219 9 1HE MET 1 HE1 MET 1 -12.164 -14.850 9.915 10 2HE MET 1 HE2 MET 1 -12.555 -13.161 9.591 11 3HE MET 1 HE3 MET 1 -10.927 -13.768 9.277 12 HA PRO 2 HA PRO 2 -16.339 -19.256 5.237 13 1HB PRO 2 HB2 PRO 2 -18.869 -18.053 6.188 14 2HB PRO 2 HB1 PRO 2 -18.509 -19.728 5.755 15 1HG PRO 2 HG2 PRO 2 -18.828 -19.000 8.302 16 2HG PRO 2 HG1 PRO 2 -17.619 -20.211 7.836 17 1HD PRO 2 HD2 PRO 2 -17.242 -17.324 8.529 18 2HD PRO 2 HD1 PRO 2 -16.242 -18.728 8.962 19 H ILE 3 HN ILE 3 -15.262 -17.766 3.882 20 HA ILE 3 HA ILE 3 -17.056 -16.288 2.298 21 HB ILE 3 HB ILE 3 -16.824 -14.569 4.020 22 1HG1 ILE 3 HG12 ILE 3 -15.253 -13.772 1.567 23 2HG1 ILE 3 HG11 ILE 3 -17.005 -13.942 1.609 24 1HG2 ILE 3 HG21 ILE 3 -13.869 -14.628 3.446 25 2HG2 ILE 3 HG22 ILE 3 -14.648 -15.216 4.916 26 3HG2 ILE 3 HG23 ILE 3 -14.700 -13.498 4.516 27 1HD1 ILE 3 HD11 ILE 3 -15.378 -12.008 3.244 28 2HD1 ILE 3 HD12 ILE 3 -17.133 -12.181 3.294 29 3HD1 ILE 3 HD13 ILE 3 -16.343 -11.619 1.820 30 H VAL 4 HN VAL 4 -16.336 -16.599 0.299 31 HA VAL 4 HA VAL 4 -13.668 -17.705 -0.005 32 HB VAL 4 HB VAL 4 -14.413 -18.364 -2.267 33 1HG1 VAL 4 HG11 VAL 4 -16.067 -20.025 -1.542 34 2HG1 VAL 4 HG12 VAL 4 -16.299 -19.132 -0.040 35 3HG1 VAL 4 HG13 VAL 4 -14.741 -19.877 -0.390 36 1HG2 VAL 4 HG21 VAL 4 -15.961 -16.528 -2.711 37 2HG2 VAL 4 HG22 VAL 4 -17.041 -17.119 -1.450 38 3HG2 VAL 4 HG23 VAL 4 -16.766 -18.086 -2.899 39 H SER 5 HN SER 5 -12.758 -17.244 -2.344 40 HA SER 5 HA SER 5 -11.779 -14.614 -2.294 41 1HB SER 5 HB2 SER 5 -11.688 -16.535 -4.615 42 2HB SER 5 HB1 SER 5 -10.586 -15.197 -4.285 43 HG SER 5 HG SER 5 -9.645 -16.325 -2.701 44 H LYS 6 HN LYS 6 -13.164 -13.065 -2.524 45 HA LYS 6 HA LYS 6 -14.034 -11.954 -4.833 46 1HB LYS 6 HB2 LYS 6 -15.529 -13.950 -5.140 47 2HB LYS 6 HB1 LYS 6 -16.304 -13.565 -3.608 48 1HG LYS 6 HG2 LYS 6 -16.893 -11.320 -4.616 49 2HG LYS 6 HG1 LYS 6 -16.370 -11.985 -6.164 50 1HD LYS 6 HD2 LYS 6 -18.754 -12.233 -5.989 51 2HD LYS 6 HD1 LYS 6 -18.015 -13.832 -5.855 52 1HE LYS 6 HE2 LYS 6 -18.226 -13.739 -3.431 53 2HE LYS 6 HE1 LYS 6 -18.921 -12.123 -3.541 54 1HZ LYS 6 HZ1 LYS 6 -20.810 -13.016 -4.709 55 2HZ LYS 6 HZ2 LYS 6 -20.603 -13.870 -3.258 56 3HZ LYS 6 HZ3 LYS 6 -20.123 -14.566 -4.729 57 H TYR 7 HN TYR 7 -14.918 -12.905 -1.631 58 HA TYR 7 HA TYR 7 -15.721 -11.820 0.204 59 1HB TYR 7 HB2 TYR 7 -13.987 -9.608 -0.922 60 2HB TYR 7 HB1 TYR 7 -14.564 -9.707 0.738 61 HD1 TYR 7 HD1 TYR 7 -13.770 -11.623 2.183 62 HD2 TYR 7 HD2 TYR 7 -12.041 -10.751 -1.605 63 HE1 TYR 7 HE1 TYR 7 -11.795 -12.956 2.782 64 HE2 TYR 7 HE2 TYR 7 -10.063 -12.073 -1.014 65 HH TYR 7 HH TYR 7 -9.987 -14.163 1.688 66 H SER 8 HN SER 8 -15.950 -8.831 0.281 67 HA SER 8 HA SER 8 -18.090 -8.277 -1.596 68 1HB SER 8 HB2 SER 8 -19.308 -9.176 0.321 69 2HB SER 8 HB1 SER 8 -18.431 -8.103 1.412 70 HG SER 8 HG SER 8 -20.692 -7.579 0.325 71 H ASN 9 HN ASN 9 -18.279 -6.085 -2.047 72 HA ASN 9 HA ASN 9 -16.065 -4.434 -1.663 73 1HB ASN 9 HB2 ASN 9 -18.925 -3.717 -2.327 74 2HB ASN 9 HB1 ASN 9 -17.609 -2.549 -2.325 75 1HD2 ASN 9 HD21 ASN 9 -19.330 -3.422 -4.484 76 2HD2 ASN 9 HD22 ASN 9 -18.284 -4.033 -5.721 77 H GLU 10 HN GLU 10 -18.938 -4.907 0.245 78 HA GLU 10 HA GLU 10 -18.756 -2.648 1.901 79 1HB GLU 10 HB2 GLU 10 -19.925 -5.373 2.468 80 2HB GLU 10 HB1 GLU 10 -20.206 -3.930 3.437 81 1HG GLU 10 HG2 GLU 10 -21.302 -2.847 1.595 82 2HG GLU 10 HG1 GLU 10 -20.907 -4.190 0.523 83 H ARG 11 HN ARG 11 -17.316 -5.893 2.204 84 HA ARG 11 HA ARG 11 -16.218 -5.233 4.784 85 1HB ARG 11 HB2 ARG 11 -16.796 -7.587 4.204 86 2HB ARG 11 HB1 ARG 11 -15.474 -7.583 3.035 87 1HG ARG 11 HG2 ARG 11 -13.885 -7.115 4.827 88 2HG ARG 11 HG1 ARG 11 -15.200 -7.111 5.996 89 1HD ARG 11 HD2 ARG 11 -15.648 -9.467 5.471 90 2HD ARG 11 HD1 ARG 11 -14.289 -9.458 4.341 91 HE ARG 11 HE ARG 11 -13.624 -8.579 7.003 92 1HH1 ARG 11 HH11 ARG 11 -13.936 -11.401 4.952 93 2HH1 ARG 11 HH12 ARG 11 -12.772 -12.323 5.845 94 1HH2 ARG 11 HH21 ARG 11 -12.134 -9.758 8.169 95 2HH2 ARG 11 HH22 ARG 11 -11.722 -11.379 7.677 96 H VAL 12 HN VAL 12 -15.008 -5.436 1.463 97 HA VAL 12 HA VAL 12 -12.303 -4.926 2.046 98 HB VAL 12 HB VAL 12 -13.879 -4.141 -0.418 99 1HG1 VAL 12 HG11 VAL 12 -10.891 -4.341 -0.016 100 2HG1 VAL 12 HG12 VAL 12 -11.810 -2.851 -0.227 101 3HG1 VAL 12 HG13 VAL 12 -11.706 -4.017 -1.546 102 1HG2 VAL 12 HG21 VAL 12 -13.916 -6.543 -0.018 103 2HG2 VAL 12 HG22 VAL 12 -12.162 -6.562 0.159 104 3HG2 VAL 12 HG23 VAL 12 -12.886 -6.175 -1.401 105 H GLU 13 HN GLU 13 -15.031 -2.783 1.425 106 HA GLU 13 HA GLU 13 -13.852 -0.289 1.693 107 1HB GLU 13 HB2 GLU 13 -16.182 -0.631 1.045 108 2HB GLU 13 HB1 GLU 13 -16.557 -1.260 2.639 109 1HG GLU 13 HG2 GLU 13 -15.956 0.976 3.574 110 2HG GLU 13 HG1 GLU 13 -15.824 1.561 1.915 111 H LYS 14 HN LYS 14 -15.134 -2.450 4.198 112 HA LYS 14 HA LYS 14 -14.587 -0.839 6.424 113 1HB LYS 14 HB2 LYS 14 -16.012 -2.827 6.564 114 2HB LYS 14 HB1 LYS 14 -14.630 -3.859 6.230 115 1HG LYS 14 HG2 LYS 14 -13.577 -3.034 8.324 116 2HG LYS 14 HG1 LYS 14 -15.069 -2.160 8.674 117 1HD LYS 14 HD2 LYS 14 -14.823 -5.144 8.301 118 2HD LYS 14 HD1 LYS 14 -14.963 -4.315 9.852 119 1HE LYS 14 HE2 LYS 14 -17.156 -3.425 9.128 120 2HE LYS 14 HE1 LYS 14 -17.010 -4.353 7.636 121 1HZ LYS 14 HZ1 LYS 14 -17.179 -5.445 10.394 122 2HZ LYS 14 HZ2 LYS 14 -16.880 -6.381 9.011 123 3HZ LYS 14 HZ3 LYS 14 -18.356 -5.560 9.175 124 H ILE 15 HN ILE 15 -12.608 -3.327 4.831 125 HA ILE 15 HA ILE 15 -10.442 -3.233 6.620 126 HB ILE 15 HB ILE 15 -10.391 -3.923 3.677 127 1HG1 ILE 15 HG12 ILE 15 -10.695 -5.707 6.103 128 2HG1 ILE 15 HG11 ILE 15 -11.995 -5.271 5.001 129 1HG2 ILE 15 HG21 ILE 15 -8.449 -4.588 5.887 130 2HG2 ILE 15 HG22 ILE 15 -8.166 -3.465 4.557 131 3HG2 ILE 15 HG23 ILE 15 -8.362 -5.186 4.230 132 1HD1 ILE 15 HD11 ILE 15 -10.878 -6.428 3.191 133 2HD1 ILE 15 HD12 ILE 15 -11.120 -7.509 4.565 134 3HD1 ILE 15 HD13 ILE 15 -9.527 -6.819 4.254 135 H ILE 16 HN ILE 16 -10.981 -1.519 3.545 136 HA ILE 16 HA ILE 16 -8.612 -0.023 3.516 137 HB ILE 16 HB ILE 16 -11.330 0.800 2.475 138 1HG1 ILE 16 HG12 ILE 16 -9.041 -0.479 0.976 139 2HG1 ILE 16 HG11 ILE 16 -10.405 -1.386 1.622 140 1HG2 ILE 16 HG21 ILE 16 -10.082 2.278 0.969 141 2HG2 ILE 16 HG22 ILE 16 -8.579 1.810 1.766 142 3HG2 ILE 16 HG23 ILE 16 -9.812 2.696 2.662 143 1HD1 ILE 16 HD11 ILE 16 -10.555 0.799 -0.439 144 2HD1 ILE 16 HD12 ILE 16 -11.922 -0.107 0.208 145 3HD1 ILE 16 HD13 ILE 16 -10.687 -0.934 -0.741 146 H GLN 17 HN GLN 17 -11.792 0.720 4.902 147 HA GLN 17 HA GLN 17 -11.136 3.290 5.853 148 1HB GLN 17 HB2 GLN 17 -13.450 2.422 5.552 149 2HB GLN 17 HB1 GLN 17 -13.211 1.382 6.945 150 1HG GLN 17 HG2 GLN 17 -14.483 3.376 7.516 151 2HG GLN 17 HG1 GLN 17 -12.948 3.319 8.381 152 1HE2 GLN 17 HE21 GLN 17 -11.359 4.816 7.899 153 2HE2 GLN 17 HE22 GLN 17 -11.677 6.236 6.962 154 H ASP 18 HN ASP 18 -10.857 0.086 7.281 155 HA ASP 18 HA ASP 18 -10.174 0.973 9.902 156 1HB ASP 18 HB2 ASP 18 -11.036 -1.347 9.143 157 2HB ASP 18 HB1 ASP 18 -9.359 -1.682 8.734 158 H LEU 19 HN LEU 19 -8.318 0.061 7.035 159 HA LEU 19 HA LEU 19 -5.743 0.352 8.163 160 1HB LEU 19 HB2 LEU 19 -6.726 0.675 5.328 161 2HB LEU 19 HB1 LEU 19 -5.033 0.769 5.772 162 HG LEU 19 HG LEU 19 -6.779 -1.656 6.214 163 1HD1 LEU 19 HD11 LEU 19 -4.716 -1.110 4.081 164 2HD1 LEU 19 HD12 LEU 19 -6.458 -1.231 3.832 165 3HD1 LEU 19 HD13 LEU 19 -5.540 -2.645 4.352 166 1HD2 LEU 19 HD21 LEU 19 -4.926 -1.471 7.789 167 2HD2 LEU 19 HD22 LEU 19 -3.799 -1.258 6.450 168 3HD2 LEU 19 HD23 LEU 19 -4.655 -2.788 6.647 169 H LEU 20 HN LEU 20 -7.833 2.627 6.413 170 HA LEU 20 HA LEU 20 -6.092 4.842 6.585 171 1HB LEU 20 HB2 LEU 20 -9.105 4.772 6.380 172 2HB LEU 20 HB1 LEU 20 -8.120 6.203 6.146 173 HG LEU 20 HG LEU 20 -8.005 3.723 4.427 174 1HD1 LEU 20 HD11 LEU 20 -9.210 6.430 3.874 175 2HD1 LEU 20 HD12 LEU 20 -10.107 4.939 4.161 176 3HD1 LEU 20 HD13 LEU 20 -9.086 5.093 2.730 177 1HD2 LEU 20 HD21 LEU 20 -6.629 5.105 2.946 178 2HD2 LEU 20 HD22 LEU 20 -5.874 4.893 4.526 179 3HD2 LEU 20 HD23 LEU 20 -6.674 6.413 4.129 180 H ASP 21 HN ASP 21 -8.477 3.515 8.770 181 HA ASP 21 HA ASP 21 -8.655 5.657 10.580 182 1HB ASP 21 HB2 ASP 21 -10.198 3.705 10.551 183 2HB ASP 21 HB1 ASP 21 -8.899 2.706 11.198 184 H VAL 22 HN VAL 22 -6.375 2.993 10.294 185 HA VAL 22 HA VAL 22 -4.904 3.519 12.651 186 HB VAL 22 HB VAL 22 -3.963 2.300 10.046 187 1HG1 VAL 22 HG11 VAL 22 -2.087 3.078 11.393 188 2HG1 VAL 22 HG12 VAL 22 -2.154 1.316 11.361 189 3HG1 VAL 22 HG13 VAL 22 -2.708 2.192 12.787 190 1HG2 VAL 22 HG21 VAL 22 -4.310 0.153 11.178 191 2HG2 VAL 22 HG22 VAL 22 -5.811 1.067 11.027 192 3HG2 VAL 22 HG23 VAL 22 -4.968 1.004 12.575 193 H LEU 23 HN LEU 23 -4.613 4.668 9.323 194 HA LEU 23 HA LEU 23 -2.252 6.164 9.688 195 1HB LEU 23 HB2 LEU 23 -4.492 6.590 7.704 196 2HB LEU 23 HB1 LEU 23 -2.898 7.315 7.605 197 HG LEU 23 HG LEU 23 -3.499 4.358 7.428 198 1HD1 LEU 23 HD11 LEU 23 -2.638 6.328 5.315 199 2HD1 LEU 23 HD12 LEU 23 -4.230 5.581 5.455 200 3HD1 LEU 23 HD13 LEU 23 -2.819 4.588 5.094 201 1HD2 LEU 23 HD21 LEU 23 -0.897 5.858 7.141 202 2HD2 LEU 23 HD22 LEU 23 -1.135 4.140 6.824 203 3HD2 LEU 23 HD23 LEU 23 -1.334 4.768 8.458 204 H VAL 24 HN VAL 24 -5.648 6.921 10.193 205 HA VAL 24 HA VAL 24 -5.139 9.692 10.820 206 HB VAL 24 HB VAL 24 -7.615 8.022 11.309 207 1HG1 VAL 24 HG11 VAL 24 -7.560 9.947 12.780 208 2HG1 VAL 24 HG12 VAL 24 -8.760 10.197 11.511 209 3HG1 VAL 24 HG13 VAL 24 -7.196 11.005 11.419 210 1HG2 VAL 24 HG21 VAL 24 -8.503 9.154 9.321 211 2HG2 VAL 24 HG22 VAL 24 -7.069 8.202 8.937 212 3HG2 VAL 24 HG23 VAL 24 -6.949 9.954 9.089 213 H LYS 25 HN LYS 25 -5.508 6.684 12.567 214 HA LYS 25 HA LYS 25 -5.730 7.573 15.181 215 1HB LYS 25 HB2 LYS 25 -5.985 5.285 14.850 216 2HB LYS 25 HB1 LYS 25 -4.521 5.154 13.892 217 1HG LYS 25 HG2 LYS 25 -3.151 5.300 15.848 218 2HG LYS 25 HG1 LYS 25 -4.555 5.661 16.858 219 1HD LYS 25 HD2 LYS 25 -5.411 3.491 16.644 220 2HD LYS 25 HD1 LYS 25 -4.406 3.140 15.238 221 1HE LYS 25 HE2 LYS 25 -3.245 3.652 17.962 222 2HE LYS 25 HE1 LYS 25 -3.747 2.046 17.436 223 1HZ LYS 25 HZ1 LYS 25 -2.206 2.200 15.583 224 2HZ LYS 25 HZ2 LYS 25 -1.397 2.411 17.055 225 3HZ LYS 25 HZ3 LYS 25 -1.722 3.757 16.081 226 H GLU 26 HN GLU 26 -2.820 7.170 13.209 227 HA GLU 26 HA GLU 26 -1.143 8.282 15.309 228 1HB GLU 26 HB2 GLU 26 -0.389 7.659 12.447 229 2HB GLU 26 HB1 GLU 26 0.696 7.876 13.811 230 1HG GLU 26 HG2 GLU 26 -1.274 5.626 13.508 231 2HG GLU 26 HG1 GLU 26 0.444 5.535 13.123 232 H GLU 27 HN GLU 27 -3.012 9.335 12.672 233 HA GLU 27 HA GLU 27 -3.067 11.095 11.265 234 1HB GLU 27 HB2 GLU 27 -1.881 12.483 13.669 235 2HB GLU 27 HB1 GLU 27 -2.395 13.327 12.214 236 1HG GLU 27 HG2 GLU 27 -4.666 12.315 12.557 237 2HG GLU 27 HG1 GLU 27 -4.095 11.764 14.132 238 H VAL 28 HN VAL 28 -1.562 9.894 10.001 239 HA VAL 28 HA VAL 28 1.216 10.740 10.062 240 HB VAL 28 HB VAL 28 1.574 9.087 8.308 241 1HG1 VAL 28 HG11 VAL 28 -0.160 8.031 10.539 242 2HG1 VAL 28 HG12 VAL 28 1.577 8.325 10.621 243 3HG1 VAL 28 HG13 VAL 28 0.942 7.072 9.552 244 1HG2 VAL 28 HG21 VAL 28 -0.259 7.683 7.492 245 2HG2 VAL 28 HG22 VAL 28 -0.506 9.376 7.069 246 3HG2 VAL 28 HG23 VAL 28 -1.412 8.658 8.402 247 H THR 29 HN THR 29 2.285 11.734 8.328 248 HA THR 29 HA THR 29 0.714 13.529 6.724 249 HB THR 29 HB THR 29 3.002 14.123 5.766 250 HG1 THR 29 HG1 THR 29 4.796 13.221 6.780 251 1HG2 THR 29 HG21 THR 29 2.650 14.280 8.767 252 2HG2 THR 29 HG22 THR 29 1.992 15.410 7.583 253 3HG2 THR 29 HG23 THR 29 3.736 15.284 7.805 254 HA PRO 30 HA PRO 30 0.262 11.198 2.937 255 1HB PRO 30 HB2 PRO 30 1.797 13.420 1.653 256 2HB PRO 30 HB1 PRO 30 0.275 12.670 1.154 257 1HG PRO 30 HG2 PRO 30 0.274 15.046 2.345 258 2HG PRO 30 HG1 PRO 30 -0.971 13.843 2.727 259 1HD PRO 30 HD2 PRO 30 1.392 14.699 4.328 260 2HD PRO 30 HD1 PRO 30 -0.212 14.171 4.873 261 H ASP 31 HN ASP 31 3.423 12.778 3.374 262 HA ASP 31 HA ASP 31 4.928 10.979 1.808 263 1HB ASP 31 HB2 ASP 31 5.844 13.131 2.401 264 2HB ASP 31 HB1 ASP 31 5.734 12.758 4.118 265 H LEU 32 HN LEU 32 4.418 11.125 5.320 266 HA LEU 32 HA LEU 32 5.908 8.833 5.967 267 1HB LEU 32 HB2 LEU 32 5.266 10.513 7.619 268 2HB LEU 32 HB1 LEU 32 3.577 10.103 7.405 269 HG LEU 32 HG LEU 32 4.014 7.856 8.338 270 1HD1 LEU 32 HD11 LEU 32 6.359 7.633 7.712 271 2HD1 LEU 32 HD12 LEU 32 6.139 7.396 9.446 272 3HD1 LEU 32 HD13 LEU 32 6.790 8.920 8.842 273 1HD2 LEU 32 HD21 LEU 32 3.249 9.642 9.803 274 2HD2 LEU 32 HD22 LEU 32 4.916 10.146 10.080 275 3HD2 LEU 32 HD23 LEU 32 4.364 8.574 10.657 276 H ALA 33 HN ALA 33 2.506 9.285 5.154 277 HA ALA 33 HA ALA 33 1.586 6.708 5.744 278 1HB ALA 33 HB1 ALA 33 0.094 8.600 5.290 279 2HB ALA 33 HB2 ALA 33 -0.292 7.208 4.279 280 3HB ALA 33 HB3 ALA 33 0.587 8.576 3.596 281 H LEU 34 HN LEU 34 2.625 8.059 2.607 282 HA LEU 34 HA LEU 34 2.359 5.674 1.159 283 1HB LEU 34 HB2 LEU 34 4.200 8.016 0.674 284 2HB LEU 34 HB1 LEU 34 3.894 6.737 -0.487 285 HG LEU 34 HG LEU 34 1.858 8.710 0.564 286 1HD1 LEU 34 HD11 LEU 34 3.471 9.672 -1.010 287 2HD1 LEU 34 HD12 LEU 34 1.849 9.585 -1.693 288 3HD1 LEU 34 HD13 LEU 34 3.071 8.411 -2.179 289 1HD2 LEU 34 HD21 LEU 34 0.825 6.553 0.143 290 2HD2 LEU 34 HD22 LEU 34 1.562 6.491 -1.458 291 3HD2 LEU 34 HD23 LEU 34 0.347 7.717 -1.093 292 H MET 35 HN MET 35 5.103 7.011 2.947 293 HA MET 35 HA MET 35 7.004 5.107 2.146 294 1HB MET 35 HB2 MET 35 7.636 7.188 3.249 295 2HB MET 35 HB1 MET 35 6.841 6.670 4.729 296 1HG MET 35 HG2 MET 35 8.431 4.910 5.040 297 2HG MET 35 HG1 MET 35 9.153 5.221 3.463 298 1HE MET 35 HE1 MET 35 7.956 7.996 5.986 299 2HE MET 35 HE2 MET 35 9.399 8.204 6.978 300 3HE MET 35 HE3 MET 35 8.495 6.692 7.045 301 H CYS 36 HN CYS 36 4.800 5.132 4.943 302 HA CYS 36 HA CYS 36 5.726 2.667 6.002 303 1HB CYS 36 HB2 CYS 36 3.057 4.033 6.385 304 2HB CYS 36 HB1 CYS 36 3.677 2.712 7.370 305 HG CYS 36 HG CYS 36 4.725 5.942 7.251 306 H LEU 37 HN LEU 37 2.980 3.512 3.911 307 HA LEU 37 HA LEU 37 1.880 0.938 3.711 308 1HB LEU 37 HB2 LEU 37 1.822 3.249 1.773 309 2HB LEU 37 HB1 LEU 37 0.868 1.791 1.579 310 HG LEU 37 HG LEU 37 0.647 3.690 3.918 311 1HD1 LEU 37 HD11 LEU 37 -1.453 4.395 2.917 312 2HD1 LEU 37 HD12 LEU 37 -1.161 3.344 1.531 313 3HD1 LEU 37 HD13 LEU 37 -0.102 4.721 1.832 314 1HD2 LEU 37 HD21 LEU 37 -1.037 1.331 3.087 315 2HD2 LEU 37 HD22 LEU 37 -1.400 2.435 4.414 316 3HD2 LEU 37 HD23 LEU 37 0.033 1.409 4.488 317 H GLY 38 HN GLY 38 4.332 2.582 1.747 318 1HA GLY 38 HA2 GLY 38 4.595 0.680 -0.275 319 2HA GLY 38 HA1 GLY 38 5.874 1.761 0.258 320 H ASN 39 HN ASN 39 6.242 0.845 2.861 321 HA ASN 39 HA ASN 39 7.865 -1.446 2.383 322 1HB ASN 39 HB2 ASN 39 7.134 0.053 4.892 323 2HB ASN 39 HB1 ASN 39 8.108 -1.411 4.942 324 1HD2 ASN 39 HD21 ASN 39 7.987 1.927 3.987 325 2HD2 ASN 39 HD22 ASN 39 9.679 2.101 3.681 326 H ALA 40 HN ALA 40 4.708 -0.925 3.825 327 HA ALA 40 HA ALA 40 4.319 -3.518 4.858 328 1HB ALA 40 HB1 ALA 40 1.937 -2.969 4.850 329 2HB ALA 40 HB2 ALA 40 2.259 -1.561 3.838 330 3HB ALA 40 HB3 ALA 40 2.898 -1.632 5.481 331 H VAL 41 HN VAL 41 3.431 -2.079 1.724 332 HA VAL 41 HA VAL 41 2.279 -4.366 0.577 333 HB VAL 41 HB VAL 41 3.805 -2.168 -0.839 334 1HG1 VAL 41 HG11 VAL 41 1.793 -4.161 -1.873 335 2HG1 VAL 41 HG12 VAL 41 3.507 -4.078 -2.283 336 3HG1 VAL 41 HG13 VAL 41 2.416 -2.786 -2.785 337 1HG2 VAL 41 HG21 VAL 41 1.996 -1.264 0.514 338 2HG2 VAL 41 HG22 VAL 41 0.860 -2.392 -0.227 339 3HG2 VAL 41 HG23 VAL 41 1.621 -1.133 -1.205 340 H THR 42 HN THR 42 5.611 -3.149 0.441 341 HA THR 42 HA THR 42 6.682 -5.155 -1.184 342 HB THR 42 HB THR 42 8.121 -3.623 0.996 343 HG1 THR 42 HG1 THR 42 7.240 -2.136 -0.404 344 1HG2 THR 42 HG21 THR 42 9.155 -4.976 -1.500 345 2HG2 THR 42 HG22 THR 42 9.414 -5.522 0.157 346 3HG2 THR 42 HG23 THR 42 10.115 -3.999 -0.391 347 H ASN 43 HN ASN 43 6.208 -5.029 2.312 348 HA ASN 43 HA ASN 43 7.658 -7.322 3.015 349 1HB ASN 43 HB2 ASN 43 6.824 -5.729 4.676 350 2HB ASN 43 HB1 ASN 43 5.165 -6.181 4.298 351 1HD2 ASN 43 HD21 ASN 43 4.733 -6.834 6.389 352 2HD2 ASN 43 HD22 ASN 43 5.403 -8.269 7.076 353 H ILE 44 HN ILE 44 4.284 -6.939 2.008 354 HA ILE 44 HA ILE 44 3.573 -9.675 2.322 355 HB ILE 44 HB ILE 44 2.315 -7.589 0.527 356 1HG1 ILE 44 HG12 ILE 44 2.351 -6.843 2.848 357 2HG1 ILE 44 HG11 ILE 44 0.709 -7.269 2.377 358 1HG2 ILE 44 HG21 ILE 44 0.287 -8.989 0.711 359 2HG2 ILE 44 HG22 ILE 44 1.240 -10.207 1.563 360 3HG2 ILE 44 HG23 ILE 44 1.619 -9.804 -0.113 361 1HD1 ILE 44 HD11 ILE 44 0.954 -9.420 3.530 362 2HD1 ILE 44 HD12 ILE 44 1.183 -8.047 4.612 363 3HD1 ILE 44 HD13 ILE 44 2.580 -8.952 4.031 364 H ILE 45 HN ILE 45 4.696 -7.735 -0.404 365 HA ILE 45 HA ILE 45 4.475 -9.783 -2.356 366 HB ILE 45 HB ILE 45 6.171 -7.278 -2.363 367 1HG1 ILE 45 HG12 ILE 45 3.424 -7.839 -3.503 368 2HG1 ILE 45 HG11 ILE 45 3.782 -6.814 -2.117 369 1HG2 ILE 45 HG21 ILE 45 5.394 -9.111 -4.623 370 2HG2 ILE 45 HG22 ILE 45 7.019 -8.820 -4.002 371 3HG2 ILE 45 HG23 ILE 45 6.147 -7.529 -4.824 372 1HD1 ILE 45 HD11 ILE 45 4.637 -6.308 -4.957 373 2HD1 ILE 45 HD12 ILE 45 5.017 -5.285 -3.572 374 3HD1 ILE 45 HD13 ILE 45 3.343 -5.480 -4.092 375 H ALA 46 HN ALA 46 6.926 -8.994 -0.015 376 HA ALA 46 HA ALA 46 9.031 -10.451 -1.318 377 1HB ALA 46 HB1 ALA 46 10.297 -10.079 0.721 378 2HB ALA 46 HB2 ALA 46 8.841 -9.536 1.552 379 3HB ALA 46 HB3 ALA 46 9.499 -8.588 0.220 380 H GLN 47 HN GLN 47 6.341 -11.330 0.567 381 HA GLN 47 HA GLN 47 7.562 -13.727 1.650 382 1HB GLN 47 HB2 GLN 47 4.687 -12.788 1.733 383 2HB GLN 47 HB1 GLN 47 5.334 -14.169 2.610 384 1HG GLN 47 HG2 GLN 47 6.828 -12.690 3.846 385 2HG GLN 47 HG1 GLN 47 6.184 -11.306 2.967 386 1HE2 GLN 47 HE21 GLN 47 5.441 -10.280 4.773 387 2HE2 GLN 47 HE22 GLN 47 4.092 -10.852 5.695 388 H VAL 48 HN VAL 48 5.414 -12.816 -0.961 389 HA VAL 48 HA VAL 48 4.681 -15.486 -1.656 390 HB VAL 48 HB VAL 48 3.790 -14.557 -3.719 391 1HG1 VAL 48 HG11 VAL 48 3.187 -12.808 -1.340 392 2HG1 VAL 48 HG12 VAL 48 2.443 -14.366 -1.699 393 3HG1 VAL 48 HG13 VAL 48 2.169 -12.991 -2.769 394 1HG2 VAL 48 HG21 VAL 48 5.024 -11.943 -2.872 395 2HG2 VAL 48 HG22 VAL 48 3.957 -12.187 -4.255 396 3HG2 VAL 48 HG23 VAL 48 5.549 -12.945 -4.225 397 HA PRO 49 HA PRO 49 8.201 -16.843 -3.991 398 1HB PRO 49 HB2 PRO 49 6.244 -17.882 -5.965 399 2HB PRO 49 HB1 PRO 49 7.508 -18.741 -5.079 400 1HG PRO 49 HG2 PRO 49 4.939 -19.043 -4.430 401 2HG PRO 49 HG1 PRO 49 6.199 -18.984 -3.183 402 1HD PRO 49 HD2 PRO 49 4.273 -16.859 -4.032 403 2HD PRO 49 HD1 PRO 49 4.838 -17.282 -2.403 404 H GLU 50 HN GLU 50 9.401 -16.166 -5.777 405 HA GLU 50 HA GLU 50 8.613 -13.650 -6.806 406 1HB GLU 50 HB2 GLU 50 10.982 -14.471 -6.321 407 2HB GLU 50 HB1 GLU 50 10.902 -15.272 -7.886 408 1HG GLU 50 HG2 GLU 50 10.790 -13.258 -9.051 409 2HG GLU 50 HG1 GLU 50 10.311 -12.350 -7.618 410 H SER 51 HN SER 51 7.855 -16.739 -7.805 411 HA SER 51 HA SER 51 7.630 -16.492 -10.583 412 1HB SER 51 HB2 SER 51 5.672 -17.987 -8.842 413 2HB SER 51 HB1 SER 51 6.243 -18.402 -10.461 414 HG SER 51 HG SER 51 8.260 -18.883 -9.608 415 H LYS 52 HN LYS 52 5.656 -15.270 -7.968 416 HA LYS 52 HA LYS 52 3.765 -14.108 -9.920 417 1HB LYS 52 HB2 LYS 52 3.443 -14.615 -6.951 418 2HB LYS 52 HB1 LYS 52 2.261 -13.785 -7.951 419 1HG LYS 52 HG2 LYS 52 1.842 -15.770 -9.212 420 2HG LYS 52 HG1 LYS 52 3.160 -16.618 -8.401 421 1HD LYS 52 HD2 LYS 52 1.030 -17.289 -7.449 422 2HD LYS 52 HD1 LYS 52 1.968 -16.387 -6.260 423 1HE LYS 52 HE2 LYS 52 -0.265 -15.603 -6.112 424 2HE LYS 52 HE1 LYS 52 0.664 -14.346 -6.925 425 1HZ LYS 52 HZ1 LYS 52 -1.392 -14.625 -8.067 426 2HZ LYS 52 HZ2 LYS 52 -1.184 -16.302 -8.184 427 3HZ LYS 52 HZ3 LYS 52 -0.175 -15.264 -9.064 428 H ARG 53 HN ARG 53 6.282 -13.467 -7.784 429 HA ARG 53 HA ARG 53 5.498 -11.168 -6.436 430 1HB ARG 53 HB2 ARG 53 7.428 -12.646 -5.904 431 2HB ARG 53 HB1 ARG 53 8.294 -11.944 -7.262 432 1HG ARG 53 HG2 ARG 53 8.229 -9.762 -6.184 433 2HG ARG 53 HG1 ARG 53 7.343 -10.466 -4.827 434 1HD ARG 53 HD2 ARG 53 10.095 -11.311 -5.722 435 2HD ARG 53 HD1 ARG 53 9.762 -10.224 -4.375 436 HE ARG 53 HE ARG 53 8.316 -12.405 -3.725 437 1HH1 ARG 53 HH11 ARG 53 11.633 -12.120 -4.853 438 2HH1 ARG 53 HH12 ARG 53 12.214 -13.395 -3.833 439 1HH2 ARG 53 HH21 ARG 53 9.089 -14.114 -2.429 440 2HH2 ARG 53 HH22 ARG 53 10.778 -14.528 -2.453 441 H VAL 54 HN VAL 54 7.103 -11.455 -9.591 442 HA VAL 54 HA VAL 54 7.560 -8.613 -9.756 443 HB VAL 54 HB VAL 54 7.799 -10.695 -11.939 444 1HG1 VAL 54 HG11 VAL 54 9.271 -9.069 -13.027 445 2HG1 VAL 54 HG12 VAL 54 8.958 -7.915 -11.729 446 3HG1 VAL 54 HG13 VAL 54 7.650 -8.415 -12.799 447 1HG2 VAL 54 HG21 VAL 54 10.188 -10.716 -11.417 448 2HG2 VAL 54 HG22 VAL 54 9.224 -11.234 -10.033 449 3HG2 VAL 54 HG23 VAL 54 9.905 -9.609 -10.073 450 H ALA 55 HN ALA 55 5.222 -10.919 -10.980 451 HA ALA 55 HA ALA 55 3.957 -9.144 -12.805 452 1HB ALA 55 HB1 ALA 55 2.885 -11.639 -11.495 453 2HB ALA 55 HB2 ALA 55 3.772 -11.565 -13.017 454 3HB ALA 55 HB3 ALA 55 2.180 -10.818 -12.888 455 H VAL 56 HN VAL 56 3.307 -10.062 -9.438 456 HA VAL 56 HA VAL 56 0.851 -8.658 -9.280 457 HB VAL 56 HB VAL 56 1.064 -8.878 -6.812 458 1HG1 VAL 56 HG11 VAL 56 1.560 -11.367 -8.431 459 2HG1 VAL 56 HG12 VAL 56 -0.002 -10.624 -8.087 460 3HG1 VAL 56 HG13 VAL 56 0.943 -11.339 -6.780 461 1HG2 VAL 56 HG21 VAL 56 3.498 -8.705 -6.627 462 2HG2 VAL 56 HG22 VAL 56 3.667 -10.263 -7.440 463 3HG2 VAL 56 HG23 VAL 56 2.890 -10.173 -5.860 464 H VAL 57 HN VAL 57 4.192 -7.675 -8.626 465 HA VAL 57 HA VAL 57 3.397 -5.234 -7.356 466 HB VAL 57 HB VAL 57 5.589 -6.228 -6.857 467 1HG1 VAL 57 HG11 VAL 57 6.157 -7.075 -9.074 468 2HG1 VAL 57 HG12 VAL 57 7.441 -6.047 -8.435 469 3HG1 VAL 57 HG13 VAL 57 6.341 -5.423 -9.665 470 1HG2 VAL 57 HG21 VAL 57 6.915 -4.165 -6.954 471 2HG2 VAL 57 HG22 VAL 57 5.254 -3.862 -6.442 472 3HG2 VAL 57 HG23 VAL 57 5.751 -3.481 -8.091 473 H ASP 58 HN ASP 58 4.243 -6.163 -10.661 474 HA ASP 58 HA ASP 58 4.358 -3.514 -11.679 475 1HB ASP 58 HB2 ASP 58 5.296 -5.434 -12.905 476 2HB ASP 58 HB1 ASP 58 3.669 -6.062 -13.145 477 H ASN 59 HN ASN 59 1.770 -5.925 -11.486 478 HA ASN 59 HA ASN 59 -0.221 -4.323 -12.697 479 1HB ASN 59 HB2 ASN 59 -0.304 -6.719 -10.885 480 2HB ASN 59 HB1 ASN 59 -1.790 -5.887 -11.342 481 1HD2 ASN 59 HD21 ASN 59 -0.784 -8.597 -11.981 482 2HD2 ASN 59 HD22 ASN 59 -0.806 -8.690 -13.713 483 H PHE 60 HN PHE 60 0.797 -4.724 -9.339 484 HA PHE 60 HA PHE 60 -1.130 -3.156 -8.065 485 1HB PHE 60 HB2 PHE 60 0.674 -4.556 -6.973 486 2HB PHE 60 HB1 PHE 60 1.809 -3.265 -7.365 487 HD1 PHE 60 HD1 PHE 60 -1.226 -4.063 -5.406 488 HD2 PHE 60 HD2 PHE 60 2.003 -1.363 -6.021 489 HE1 PHE 60 HE1 PHE 60 -1.783 -2.919 -3.299 490 HE2 PHE 60 HE2 PHE 60 1.453 -0.216 -3.918 491 HZ PHE 60 HZ PHE 60 -0.441 -0.992 -2.553 492 H THR 61 HN THR 61 2.074 -2.221 -9.263 493 HA THR 61 HA THR 61 1.782 0.523 -8.675 494 HB THR 61 HB THR 61 3.780 0.769 -10.221 495 HG1 THR 61 HG1 THR 61 3.698 -2.081 -10.216 496 1HG2 THR 61 HG21 THR 61 3.937 -1.282 -8.007 497 2HG2 THR 61 HG22 THR 61 4.036 0.468 -7.808 498 3HG2 THR 61 HG23 THR 61 5.304 -0.395 -8.680 499 H LYS 62 HN LYS 62 1.323 -1.347 -11.669 500 HA LYS 62 HA LYS 62 0.781 0.787 -13.395 501 1HB LYS 62 HB2 LYS 62 1.072 -1.662 -13.991 502 2HB LYS 62 HB1 LYS 62 -0.597 -1.895 -13.491 503 1HG LYS 62 HG2 LYS 62 -1.215 -0.121 -15.182 504 2HG LYS 62 HG1 LYS 62 0.439 -0.257 -15.783 505 1HD LYS 62 HD2 LYS 62 -1.650 -2.427 -15.677 506 2HD LYS 62 HD1 LYS 62 -0.978 -1.660 -17.117 507 1HE LYS 62 HE2 LYS 62 1.225 -2.596 -16.571 508 2HE LYS 62 HE1 LYS 62 0.536 -3.377 -15.147 509 1HZ LYS 62 HZ1 LYS 62 -1.025 -4.514 -16.730 510 2HZ LYS 62 HZ2 LYS 62 0.595 -4.998 -16.837 511 3HZ LYS 62 HZ3 LYS 62 -0.053 -3.942 -17.996 512 H ALA 63 HN ALA 63 -1.395 -1.059 -11.289 513 HA ALA 63 HA ALA 63 -3.795 0.182 -12.087 514 1HB ALA 63 HB1 ALA 63 -3.130 -1.086 -9.434 515 2HB ALA 63 HB2 ALA 63 -3.735 -1.931 -10.858 516 3HB ALA 63 HB3 ALA 63 -4.749 -0.740 -10.042 517 H LEU 64 HN LEU 64 -1.515 0.911 -9.476 518 HA LEU 64 HA LEU 64 -2.858 3.012 -8.250 519 1HB LEU 64 HB2 LEU 64 0.063 2.451 -8.665 520 2HB LEU 64 HB1 LEU 64 -0.467 3.893 -7.822 521 HG LEU 64 HG LEU 64 -1.212 1.099 -6.962 522 1HD1 LEU 64 HD11 LEU 64 0.497 1.340 -5.243 523 2HD1 LEU 64 HD12 LEU 64 0.990 2.884 -5.939 524 3HD1 LEU 64 HD13 LEU 64 1.210 1.393 -6.855 525 1HD2 LEU 64 HD21 LEU 64 -1.761 2.223 -4.849 526 2HD2 LEU 64 HD22 LEU 64 -2.730 2.837 -6.190 527 3HD2 LEU 64 HD23 LEU 64 -1.366 3.780 -5.584 528 H LYS 65 HN LYS 65 -0.552 3.140 -10.947 529 HA LYS 65 HA LYS 65 -0.529 5.898 -11.309 530 1HB LYS 65 HB2 LYS 65 -0.163 3.689 -13.334 531 2HB LYS 65 HB1 LYS 65 0.190 5.381 -13.650 532 1HG LYS 65 HG2 LYS 65 1.891 5.374 -11.915 533 2HG LYS 65 HG1 LYS 65 1.515 3.689 -11.543 534 1HD LYS 65 HD2 LYS 65 2.198 3.019 -13.773 535 2HD LYS 65 HD1 LYS 65 2.498 4.700 -14.209 536 1HE LYS 65 HE2 LYS 65 3.951 3.145 -12.071 537 2HE LYS 65 HE1 LYS 65 4.573 3.513 -13.678 538 1HZ LYS 65 HZ1 LYS 65 4.230 5.929 -13.043 539 2HZ LYS 65 HZ2 LYS 65 5.499 5.112 -12.272 540 3HZ LYS 65 HZ3 LYS 65 4.047 5.382 -11.449 541 H GLN 66 HN GLN 66 -2.651 3.472 -12.835 542 HA GLN 66 HA GLN 66 -3.917 5.467 -14.461 543 1HB GLN 66 HB2 GLN 66 -5.411 3.621 -15.174 544 2HB GLN 66 HB1 GLN 66 -3.703 3.252 -15.353 545 1HG GLN 66 HG2 GLN 66 -4.098 1.359 -14.288 546 2HG GLN 66 HG1 GLN 66 -4.354 2.314 -12.826 547 1HE2 GLN 66 HE21 GLN 66 -5.873 0.592 -15.430 548 2HE2 GLN 66 HE22 GLN 66 -7.461 0.562 -14.749 549 H SER 67 HN SER 67 -4.470 4.260 -11.276 550 HA SER 67 HA SER 67 -7.214 5.214 -11.207 551 1HB SER 67 HB2 SER 67 -5.441 4.147 -8.996 552 2HB SER 67 HB1 SER 67 -7.157 4.522 -8.837 553 HG SER 67 HG SER 67 -5.950 2.534 -10.461 554 H VAL 68 HN VAL 68 -4.057 6.384 -10.587 555 HA VAL 68 HA VAL 68 -4.990 8.584 -8.921 556 HB VAL 68 HB VAL 68 -2.237 7.673 -9.748 557 1HG1 VAL 68 HG11 VAL 68 -1.333 9.484 -8.358 558 2HG1 VAL 68 HG12 VAL 68 -2.962 10.127 -8.150 559 3HG1 VAL 68 HG13 VAL 68 -2.221 10.104 -9.750 560 1HG2 VAL 68 HG21 VAL 68 -3.283 6.394 -7.970 561 2HG2 VAL 68 HG22 VAL 68 -3.627 7.876 -7.076 562 3HG2 VAL 68 HG23 VAL 68 -1.958 7.361 -7.322 563 H LEU 69 HN LEU 69 -3.314 8.118 -12.039 564 HA LEU 69 HA LEU 69 -3.151 10.854 -12.687 565 1HB LEU 69 HB2 LEU 69 -2.920 8.312 -14.218 566 2HB LEU 69 HB1 LEU 69 -3.140 9.795 -15.124 567 HG LEU 69 HG LEU 69 -1.108 10.732 -14.131 568 1HD1 LEU 69 HD11 LEU 69 -1.178 9.593 -11.970 569 2HD1 LEU 69 HD12 LEU 69 0.380 9.378 -12.770 570 3HD1 LEU 69 HD13 LEU 69 -0.799 8.065 -12.764 571 1HD2 LEU 69 HD21 LEU 69 -0.945 9.481 -16.214 572 2HD2 LEU 69 HD22 LEU 69 -0.696 7.989 -15.306 573 3HD2 LEU 69 HD23 LEU 69 0.507 9.275 -15.233 574 H GLU 70 HN GLU 70 -5.561 8.389 -13.550 575 HA GLU 70 HA GLU 70 -7.282 10.479 -14.649 576 1HB GLU 70 HB2 GLU 70 -7.818 7.509 -14.460 577 2HB GLU 70 HB1 GLU 70 -8.738 8.687 -15.386 578 1HG GLU 70 HG2 GLU 70 -6.604 9.110 -16.682 579 2HG GLU 70 HG1 GLU 70 -5.974 7.656 -15.907 580 H HIS 71 HN HIS 71 -7.851 11.605 -12.754 581 HA HIS 71 HA HIS 71 -10.006 10.406 -11.291 582 1HB HIS 71 HB2 HIS 71 -7.619 9.772 -10.232 583 2HB HIS 71 HB1 HIS 71 -7.865 11.331 -9.454 584 HD1 HIS 71 HD1 HIS 71 -8.335 7.945 -8.771 585 HD2 HIS 71 HD2 HIS 71 -10.759 11.295 -8.334 586 HE1 HIS 71 HE1 HIS 71 -10.060 7.314 -7.053 587 HE2 HIS 71 HE2 HIS 71 -11.659 9.258 -7.020 588 H HIS 72 HN HIS 72 -7.601 12.931 -10.573 589 HA HIS 72 HA HIS 72 -7.790 15.099 -9.962 590 1HB HIS 72 HB2 HIS 72 -8.810 15.399 -12.206 591 2HB HIS 72 HB1 HIS 72 -10.392 15.058 -11.519 592 HD1 HIS 72 HD1 HIS 72 -7.663 17.683 -11.440 593 HD2 HIS 72 HD2 HIS 72 -11.658 17.206 -10.364 594 HE1 HIS 72 HE1 HIS 72 -8.490 19.983 -10.836 595 HE2 HIS 72 HE2 HIS 72 -10.949 19.694 -10.362 596 H HIS 73 HN HIS 73 -11.228 14.318 -9.991 597 HA HIS 73 HA HIS 73 -11.554 13.496 -7.369 598 1HB HIS 73 HB2 HIS 73 -10.915 16.148 -7.243 599 2HB HIS 73 HB1 HIS 73 -12.667 16.245 -7.402 600 HD1 HIS 73 HD1 HIS 73 -13.702 16.474 -5.143 601 HD2 HIS 73 HD2 HIS 73 -10.368 13.981 -5.100 602 HE1 HIS 73 HE1 HIS 73 -13.460 15.697 -2.764 603 HE2 HIS 73 HE2 HIS 73 -11.435 14.191 -2.755 604 H HIS 74 HN HIS 74 -13.344 16.042 -9.022 605 HA HIS 74 HA HIS 74 -14.967 14.276 -10.561 606 1HB HIS 74 HB2 HIS 74 -16.051 15.417 -8.010 607 2HB HIS 74 HB1 HIS 74 -17.113 15.355 -9.413 608 HD1 HIS 74 HD1 HIS 74 -16.284 13.461 -6.547 609 HD2 HIS 74 HD2 HIS 74 -17.055 12.516 -10.519 610 HE1 HIS 74 HE1 HIS 74 -16.918 11.025 -6.555 611 HE2 HIS 74 HE2 HIS 74 -17.514 10.510 -8.952 612 H HIS 75 HN HIS 75 -17.046 15.933 -11.190 613 HA HIS 75 HA HIS 75 -15.768 18.526 -11.753 614 1HB HIS 75 HB2 HIS 75 -17.951 17.025 -13.182 615 2HB HIS 75 HB1 HIS 75 -17.724 18.755 -13.416 616 HD1 HIS 75 HD1 HIS 75 -17.066 15.961 -15.236 617 HD2 HIS 75 HD2 HIS 75 -14.555 18.961 -13.826 618 HE1 HIS 75 HE1 HIS 75 -15.034 15.899 -16.717 619 HE2 HIS 75 HE2 HIS 75 -13.463 17.612 -15.747 620 H HIS 76 HN HIS 76 -18.421 16.892 -10.259 621 HA HIS 76 HA HIS 76 -19.600 19.424 -9.405 622 1HB HIS 76 HB2 HIS 76 -20.503 16.563 -8.972 623 2HB HIS 76 HB1 HIS 76 -21.361 17.985 -8.386 624 HD1 HIS 76 HD1 HIS 76 -21.979 15.663 -10.772 625 HD2 HIS 76 HD2 HIS 76 -21.468 19.783 -11.053 626 HE1 HIS 76 HE1 HIS 76 -23.110 16.349 -12.913 627 HE2 HIS 76 HE2 HIS 76 -22.665 18.821 -13.130 628 1H MET 1 HT1 MET 1 5.246 13.637 20.850 629 2H MET 1 HT2 MET 1 6.054 13.004 19.502 630 3H MET 1 HT3 MET 1 4.362 12.985 19.558 631 HA MET 1 HA MET 1 4.336 15.415 19.570 632 1HB MET 1 HB2 MET 1 7.303 15.049 19.088 633 2HB MET 1 HB1 MET 1 6.437 16.567 18.885 634 1HG MET 1 HG2 MET 1 5.872 16.573 21.250 635 2HG MET 1 HG1 MET 1 6.700 15.033 21.460 636 1HE MET 1 HE1 MET 1 7.068 18.866 20.801 637 2HE MET 1 HE2 MET 1 7.760 18.208 19.317 638 3HE MET 1 HE3 MET 1 8.793 19.034 20.487 639 HA PRO 2 HA PRO 2 3.508 14.195 15.384 640 1HB PRO 2 HB2 PRO 2 2.246 16.797 15.035 641 2HB PRO 2 HB1 PRO 2 1.502 15.198 15.099 642 1HG PRO 2 HG2 PRO 2 1.192 17.052 17.061 643 2HG PRO 2 HG1 PRO 2 1.152 15.305 17.360 644 1HD PRO 2 HD2 PRO 2 3.376 17.256 17.816 645 2HD PRO 2 HD1 PRO 2 2.841 15.897 18.827 646 H ILE 3 HN ILE 3 5.539 16.684 16.344 647 HA ILE 3 HA ILE 3 6.013 18.034 13.924 648 HB ILE 3 HB ILE 3 7.873 17.567 16.259 649 1HG1 ILE 3 HG12 ILE 3 6.056 19.878 15.533 650 2HG1 ILE 3 HG11 ILE 3 5.814 18.741 16.855 651 1HG2 ILE 3 HG21 ILE 3 9.124 19.502 15.404 652 2HG2 ILE 3 HG22 ILE 3 8.085 19.530 13.979 653 3HG2 ILE 3 HG23 ILE 3 9.144 18.150 14.272 654 1HD1 ILE 3 HD11 ILE 3 7.822 19.574 17.948 655 2HD1 ILE 3 HD12 ILE 3 6.668 20.874 17.647 656 3HD1 ILE 3 HD13 ILE 3 8.086 20.698 16.614 657 H VAL 4 HN VAL 4 7.164 17.535 12.170 658 HA VAL 4 HA VAL 4 7.728 14.802 11.696 659 HB VAL 4 HB VAL 4 8.390 17.196 9.977 660 1HG1 VAL 4 HG11 VAL 4 8.197 14.270 9.276 661 2HG1 VAL 4 HG12 VAL 4 9.668 15.242 9.318 662 3HG1 VAL 4 HG13 VAL 4 8.417 15.587 8.124 663 1HG2 VAL 4 HG21 VAL 4 6.011 17.062 10.489 664 2HG2 VAL 4 HG22 VAL 4 5.980 15.380 9.962 665 3HG2 VAL 4 HG23 VAL 4 6.309 16.662 8.798 666 H SER 5 HN SER 5 9.978 17.535 11.196 667 HA SER 5 HA SER 5 12.232 17.623 11.101 668 1HB SER 5 HB2 SER 5 12.030 15.644 13.384 669 2HB SER 5 HB1 SER 5 13.490 16.528 12.933 670 HG SER 5 HG SER 5 11.405 18.221 13.213 671 H LYS 6 HN LYS 6 12.494 14.283 12.165 672 HA LYS 6 HA LYS 6 12.872 13.413 9.380 673 1HB LYS 6 HB2 LYS 6 14.728 12.886 11.698 674 2HB LYS 6 HB1 LYS 6 14.719 11.894 10.248 675 1HG LYS 6 HG2 LYS 6 15.119 14.075 8.977 676 2HG LYS 6 HG1 LYS 6 15.529 14.762 10.551 677 1HD LYS 6 HD2 LYS 6 17.546 13.994 9.463 678 2HD LYS 6 HD1 LYS 6 17.204 12.960 10.852 679 1HE LYS 6 HE2 LYS 6 16.109 11.350 9.289 680 2HE LYS 6 HE1 LYS 6 16.665 12.348 7.949 681 1HZ LYS 6 HZ1 LYS 6 18.161 10.508 8.321 682 2HZ LYS 6 HZ2 LYS 6 18.386 10.971 9.936 683 3HZ LYS 6 HZ3 LYS 6 18.953 11.965 8.686 684 H TYR 7 HN TYR 7 10.797 13.181 11.577 685 HA TYR 7 HA TYR 7 9.324 11.652 12.383 686 1HB TYR 7 HB2 TYR 7 10.627 9.752 10.412 687 2HB TYR 7 HB1 TYR 7 9.104 9.481 11.243 688 HD1 TYR 7 HD2 TYR 7 7.182 11.126 10.754 689 HD2 TYR 7 HD1 TYR 7 10.676 10.827 8.343 690 HE1 TYR 7 HE2 TYR 7 5.977 12.175 8.883 691 HE2 TYR 7 HE1 TYR 7 9.479 11.872 6.467 692 HH TYR 7 HH TYR 7 7.268 12.249 5.678 693 H SER 8 HN SER 8 9.597 8.922 12.888 694 HA SER 8 HA SER 8 12.121 8.544 14.280 695 1HB SER 8 HB2 SER 8 10.797 7.692 16.302 696 2HB SER 8 HB1 SER 8 10.841 9.442 16.073 697 HG SER 8 HG SER 8 8.763 9.442 15.732 698 H ASN 9 HN ASN 9 12.852 6.493 14.015 699 HA ASN 9 HA ASN 9 11.472 4.770 12.261 700 1HB ASN 9 HB2 ASN 9 13.239 3.116 12.728 701 2HB ASN 9 HB1 ASN 9 13.899 4.706 12.385 702 1HD2 ASN 9 HD21 ASN 9 15.831 4.303 13.383 703 2HD2 ASN 9 HD22 ASN 9 15.995 4.140 15.095 704 H GLU 10 HN GLU 10 11.386 5.127 15.670 705 HA GLU 10 HA GLU 10 10.249 2.678 16.422 706 1HB GLU 10 HB2 GLU 10 11.112 4.395 17.987 707 2HB GLU 10 HB1 GLU 10 9.767 5.441 17.567 708 1HG GLU 10 HG2 GLU 10 9.273 2.719 18.689 709 2HG GLU 10 HG1 GLU 10 9.698 4.061 19.747 710 H ARG 11 HN ARG 11 8.684 5.756 15.528 711 HA ARG 11 HA ARG 11 6.061 4.659 15.629 712 1HB ARG 11 HB2 ARG 11 6.371 7.022 16.025 713 2HB ARG 11 HB1 ARG 11 7.100 7.235 14.437 714 1HG ARG 11 HG2 ARG 11 4.981 6.650 13.379 715 2HG ARG 11 HG1 ARG 11 4.249 6.427 14.967 716 1HD ARG 11 HD2 ARG 11 4.433 8.733 15.477 717 2HD ARG 11 HD1 ARG 11 5.504 9.021 14.106 718 HE ARG 11 HE ARG 11 3.197 8.062 13.000 719 1HH1 ARG 11 HH11 ARG 11 3.916 10.742 15.149 720 2HH1 ARG 11 HH12 ARG 11 2.693 11.767 14.465 721 1HH2 ARG 11 HH21 ARG 11 1.592 9.424 12.109 722 2HH2 ARG 11 HH22 ARG 11 1.348 11.012 12.764 723 H VAL 12 HN VAL 12 8.387 5.226 13.025 724 HA VAL 12 HA VAL 12 6.664 4.822 10.855 725 HB VAL 12 HB VAL 12 9.617 4.196 11.045 726 1HG1 VAL 12 HG11 VAL 12 9.618 4.311 8.594 727 2HG1 VAL 12 HG12 VAL 12 7.864 4.498 8.605 728 3HG1 VAL 12 HG13 VAL 12 8.594 2.999 9.180 729 1HG2 VAL 12 HG21 VAL 12 8.153 6.621 10.007 730 2HG2 VAL 12 HG22 VAL 12 9.895 6.360 9.919 731 3HG2 VAL 12 HG23 VAL 12 9.109 6.532 11.488 732 H GLU 13 HN GLU 13 8.783 2.451 12.490 733 HA GLU 13 HA GLU 13 7.748 0.264 10.976 734 1HB GLU 13 HB2 GLU 13 10.025 0.360 12.068 735 2HB GLU 13 HB1 GLU 13 9.219 0.130 13.613 736 1HG GLU 13 HG2 GLU 13 8.502 -2.045 13.024 737 2HG GLU 13 HG1 GLU 13 8.936 -1.803 11.333 738 H LYS 14 HN LYS 14 6.881 1.842 13.940 739 HA LYS 14 HA LYS 14 5.142 -0.046 15.069 740 1HB LYS 14 HB2 LYS 14 5.854 1.996 16.223 741 2HB LYS 14 HB1 LYS 14 4.974 2.973 15.060 742 1HG LYS 14 HG2 LYS 14 2.868 1.943 15.851 743 2HG LYS 14 HG1 LYS 14 3.797 1.076 17.078 744 1HD LYS 14 HD2 LYS 14 4.619 3.264 17.923 745 2HD LYS 14 HD1 LYS 14 3.545 4.067 16.776 746 1HE LYS 14 HE2 LYS 14 1.616 3.046 17.839 747 2HE LYS 14 HE1 LYS 14 2.669 2.176 18.955 748 1HZ LYS 14 HZ1 LYS 14 1.896 4.058 20.110 749 2HZ LYS 14 HZ2 LYS 14 2.187 5.097 18.804 750 3HZ LYS 14 HZ3 LYS 14 3.489 4.437 19.667 751 H ILE 15 HN ILE 15 4.497 2.593 12.768 752 HA ILE 15 HA ILE 15 1.761 2.107 12.401 753 HB ILE 15 HB ILE 15 3.735 3.252 10.416 754 1HG1 ILE 15 HG12 ILE 15 1.861 4.683 12.307 755 2HG1 ILE 15 HG11 ILE 15 3.568 4.414 12.637 756 1HG2 ILE 15 HG21 ILE 15 0.727 3.454 10.493 757 2HG2 ILE 15 HG22 ILE 15 1.673 2.519 9.335 758 3HG2 ILE 15 HG23 ILE 15 1.789 4.279 9.352 759 1HD1 ILE 15 HD11 ILE 15 3.147 6.660 11.809 760 2HD1 ILE 15 HD12 ILE 15 2.452 5.994 10.331 761 3HD1 ILE 15 HD13 ILE 15 4.161 5.748 10.692 762 H ILE 16 HN ILE 16 4.577 0.920 10.587 763 HA ILE 16 HA ILE 16 3.232 -0.607 8.681 764 HB ILE 16 HB ILE 16 5.893 -1.238 9.979 765 1HG1 ILE 16 HG12 ILE 16 5.286 0.300 7.441 766 2HG1 ILE 16 HG11 ILE 16 5.729 1.039 8.975 767 1HG2 ILE 16 HG21 ILE 16 4.984 -3.151 8.777 768 2HG2 ILE 16 HG22 ILE 16 6.363 -2.476 7.909 769 3HG2 ILE 16 HG23 ILE 16 4.723 -2.149 7.349 770 1HD1 ILE 16 HD11 ILE 16 7.623 0.932 7.466 771 2HD1 ILE 16 HD12 ILE 16 7.447 -0.819 7.348 772 3HD1 ILE 16 HD13 ILE 16 7.896 -0.078 8.885 773 H GLN 17 HN GLN 17 4.341 -1.486 11.929 774 HA GLN 17 HA GLN 17 3.483 -4.165 11.896 775 1HB GLN 17 HB2 GLN 17 5.048 -3.331 13.568 776 2HB GLN 17 HB1 GLN 17 3.821 -2.259 14.222 777 1HG GLN 17 HG2 GLN 17 4.090 -4.180 15.645 778 2HG GLN 17 HG1 GLN 17 2.494 -4.203 14.899 779 1HE2 GLN 17 HE21 GLN 17 1.994 -5.793 13.415 780 2HE2 GLN 17 HE22 GLN 17 2.986 -7.195 13.178 781 H ASP 18 HN ASP 18 1.877 -1.211 13.024 782 HA ASP 18 HA ASP 18 -0.420 -2.475 14.066 783 1HB ASP 18 HB2 ASP 18 0.450 -0.054 14.414 784 2HB ASP 18 HB1 ASP 18 -0.441 0.319 12.943 785 H LEU 19 HN LEU 19 0.374 -1.254 10.862 786 HA LEU 19 HA LEU 19 -2.172 -1.672 9.688 787 1HB LEU 19 HB2 LEU 19 0.586 -1.650 8.459 788 2HB LEU 19 HB1 LEU 19 -0.900 -1.721 7.530 789 HG LEU 19 HG LEU 19 -0.116 0.546 9.363 790 1HD1 LEU 19 HD11 LEU 19 0.233 1.808 7.288 791 2HD1 LEU 19 HD12 LEU 19 -0.055 0.338 6.357 792 3HD1 LEU 19 HD13 LEU 19 1.343 0.444 7.427 793 1HD2 LEU 19 HD21 LEU 19 -2.388 0.282 7.398 794 2HD2 LEU 19 HD22 LEU 19 -1.996 1.717 8.346 795 3HD2 LEU 19 HD23 LEU 19 -2.534 0.244 9.153 796 H LEU 20 HN LEU 20 0.669 -3.733 10.088 797 HA LEU 20 HA LEU 20 -0.294 -5.948 8.616 798 1HB LEU 20 HB2 LEU 20 1.656 -5.832 10.921 799 2HB LEU 20 HB1 LEU 20 1.364 -7.259 9.946 800 HG LEU 20 HG LEU 20 2.494 -4.647 8.935 801 1HD1 LEU 20 HD11 LEU 20 4.573 -5.897 8.683 802 2HD1 LEU 20 HD12 LEU 20 3.815 -7.316 9.407 803 3HD1 LEU 20 HD13 LEU 20 4.054 -5.857 10.367 804 1HD2 LEU 20 HD21 LEU 20 1.160 -5.836 7.252 805 2HD2 LEU 20 HD22 LEU 20 2.127 -7.287 7.524 806 3HD2 LEU 20 HD23 LEU 20 2.878 -5.839 6.854 807 H ASP 21 HN ASP 21 -0.707 -4.907 11.945 808 HA ASP 21 HA ASP 21 -1.973 -7.211 12.939 809 1HB ASP 21 HB2 ASP 21 -2.086 -4.315 13.731 810 2HB ASP 21 HB1 ASP 21 -3.115 -5.504 14.521 811 H VAL 22 HN VAL 22 -3.243 -4.379 11.242 812 HA VAL 22 HA VAL 22 -5.974 -5.037 11.406 813 HB VAL 22 HB VAL 22 -4.557 -3.606 9.150 814 1HG1 VAL 22 HG11 VAL 22 -7.469 -3.640 9.939 815 2HG1 VAL 22 HG12 VAL 22 -6.766 -4.329 8.476 816 3HG1 VAL 22 HG13 VAL 22 -6.759 -2.582 8.720 817 1HG2 VAL 22 HG21 VAL 22 -4.130 -2.532 11.282 818 2HG2 VAL 22 HG22 VAL 22 -5.856 -2.517 11.644 819 3HG2 VAL 22 HG23 VAL 22 -5.225 -1.549 10.311 820 H LEU 23 HN LEU 23 -3.475 -5.984 9.105 821 HA LEU 23 HA LEU 23 -5.160 -7.295 7.268 822 1HB LEU 23 HB2 LEU 23 -2.244 -7.779 7.876 823 2HB LEU 23 HB1 LEU 23 -3.093 -8.383 6.465 824 HG LEU 23 HG LEU 23 -2.614 -5.469 7.117 825 1HD1 LEU 23 HD11 LEU 23 -1.083 -5.501 5.238 826 2HD1 LEU 23 HD12 LEU 23 -1.401 -7.216 4.981 827 3HD1 LEU 23 HD13 LEU 23 -0.585 -6.684 6.449 828 1HD2 LEU 23 HD21 LEU 23 -3.504 -5.038 4.883 829 2HD2 LEU 23 HD22 LEU 23 -4.713 -5.806 5.913 830 3HD2 LEU 23 HD23 LEU 23 -3.866 -6.754 4.690 831 H VAL 24 HN VAL 24 -3.313 -8.533 10.054 832 HA VAL 24 HA VAL 24 -4.235 -11.221 9.639 833 HB VAL 24 HB VAL 24 -2.058 -10.746 10.713 834 1HG1 VAL 24 HG11 VAL 24 -2.662 -8.806 12.034 835 2HG1 VAL 24 HG12 VAL 24 -1.964 -10.062 13.057 836 3HG1 VAL 24 HG13 VAL 24 -3.708 -9.800 13.048 837 1HG2 VAL 24 HG21 VAL 24 -3.113 -12.915 11.027 838 2HG2 VAL 24 HG22 VAL 24 -3.974 -12.305 12.440 839 3HG2 VAL 24 HG23 VAL 24 -2.217 -12.441 12.471 840 H LYS 25 HN LYS 25 -5.354 -8.449 11.373 841 HA LYS 25 HA LYS 25 -7.147 -9.619 13.174 842 1HB LYS 25 HB2 LYS 25 -6.776 -7.338 13.471 843 2HB LYS 25 HB1 LYS 25 -6.978 -6.981 11.765 844 1HG LYS 25 HG2 LYS 25 -9.369 -7.254 11.951 845 2HG LYS 25 HG1 LYS 25 -9.204 -7.738 13.642 846 1HD LYS 25 HD2 LYS 25 -8.499 -5.588 14.300 847 2HD LYS 25 HD1 LYS 25 -8.191 -5.091 12.636 848 1HE LYS 25 HE2 LYS 25 -10.937 -5.805 13.633 849 2HE LYS 25 HE1 LYS 25 -10.284 -4.171 13.748 850 1HZ LYS 25 HZ1 LYS 25 -11.620 -4.403 11.775 851 2HZ LYS 25 HZ2 LYS 25 -10.702 -5.728 11.243 852 3HZ LYS 25 HZ3 LYS 25 -9.998 -4.179 11.328 853 H GLU 26 HN GLU 26 -7.478 -8.832 9.759 854 HA GLU 26 HA GLU 26 -10.207 -9.860 9.739 855 1HB GLU 26 HB2 GLU 26 -8.539 -8.550 7.586 856 2HB GLU 26 HB1 GLU 26 -10.196 -9.098 7.363 857 1HG GLU 26 HG2 GLU 26 -9.247 -6.952 9.247 858 2HG GLU 26 HG1 GLU 26 -10.161 -6.726 7.754 859 H GLU 27 HN GLU 27 -7.121 -11.030 9.397 860 HA GLU 27 HA GLU 27 -6.128 -12.848 8.476 861 1HB GLU 27 HB2 GLU 27 -8.952 -13.944 8.512 862 2HB GLU 27 HB1 GLU 27 -7.491 -14.898 8.286 863 1HG GLU 27 HG2 GLU 27 -6.754 -13.981 10.551 864 2HG GLU 27 HG1 GLU 27 -8.431 -13.472 10.748 865 H VAL 28 HN VAL 28 -6.409 -10.931 6.710 866 HA VAL 28 HA VAL 28 -7.925 -11.588 4.391 867 HB VAL 28 HB VAL 28 -6.768 -9.746 3.304 868 1HG1 VAL 28 HG11 VAL 28 -7.482 -9.113 6.163 869 2HG1 VAL 28 HG12 VAL 28 -8.594 -9.179 4.795 870 3HG1 VAL 28 HG13 VAL 28 -7.343 -7.937 4.858 871 1HG2 VAL 28 HG21 VAL 28 -4.988 -9.716 5.738 872 2HG2 VAL 28 HG22 VAL 28 -5.012 -8.477 4.482 873 3HG2 VAL 28 HG23 VAL 28 -4.511 -10.122 4.089 874 H THR 29 HN THR 29 -7.183 -12.256 2.359 875 HA THR 29 HA THR 29 -4.909 -14.032 2.366 876 HB THR 29 HB THR 29 -5.565 -14.315 -0.081 877 HG1 THR 29 HG1 THR 29 -8.080 -13.286 0.380 878 1HG2 THR 29 HG21 THR 29 -7.675 -14.857 2.009 879 2HG2 THR 29 HG22 THR 29 -6.286 -15.883 1.652 880 3HG2 THR 29 HG23 THR 29 -7.549 -15.653 0.442 881 HA PRO 30 HA PRO 30 -1.773 -11.367 0.637 882 1HB PRO 30 HB2 PRO 30 -1.597 -13.266 -1.657 883 2HB PRO 30 HB1 PRO 30 -0.316 -12.640 -0.614 884 1HG PRO 30 HG2 PRO 30 -1.200 -15.124 -0.306 885 2HG PRO 30 HG1 PRO 30 -0.810 -14.123 1.106 886 1HD PRO 30 HD2 PRO 30 -3.479 -14.846 -0.032 887 2HD PRO 30 HD1 PRO 30 -2.991 -14.664 1.665 888 H ASP 31 HN ASP 31 -4.130 -12.678 -1.649 889 HA ASP 31 HA ASP 31 -3.866 -10.676 -3.626 890 1HB ASP 31 HB2 ASP 31 -6.279 -12.388 -2.972 891 2HB ASP 31 HB1 ASP 31 -6.024 -11.496 -4.468 892 H LEU 32 HN LEU 32 -6.204 -11.105 -0.990 893 HA LEU 32 HA LEU 32 -7.631 -8.720 -1.421 894 1HB LEU 32 HB2 LEU 32 -8.475 -10.593 -0.073 895 2HB LEU 32 HB1 LEU 32 -7.251 -10.278 1.140 896 HG LEU 32 HG LEU 32 -8.288 -8.055 1.557 897 1HD1 LEU 32 HD11 LEU 32 -9.329 -7.741 -0.631 898 2HD1 LEU 32 HD12 LEU 32 -10.513 -7.598 0.669 899 3HD1 LEU 32 HD13 LEU 32 -10.438 -9.072 -0.297 900 1HD2 LEU 32 HD21 LEU 32 -10.158 -10.404 1.828 901 2HD2 LEU 32 HD22 LEU 32 -10.228 -8.906 2.757 902 3HD2 LEU 32 HD23 LEU 32 -8.850 -9.993 2.937 903 H ALA 33 HN ALA 33 -4.804 -9.464 0.545 904 HA ALA 33 HA ALA 33 -4.554 -7.120 2.007 905 1HB ALA 33 HB1 ALA 33 -2.187 -7.656 2.191 906 2HB ALA 33 HB2 ALA 33 -2.336 -8.806 0.862 907 3HB ALA 33 HB3 ALA 33 -3.180 -9.100 2.382 908 H LEU 34 HN LEU 34 -3.001 -7.875 -1.107 909 HA LEU 34 HA LEU 34 -1.832 -5.338 -1.439 910 1HB LEU 34 HB2 LEU 34 -2.583 -7.385 -3.528 911 2HB LEU 34 HB1 LEU 34 -1.528 -6.011 -3.797 912 HG LEU 34 HG LEU 34 -0.969 -8.307 -1.918 913 1HD1 LEU 34 HD11 LEU 34 0.209 -7.598 -4.600 914 2HD1 LEU 34 HD12 LEU 34 -0.808 -8.992 -4.236 915 3HD1 LEU 34 HD13 LEU 34 0.802 -8.865 -3.528 916 1HD2 LEU 34 HD21 LEU 34 1.234 -7.308 -1.667 917 2HD2 LEU 34 HD22 LEU 34 -0.019 -6.184 -1.142 918 3HD2 LEU 34 HD23 LEU 34 0.761 -5.967 -2.708 919 H MET 35 HN MET 35 -4.939 -6.657 -2.479 920 HA MET 35 HA MET 35 -5.659 -4.529 -4.182 921 1HB MET 35 HB2 MET 35 -6.755 -6.769 -4.146 922 2HB MET 35 HB1 MET 35 -7.520 -6.330 -2.625 923 1HG MET 35 HG2 MET 35 -8.705 -4.517 -3.716 924 2HG MET 35 HG1 MET 35 -7.900 -4.885 -5.238 925 1HE MET 35 HE1 MET 35 -10.571 -6.048 -2.603 926 2HE MET 35 HE2 MET 35 -9.352 -7.320 -2.515 927 3HE MET 35 HE3 MET 35 -10.947 -7.673 -3.177 928 H CYS 36 HN CYS 36 -6.235 -5.076 -0.725 929 HA CYS 36 HA CYS 36 -7.824 -2.741 -0.376 930 1HB CYS 36 HB2 CYS 36 -6.265 -4.345 1.660 931 2HB CYS 36 HB1 CYS 36 -7.477 -3.125 2.037 932 HG CYS 36 HG CYS 36 -7.947 -6.199 0.645 933 H LEU 37 HN LEU 37 -4.383 -3.472 0.074 934 HA LEU 37 HA LEU 37 -3.630 -0.993 1.162 935 1HB LEU 37 HB2 LEU 37 -2.053 -2.963 -0.495 936 2HB LEU 37 HB1 LEU 37 -1.343 -1.574 0.303 937 HG LEU 37 HG LEU 37 -2.742 -3.852 1.706 938 1HD1 LEU 37 HD11 LEU 37 -0.632 -4.556 0.722 939 2HD1 LEU 37 HD12 LEU 37 -0.504 -4.464 2.478 940 3HD1 LEU 37 HD13 LEU 37 0.190 -3.190 1.476 941 1HD2 LEU 37 HD21 LEU 37 -1.851 -2.841 3.744 942 2HD2 LEU 37 HD22 LEU 37 -2.946 -1.741 2.907 943 3HD2 LEU 37 HD23 LEU 37 -1.201 -1.500 2.801 944 H GLY 38 HN GLY 38 -3.797 -2.116 -2.199 945 1HA GLY 38 HA2 GLY 38 -2.728 0.148 -3.442 946 2HA GLY 38 HA1 GLY 38 -3.891 -0.949 -4.175 947 H ASN 39 HN ASN 39 -6.074 -0.539 -2.506 948 HA ASN 39 HA ASN 39 -7.176 1.844 -3.555 949 1HB ASN 39 HB2 ASN 39 -8.089 -0.196 -1.571 950 2HB ASN 39 HB1 ASN 39 -8.960 1.329 -1.678 951 1HD2 ASN 39 HD21 ASN 39 -8.238 -1.677 -3.238 952 2HD2 ASN 39 HD22 ASN 39 -9.390 -1.512 -4.524 953 H ALA 40 HN ALA 40 -5.845 1.009 -0.393 954 HA ALA 40 HA ALA 40 -6.523 3.386 0.943 955 1HB ALA 40 HB1 ALA 40 -4.168 1.562 1.418 956 2HB ALA 40 HB2 ALA 40 -5.776 1.381 2.117 957 3HB ALA 40 HB3 ALA 40 -4.779 2.771 2.546 958 H VAL 41 HN VAL 41 -3.552 2.458 -0.786 959 HA VAL 41 HA VAL 41 -2.119 4.825 -0.412 960 HB VAL 41 HB VAL 41 -2.046 2.988 -2.817 961 1HG1 VAL 41 HG11 VAL 41 -0.033 5.012 -1.835 962 2HG1 VAL 41 HG12 VAL 41 -1.010 5.135 -3.299 963 3HG1 VAL 41 HG13 VAL 41 0.218 3.876 -3.161 964 1HG2 VAL 41 HG21 VAL 41 -1.606 1.803 -0.732 965 2HG2 VAL 41 HG22 VAL 41 -0.375 2.992 -0.304 966 3HG2 VAL 41 HG23 VAL 41 -0.138 1.939 -1.700 967 H THR 42 HN THR 42 -4.315 3.898 -3.034 968 HA THR 42 HA THR 42 -4.062 6.178 -4.613 969 HB THR 42 HB THR 42 -6.535 4.472 -4.254 970 HG1 THR 42 HG1 THR 42 -4.884 3.116 -4.863 971 1HG2 THR 42 HG21 THR 42 -7.066 5.157 -6.546 972 2HG2 THR 42 HG22 THR 42 -5.636 6.191 -6.572 973 3HG2 THR 42 HG23 THR 42 -6.968 6.552 -5.472 974 H ASN 43 HN ASN 43 -6.211 5.529 -1.864 975 HA ASN 43 HA ASN 43 -7.713 7.918 -2.083 976 1HB ASN 43 HB2 ASN 43 -8.548 6.013 -0.805 977 2HB ASN 43 HB1 ASN 43 -7.209 6.161 0.330 978 1HD2 ASN 43 HD21 ASN 43 -7.295 7.696 1.926 979 2HD2 ASN 43 HD22 ASN 43 -8.698 8.655 2.239 980 H ILE 44 HN ILE 44 -4.693 7.122 -0.481 981 HA ILE 44 HA ILE 44 -4.469 9.561 0.981 982 HB ILE 44 HB ILE 44 -2.323 7.617 0.101 983 1HG1 ILE 44 HG12 ILE 44 -3.956 6.611 1.612 984 2HG1 ILE 44 HG11 ILE 44 -2.422 6.840 2.445 985 1HG2 ILE 44 HG21 ILE 44 -1.326 9.776 0.522 986 2HG2 ILE 44 HG22 ILE 44 -0.923 8.673 1.839 987 3HG2 ILE 44 HG23 ILE 44 -2.169 9.901 2.067 988 1HD1 ILE 44 HD11 ILE 44 -4.864 8.580 2.707 989 2HD1 ILE 44 HD12 ILE 44 -3.321 8.853 3.517 990 3HD1 ILE 44 HD13 ILE 44 -4.270 7.414 3.889 991 H ILE 45 HN ILE 45 -3.194 8.432 -2.130 992 HA ILE 45 HA ILE 45 -1.745 10.790 -2.721 993 HB ILE 45 HB ILE 45 -2.847 8.724 -4.634 994 1HG1 ILE 45 HG12 ILE 45 -0.131 8.934 -3.313 995 2HG1 ILE 45 HG11 ILE 45 -1.380 7.770 -2.891 996 1HG2 ILE 45 HG21 ILE 45 -0.671 10.781 -4.990 997 2HG2 ILE 45 HG22 ILE 45 -2.238 10.753 -5.801 998 3HG2 ILE 45 HG23 ILE 45 -1.051 9.495 -6.136 999 1HD1 ILE 45 HD11 ILE 45 -1.206 6.778 -5.112 1000 2HD1 ILE 45 HD12 ILE 45 0.341 6.758 -4.266 1001 3HD1 ILE 45 HD13 ILE 45 0.045 7.946 -5.536 1002 H ALA 46 HN ALA 46 -5.088 9.918 -3.060 1003 HA ALA 46 HA ALA 46 -5.792 11.938 -4.944 1004 1HB ALA 46 HB1 ALA 46 -7.560 10.480 -2.982 1005 2HB ALA 46 HB2 ALA 46 -7.145 9.917 -4.602 1006 3HB ALA 46 HB3 ALA 46 -8.091 11.392 -4.394 1007 H GLN 47 HN GLN 47 -5.012 12.031 -1.648 1008 HA GLN 47 HA GLN 47 -6.526 14.460 -1.108 1009 1HB GLN 47 HB2 GLN 47 -4.484 13.018 0.602 1010 2HB GLN 47 HB1 GLN 47 -5.528 14.333 1.125 1011 1HG GLN 47 HG2 GLN 47 -7.481 12.966 0.824 1012 2HG GLN 47 HG1 GLN 47 -6.506 11.657 0.163 1013 1HE2 GLN 47 HE21 GLN 47 -7.110 10.191 1.701 1014 2HE2 GLN 47 HE22 GLN 47 -6.607 10.291 3.352 1015 H VAL 48 HN VAL 48 -3.734 13.642 -2.643 1016 HA VAL 48 HA VAL 48 -2.306 16.113 -1.953 1017 HB VAL 48 HB VAL 48 -1.382 13.859 -3.744 1018 1HG1 VAL 48 HG11 VAL 48 -0.212 15.958 -4.098 1019 2HG1 VAL 48 HG12 VAL 48 0.851 14.772 -3.338 1020 3HG1 VAL 48 HG13 VAL 48 0.140 16.066 -2.374 1021 1HG2 VAL 48 HG21 VAL 48 -0.860 14.259 -0.805 1022 2HG2 VAL 48 HG22 VAL 48 -0.044 13.076 -1.829 1023 3HG2 VAL 48 HG23 VAL 48 -1.779 12.948 -1.542 1024 HA PRO 49 HA PRO 49 -4.173 18.097 -5.519 1025 1HB PRO 49 HB2 PRO 49 -1.618 19.632 -5.400 1026 2HB PRO 49 HB1 PRO 49 -3.282 20.222 -5.499 1027 1HG PRO 49 HG2 PRO 49 -1.957 20.332 -3.201 1028 2HG PRO 49 HG1 PRO 49 -3.675 19.894 -3.235 1029 1HD PRO 49 HD2 PRO 49 -1.279 18.153 -2.856 1030 2HD PRO 49 HD1 PRO 49 -2.888 18.038 -2.113 1031 H GLU 50 HN GLU 50 -3.958 17.973 -7.728 1032 HA GLU 50 HA GLU 50 -2.419 15.902 -8.769 1033 1HB GLU 50 HB2 GLU 50 -3.714 18.203 -10.227 1034 2HB GLU 50 HB1 GLU 50 -3.048 16.780 -11.014 1035 1HG GLU 50 HG2 GLU 50 -4.634 15.417 -9.595 1036 2HG GLU 50 HG1 GLU 50 -5.407 16.944 -9.171 1037 H SER 51 HN SER 51 -1.632 19.250 -8.394 1038 HA SER 51 HA SER 51 0.424 19.662 -10.159 1039 1HB SER 51 HB2 SER 51 -0.409 21.390 -8.646 1040 2HB SER 51 HB1 SER 51 0.259 20.527 -7.262 1041 HG SER 51 HG SER 51 1.690 21.729 -9.406 1042 H LYS 52 HN LYS 52 0.476 17.735 -7.216 1043 HA LYS 52 HA LYS 52 3.145 16.788 -7.985 1044 1HB LYS 52 HB2 LYS 52 3.654 16.569 -5.492 1045 2HB LYS 52 HB1 LYS 52 3.704 18.184 -6.175 1046 1HG LYS 52 HG2 LYS 52 1.246 17.161 -4.802 1047 2HG LYS 52 HG1 LYS 52 2.589 17.847 -3.890 1048 1HD LYS 52 HD2 LYS 52 1.046 19.236 -6.082 1049 2HD LYS 52 HD1 LYS 52 0.866 19.523 -4.351 1050 1HE LYS 52 HE2 LYS 52 3.112 20.364 -4.200 1051 2HE LYS 52 HE1 LYS 52 3.440 19.916 -5.871 1052 1HZ LYS 52 HZ1 LYS 52 1.948 21.572 -6.646 1053 2HZ LYS 52 HZ2 LYS 52 2.950 22.320 -5.503 1054 3HZ LYS 52 HZ3 LYS 52 1.366 21.889 -5.087 1055 H ARG 53 HN ARG 53 0.238 15.887 -8.095 1056 HA ARG 53 HA ARG 53 0.056 13.597 -6.385 1057 1HB ARG 53 HB2 ARG 53 -1.937 14.794 -7.197 1058 2HB ARG 53 HB1 ARG 53 -1.527 14.345 -8.847 1059 1HG ARG 53 HG2 ARG 53 -1.923 12.034 -8.389 1060 2HG ARG 53 HG1 ARG 53 -2.139 12.367 -6.670 1061 1HD ARG 53 HD2 ARG 53 -3.887 13.445 -8.878 1062 2HD ARG 53 HD1 ARG 53 -4.281 12.052 -7.867 1063 HE ARG 53 HE ARG 53 -3.719 14.149 -6.150 1064 1HH1 ARG 53 HH11 ARG 53 -6.076 13.484 -8.655 1065 2HH1 ARG 53 HH12 ARG 53 -7.327 14.417 -7.883 1066 1HH2 ARG 53 HH21 ARG 53 -5.329 15.393 -5.176 1067 2HH2 ARG 53 HH22 ARG 53 -6.903 15.508 -5.899 1068 H VAL 54 HN VAL 54 1.026 14.200 -9.712 1069 HA VAL 54 HA VAL 54 1.227 11.437 -10.422 1070 HB VAL 54 HB VAL 54 2.580 13.810 -11.722 1071 1HG1 VAL 54 HG11 VAL 54 1.983 11.047 -12.767 1072 2HG1 VAL 54 HG12 VAL 54 3.572 11.720 -12.406 1073 3HG1 VAL 54 HG13 VAL 54 2.614 12.384 -13.729 1074 1HG2 VAL 54 HG21 VAL 54 0.684 13.819 -13.280 1075 2HG2 VAL 54 HG22 VAL 54 0.176 14.149 -11.624 1076 3HG2 VAL 54 HG23 VAL 54 -0.096 12.555 -12.327 1077 H ALA 55 HN ALA 55 3.412 13.913 -9.234 1078 HA ALA 55 HA ALA 55 5.827 12.528 -9.468 1079 1HB ALA 55 HB1 ALA 55 5.049 14.567 -7.384 1080 2HB ALA 55 HB2 ALA 55 5.679 14.927 -8.992 1081 3HB ALA 55 HB3 ALA 55 6.692 14.094 -7.812 1082 H VAL 56 HN VAL 56 3.536 12.669 -6.734 1083 HA VAL 56 HA VAL 56 5.164 11.084 -5.043 1084 HB VAL 56 HB VAL 56 3.170 10.853 -3.591 1085 1HG1 VAL 56 HG11 VAL 56 3.764 13.636 -4.582 1086 2HG1 VAL 56 HG12 VAL 56 4.651 12.754 -3.339 1087 3HG1 VAL 56 HG13 VAL 56 2.982 13.244 -3.052 1088 1HG2 VAL 56 HG21 VAL 56 1.427 10.787 -5.283 1089 2HG2 VAL 56 HG22 VAL 56 1.790 12.450 -5.743 1090 3HG2 VAL 56 HG23 VAL 56 1.134 12.102 -4.144 1091 H VAL 57 HN VAL 57 2.472 10.216 -7.210 1092 HA VAL 57 HA VAL 57 2.371 7.529 -6.259 1093 HB VAL 57 HB VAL 57 0.416 8.491 -7.360 1094 1HG1 VAL 57 HG11 VAL 57 2.033 8.406 -9.904 1095 2HG1 VAL 57 HG12 VAL 57 1.573 9.867 -9.030 1096 3HG1 VAL 57 HG13 VAL 57 0.332 8.849 -9.761 1097 1HG2 VAL 57 HG21 VAL 57 0.620 6.087 -7.346 1098 2HG2 VAL 57 HG22 VAL 57 1.569 6.130 -8.832 1099 3HG2 VAL 57 HG23 VAL 57 -0.127 6.616 -8.853 1100 H ASP 58 HN ASP 58 4.081 9.120 -8.925 1101 HA ASP 58 HA ASP 58 5.026 6.734 -10.123 1102 1HB ASP 58 HB2 ASP 58 5.061 8.992 -11.217 1103 2HB ASP 58 HB1 ASP 58 6.393 9.426 -10.149 1104 H ASN 59 HN ASN 59 6.477 8.965 -7.777 1105 HA ASN 59 HA ASN 59 8.883 7.605 -7.366 1106 1HB ASN 59 HB2 ASN 59 7.243 9.470 -5.705 1107 2HB ASN 59 HB1 ASN 59 8.567 8.604 -4.931 1108 1HD2 ASN 59 HD21 ASN 59 7.704 10.953 -7.351 1109 2HD2 ASN 59 HD22 ASN 59 9.295 11.615 -7.557 1110 H PHE 60 HN PHE 60 5.738 7.183 -5.833 1111 HA PHE 60 HA PHE 60 6.438 5.230 -3.957 1112 1HB PHE 60 HB2 PHE 60 4.265 6.469 -4.049 1113 2HB PHE 60 HB1 PHE 60 3.809 5.487 -5.436 1114 HD1 PHE 60 HD1 PHE 60 4.832 5.208 -1.871 1115 HD2 PHE 60 HD2 PHE 60 2.693 3.495 -5.123 1116 HE1 PHE 60 HE1 PHE 60 3.898 3.512 -0.357 1117 HE2 PHE 60 HE2 PHE 60 1.757 1.791 -3.614 1118 HZ PHE 60 HZ PHE 60 2.355 1.803 -1.229 1119 H THR 61 HN THR 61 5.130 4.852 -7.249 1120 HA THR 61 HA THR 61 5.258 2.030 -7.234 1121 HB THR 61 HB THR 61 5.019 2.239 -9.731 1122 HG1 THR 61 HG1 THR 61 5.811 4.760 -9.202 1123 1HG2 THR 61 HG21 THR 61 3.102 3.801 -7.994 1124 2HG2 THR 61 HG22 THR 61 3.068 2.059 -8.300 1125 3HG2 THR 61 HG23 THR 61 2.745 3.195 -9.613 1126 H LYS 62 HN LYS 62 7.553 4.510 -8.232 1127 HA LYS 62 HA LYS 62 9.422 2.813 -9.491 1128 1HB LYS 62 HB2 LYS 62 9.370 5.299 -9.666 1129 2HB LYS 62 HB1 LYS 62 9.925 5.403 -8.004 1130 1HG LYS 62 HG2 LYS 62 11.543 3.906 -10.017 1131 2HG LYS 62 HG1 LYS 62 11.604 5.667 -9.968 1132 1HD LYS 62 HD2 LYS 62 12.182 5.493 -7.535 1133 2HD LYS 62 HD1 LYS 62 12.301 3.745 -7.750 1134 1HE LYS 62 HE2 LYS 62 14.057 4.052 -9.405 1135 2HE LYS 62 HE1 LYS 62 13.921 5.803 -9.247 1136 1HZ LYS 62 HZ1 LYS 62 15.743 5.142 -7.931 1137 2HZ LYS 62 HZ2 LYS 62 14.884 3.868 -7.220 1138 3HZ LYS 62 HZ3 LYS 62 14.490 5.473 -6.839 1139 H ALA 63 HN ALA 63 9.117 3.949 -6.140 1140 HA ALA 63 HA ALA 63 11.407 2.665 -5.129 1141 1HB ALA 63 HB1 ALA 63 10.236 4.436 -3.919 1142 2HB ALA 63 HB2 ALA 63 10.405 2.986 -2.929 1143 3HB ALA 63 HB3 ALA 63 8.855 3.365 -3.681 1144 H LEU 64 HN LEU 64 8.018 1.628 -5.267 1145 HA LEU 64 HA LEU 64 8.242 -0.832 -4.004 1146 1HB LEU 64 HB2 LEU 64 6.442 0.194 -6.166 1147 2HB LEU 64 HB1 LEU 64 6.349 -1.485 -5.670 1148 HG LEU 64 HG LEU 64 5.982 0.851 -3.790 1149 1HD1 LEU 64 HD11 LEU 64 3.917 -0.895 -5.120 1150 2HD1 LEU 64 HD12 LEU 64 4.223 0.801 -5.487 1151 3HD1 LEU 64 HD13 LEU 64 3.602 0.339 -3.901 1152 1HD2 LEU 64 HD21 LEU 64 5.446 -2.103 -3.486 1153 2HD2 LEU 64 HD22 LEU 64 5.046 -0.859 -2.301 1154 3HD2 LEU 64 HD23 LEU 64 6.733 -1.191 -2.697 1155 H LYS 65 HN LYS 65 8.427 -0.197 -7.509 1156 HA LYS 65 HA LYS 65 8.926 -2.856 -8.221 1157 1HB LYS 65 HB2 LYS 65 9.398 -0.249 -9.631 1158 2HB LYS 65 HB1 LYS 65 9.882 -1.777 -10.357 1159 1HG LYS 65 HG2 LYS 65 7.548 -2.576 -10.123 1160 2HG LYS 65 HG1 LYS 65 7.101 -0.973 -9.536 1161 1HD LYS 65 HD2 LYS 65 7.604 0.033 -11.616 1162 2HD LYS 65 HD1 LYS 65 8.446 -1.410 -12.192 1163 1HE LYS 65 HE2 LYS 65 6.311 -2.640 -12.118 1164 2HE LYS 65 HE1 LYS 65 5.494 -1.156 -11.632 1165 1HZ LYS 65 HZ1 LYS 65 5.874 -0.191 -13.707 1166 2HZ LYS 65 HZ2 LYS 65 5.434 -1.788 -14.072 1167 3HZ LYS 65 HZ3 LYS 65 7.064 -1.319 -14.131 1168 H GLN 66 HN GLN 66 11.147 -0.282 -7.300 1169 HA GLN 66 HA GLN 66 13.489 -1.726 -8.050 1170 1HB GLN 66 HB2 GLN 66 13.466 0.740 -7.700 1171 2HB GLN 66 HB1 GLN 66 13.245 0.463 -5.975 1172 1HG GLN 66 HG2 GLN 66 15.376 -0.786 -5.943 1173 2HG GLN 66 HG1 GLN 66 15.606 -0.372 -7.640 1174 1HE2 GLN 66 HE21 GLN 66 17.249 0.269 -5.331 1175 2HE2 GLN 66 HE22 GLN 66 17.368 2.001 -5.310 1176 H SER 67 HN SER 67 11.830 -1.203 -4.947 1177 HA SER 67 HA SER 67 13.660 -2.645 -3.379 1178 1HB SER 67 HB2 SER 67 11.928 -1.017 -2.543 1179 2HB SER 67 HB1 SER 67 10.711 -2.267 -2.803 1180 HG SER 67 HG SER 67 11.347 -3.236 -1.045 1181 H VAL 68 HN VAL 68 10.735 -3.654 -5.088 1182 HA VAL 68 HA VAL 68 10.650 -6.281 -4.042 1183 HB VAL 68 HB VAL 68 9.518 -5.154 -6.605 1184 1HG1 VAL 68 HG11 VAL 68 8.130 -7.169 -6.717 1185 2HG1 VAL 68 HG12 VAL 68 8.985 -7.839 -5.327 1186 3HG1 VAL 68 HG13 VAL 68 9.845 -7.568 -6.843 1187 1HG2 VAL 68 HG21 VAL 68 8.568 -4.203 -4.578 1188 2HG2 VAL 68 HG22 VAL 68 8.255 -5.820 -3.948 1189 3HG2 VAL 68 HG23 VAL 68 7.395 -5.249 -5.377 1190 H LEU 69 HN LEU 69 12.109 -4.956 -7.018 1191 HA LEU 69 HA LEU 69 13.013 -7.527 -7.876 1192 1HB LEU 69 HB2 LEU 69 13.362 -4.745 -8.838 1193 2HB LEU 69 HB1 LEU 69 14.580 -5.912 -9.318 1194 HG LEU 69 HG LEU 69 12.749 -7.352 -10.231 1195 1HD1 LEU 69 HD11 LEU 69 11.049 -4.919 -9.724 1196 2HD1 LEU 69 HD12 LEU 69 10.899 -6.479 -8.918 1197 3HD1 LEU 69 HD13 LEU 69 10.567 -6.344 -10.644 1198 1HD2 LEU 69 HD21 LEU 69 14.078 -5.936 -11.684 1199 2HD2 LEU 69 HD22 LEU 69 12.998 -4.575 -11.376 1200 3HD2 LEU 69 HD23 LEU 69 12.406 -5.993 -12.242 1201 H GLU 70 HN GLU 70 14.397 -4.986 -5.893 1202 HA GLU 70 HA GLU 70 16.993 -6.165 -5.749 1203 1HB GLU 70 HB2 GLU 70 15.527 -4.336 -3.837 1204 2HB GLU 70 HB1 GLU 70 17.195 -4.834 -3.619 1205 1HG GLU 70 HG2 GLU 70 17.718 -3.777 -5.818 1206 2HG GLU 70 HG1 GLU 70 16.068 -3.157 -5.847 1207 H HIS 71 HN HIS 71 13.958 -6.600 -4.123 1208 HA HIS 71 HA HIS 71 13.266 -7.814 -2.347 1209 1HB HIS 71 HB2 HIS 71 13.492 -10.271 -2.692 1210 2HB HIS 71 HB1 HIS 71 12.863 -9.382 -4.066 1211 HD1 HIS 71 HD1 HIS 71 15.942 -11.239 -2.925 1212 HD2 HIS 71 HD2 HIS 71 14.289 -9.663 -6.397 1213 HE1 HIS 71 HE1 HIS 71 17.315 -12.166 -4.805 1214 HE2 HIS 71 HE2 HIS 71 16.113 -11.432 -6.889 1215 H HIS 72 HN HIS 72 14.234 -7.031 -0.603 1216 HA HIS 72 HA HIS 72 15.918 -8.825 0.843 1217 1HB HIS 72 HB2 HIS 72 17.774 -7.240 1.239 1218 2HB HIS 72 HB1 HIS 72 17.677 -7.710 -0.454 1219 HD1 HIS 72 HD1 HIS 72 17.161 -4.778 1.836 1220 HD2 HIS 72 HD2 HIS 72 17.074 -5.656 -2.224 1221 HE1 HIS 72 HE1 HIS 72 17.035 -2.556 0.661 1222 HE2 HIS 72 HE2 HIS 72 16.985 -3.108 -1.805 1223 H HIS 73 HN HIS 73 16.433 -7.842 3.035 1224 HA HIS 73 HA HIS 73 14.185 -6.200 3.907 1225 1HB HIS 73 HB2 HIS 73 16.354 -7.642 5.451 1226 2HB HIS 73 HB1 HIS 73 15.116 -6.643 6.207 1227 HD1 HIS 73 HD1 HIS 73 12.786 -7.655 6.480 1228 HD2 HIS 73 HD2 HIS 73 15.388 -10.067 4.308 1229 HE1 HIS 73 HE1 HIS 73 11.604 -9.855 6.207 1230 HE2 HIS 73 HE2 HIS 73 13.105 -11.221 4.715 1231 H HIS 74 HN HIS 74 14.661 -4.351 5.397 1232 HA HIS 74 HA HIS 74 15.481 -2.246 5.634 1233 1HB HIS 74 HB2 HIS 74 18.057 -3.601 4.835 1234 2HB HIS 74 HB1 HIS 74 17.972 -1.879 5.188 1235 HD1 HIS 74 HD1 HIS 74 18.057 -1.196 7.603 1236 HD2 HIS 74 HD2 HIS 74 17.452 -5.281 7.104 1237 HE1 HIS 74 HE1 HIS 74 18.265 -2.198 9.897 1238 HE2 HIS 74 HE2 HIS 74 17.664 -4.626 9.597 1239 H HIS 75 HN HIS 75 17.089 -0.618 4.149 1240 HA HIS 75 HA HIS 75 15.754 -0.751 1.520 1241 1HB HIS 75 HB2 HIS 75 16.660 1.677 3.084 1242 2HB HIS 75 HB1 HIS 75 15.925 1.720 1.483 1243 HD1 HIS 75 HD1 HIS 75 14.854 2.837 4.396 1244 HD2 HIS 75 HD2 HIS 75 13.420 -0.341 2.118 1245 HE1 HIS 75 HE1 HIS 75 12.475 2.485 5.138 1246 HE2 HIS 75 HE2 HIS 75 11.690 0.444 3.875 1247 H HIS 76 HN HIS 76 18.394 -1.782 2.514 1248 HA HIS 76 HA HIS 76 20.426 -2.214 1.729 1249 1HB HIS 76 HB2 HIS 76 20.979 -2.064 -0.520 1250 2HB HIS 76 HB1 HIS 76 19.231 -2.169 -0.543 1251 HD1 HIS 76 HD1 HIS 76 18.249 -0.698 -2.251 1252 HD2 HIS 76 HD2 HIS 76 21.783 0.883 -0.730 1253 HE1 HIS 76 HE1 HIS 76 18.632 1.446 -3.508 1254 HE2 HIS 76 HE2 HIS 76 20.707 2.447 -2.481 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -4.305 -24.285 3.742 2 2H MET 1 HT2 MET 1 -3.287 -23.061 4.320 3 3H MET 1 HT3 MET 1 -3.374 -23.382 2.654 4 HA MET 1 HA MET 1 -5.570 -22.332 4.340 5 1HB MET 1 HB2 MET 1 -3.789 -21.032 2.277 6 2HB MET 1 HB1 MET 1 -5.313 -20.329 2.796 7 1HG MET 1 HG2 MET 1 -2.975 -20.932 4.591 8 2HG MET 1 HG1 MET 1 -3.383 -19.347 3.934 9 1HE MET 1 HE1 MET 1 -3.346 -18.340 6.382 10 2HE MET 1 HE2 MET 1 -2.960 -19.922 7.054 11 3HE MET 1 HE3 MET 1 -4.291 -18.980 7.725 12 HA PRO 2 HA PRO 2 -8.114 -24.173 1.143 13 1HB PRO 2 HB2 PRO 2 -10.158 -22.380 2.300 14 2HB PRO 2 HB1 PRO 2 -10.194 -24.133 2.092 15 1HG PRO 2 HG2 PRO 2 -9.895 -23.028 4.511 16 2HG PRO 2 HG1 PRO 2 -9.054 -24.525 4.065 17 1HD PRO 2 HD2 PRO 2 -7.997 -21.728 4.216 18 2HD PRO 2 HD1 PRO 2 -7.226 -23.252 4.702 19 H ILE 3 HN ILE 3 -8.447 -23.487 -0.897 20 HA ILE 3 HA ILE 3 -7.805 -20.752 -1.529 21 HB ILE 3 HB ILE 3 -8.106 -21.518 -3.913 22 1HG1 ILE 3 HG12 ILE 3 -8.369 -24.235 -2.595 23 2HG1 ILE 3 HG11 ILE 3 -9.661 -23.390 -3.440 24 1HG2 ILE 3 HG21 ILE 3 -5.930 -21.423 -2.834 25 2HG2 ILE 3 HG22 ILE 3 -6.024 -22.806 -3.924 26 3HG2 ILE 3 HG23 ILE 3 -6.165 -23.044 -2.181 27 1HD1 ILE 3 HD11 ILE 3 -7.093 -24.374 -4.663 28 2HD1 ILE 3 HD12 ILE 3 -8.377 -23.520 -5.517 29 3HD1 ILE 3 HD13 ILE 3 -8.684 -25.116 -4.833 30 H VAL 4 HN VAL 4 -10.042 -20.613 -0.089 31 HA VAL 4 HA VAL 4 -12.132 -20.013 -2.081 32 HB VAL 4 HB VAL 4 -12.642 -20.421 0.864 33 1HG1 VAL 4 HG11 VAL 4 -14.338 -19.159 -0.337 34 2HG1 VAL 4 HG12 VAL 4 -14.960 -20.740 0.138 35 3HG1 VAL 4 HG13 VAL 4 -14.472 -20.450 -1.533 36 1HG2 VAL 4 HG21 VAL 4 -11.738 -22.505 0.017 37 2HG2 VAL 4 HG22 VAL 4 -12.876 -22.472 -1.329 38 3HG2 VAL 4 HG23 VAL 4 -13.470 -22.665 0.320 39 H SER 5 HN SER 5 -12.304 -18.966 1.218 40 HA SER 5 HA SER 5 -12.370 -16.903 2.183 41 1HB SER 5 HB2 SER 5 -9.939 -16.460 0.434 42 2HB SER 5 HB1 SER 5 -10.330 -15.601 1.926 43 HG SER 5 HG SER 5 -9.147 -18.029 1.583 44 H LYS 6 HN LYS 6 -14.140 -17.061 0.048 45 HA LYS 6 HA LYS 6 -13.786 -14.906 -1.780 46 1HB LYS 6 HB2 LYS 6 -16.337 -16.370 -1.099 47 2HB LYS 6 HB1 LYS 6 -16.049 -15.380 -2.521 48 1HG LYS 6 HG2 LYS 6 -14.231 -16.991 -3.151 49 2HG LYS 6 HG1 LYS 6 -14.799 -18.025 -1.842 50 1HD LYS 6 HD2 LYS 6 -16.350 -17.153 -4.277 51 2HD LYS 6 HD1 LYS 6 -15.761 -18.774 -3.918 52 1HE LYS 6 HE2 LYS 6 -17.934 -19.003 -3.264 53 2HE LYS 6 HE1 LYS 6 -17.229 -18.446 -1.747 54 1HZ LYS 6 HZ1 LYS 6 -18.589 -16.713 -3.744 55 2HZ LYS 6 HZ2 LYS 6 -17.965 -16.204 -2.255 56 3HZ LYS 6 HZ3 LYS 6 -19.282 -17.269 -2.300 57 H TYR 7 HN TYR 7 -13.511 -13.029 -0.773 58 HA TYR 7 HA TYR 7 -15.265 -12.102 1.309 59 1HB TYR 7 HB2 TYR 7 -13.878 -9.965 0.996 60 2HB TYR 7 HB1 TYR 7 -13.027 -11.406 1.547 61 HD1 TYR 7 HD1 TYR 7 -13.699 -9.317 -1.450 62 HD2 TYR 7 HD2 TYR 7 -11.228 -12.298 0.311 63 HE1 TYR 7 HE1 TYR 7 -12.109 -9.094 -3.310 64 HE2 TYR 7 HE2 TYR 7 -9.631 -12.081 -1.545 65 HH TYR 7 HH TYR 7 -9.462 -11.285 -3.768 66 H SER 8 HN SER 8 -16.534 -10.178 1.198 67 HA SER 8 HA SER 8 -17.657 -9.668 -1.457 68 1HB SER 8 HB2 SER 8 -18.647 -8.654 1.218 69 2HB SER 8 HB1 SER 8 -19.536 -8.709 -0.306 70 HG SER 8 HG SER 8 -18.752 -10.853 1.371 71 H ASN 9 HN ASN 9 -18.091 -7.385 -2.075 72 HA ASN 9 HA ASN 9 -15.718 -5.874 -1.960 73 1HB ASN 9 HB2 ASN 9 -18.505 -5.126 -2.851 74 2HB ASN 9 HB1 ASN 9 -17.126 -4.042 -2.996 75 1HD2 ASN 9 HD21 ASN 9 -17.188 -3.963 -5.202 76 2HD2 ASN 9 HD22 ASN 9 -16.756 -5.311 -6.200 77 H GLU 10 HN GLU 10 -18.589 -5.837 -0.005 78 HA GLU 10 HA GLU 10 -18.329 -3.334 1.217 79 1HB GLU 10 HB2 GLU 10 -19.417 -5.906 2.382 80 2HB GLU 10 HB1 GLU 10 -19.613 -4.318 3.107 81 1HG GLU 10 HG2 GLU 10 -21.631 -4.831 1.994 82 2HG GLU 10 HG1 GLU 10 -20.809 -3.615 1.020 83 H ARG 11 HN ARG 11 -16.848 -6.449 1.960 84 HA ARG 11 HA ARG 11 -15.584 -5.535 4.351 85 1HB ARG 11 HB2 ARG 11 -16.059 -7.940 3.871 86 2HB ARG 11 HB1 ARG 11 -14.808 -7.896 2.631 87 1HG ARG 11 HG2 ARG 11 -13.132 -7.375 4.289 88 2HG ARG 11 HG1 ARG 11 -14.367 -7.297 5.545 89 1HD ARG 11 HD2 ARG 11 -14.895 -9.694 5.028 90 2HD ARG 11 HD1 ARG 11 -13.458 -9.713 4.000 91 HE ARG 11 HE ARG 11 -13.003 -8.748 6.678 92 1HH1 ARG 11 HH11 ARG 11 -13.090 -11.628 4.667 93 2HH1 ARG 11 HH12 ARG 11 -11.988 -12.503 5.695 94 1HH2 ARG 11 HH21 ARG 11 -11.625 -9.883 8.000 95 2HH2 ARG 11 HH22 ARG 11 -11.164 -11.516 7.597 96 H VAL 12 HN VAL 12 -14.675 -5.798 0.973 97 HA VAL 12 HA VAL 12 -11.954 -5.263 1.129 98 HB VAL 12 HB VAL 12 -13.874 -4.307 -1.005 99 1HG1 VAL 12 HG11 VAL 12 -10.887 -4.712 -1.081 100 2HG1 VAL 12 HG12 VAL 12 -11.738 -3.171 -1.161 101 3HG1 VAL 12 HG13 VAL 12 -11.897 -4.337 -2.476 102 1HG2 VAL 12 HG21 VAL 12 -13.236 -6.353 -2.200 103 2HG2 VAL 12 HG22 VAL 12 -14.050 -6.702 -0.676 104 3HG2 VAL 12 HG23 VAL 12 -12.299 -6.869 -0.798 105 H GLU 13 HN GLU 13 -14.659 -2.963 0.807 106 HA GLU 13 HA GLU 13 -12.986 -0.671 0.996 107 1HB GLU 13 HB2 GLU 13 -15.267 -0.709 -0.062 108 2HB GLU 13 HB1 GLU 13 -15.950 -0.797 1.558 109 1HG GLU 13 HG2 GLU 13 -14.979 1.340 2.124 110 2HG GLU 13 HG1 GLU 13 -14.180 1.425 0.556 111 H LYS 14 HN LYS 14 -14.673 -2.657 3.341 112 HA LYS 14 HA LYS 14 -14.486 -0.986 5.575 113 1HB LYS 14 HB2 LYS 14 -15.752 -3.068 5.670 114 2HB LYS 14 HB1 LYS 14 -14.277 -4.004 5.450 115 1HG LYS 14 HG2 LYS 14 -13.430 -3.011 7.587 116 2HG LYS 14 HG1 LYS 14 -15.028 -2.305 7.818 117 1HD LYS 14 HD2 LYS 14 -16.007 -4.566 7.747 118 2HD LYS 14 HD1 LYS 14 -14.381 -5.240 7.600 119 1HE LYS 14 HE2 LYS 14 -15.332 -3.526 9.890 120 2HE LYS 14 HE1 LYS 14 -15.285 -5.288 9.912 121 1HZ LYS 14 HZ1 LYS 14 -12.896 -5.220 9.659 122 2HZ LYS 14 HZ2 LYS 14 -13.356 -4.288 10.995 123 3HZ LYS 14 HZ3 LYS 14 -12.908 -3.524 9.551 124 H ILE 15 HN ILE 15 -12.185 -3.328 4.254 125 HA ILE 15 HA ILE 15 -10.203 -2.974 6.228 126 HB ILE 15 HB ILE 15 -9.793 -3.796 3.347 127 1HG1 ILE 15 HG12 ILE 15 -10.273 -5.518 5.792 128 2HG1 ILE 15 HG11 ILE 15 -11.487 -5.165 4.568 129 1HG2 ILE 15 HG21 ILE 15 -8.104 -4.217 5.812 130 2HG2 ILE 15 HG22 ILE 15 -7.708 -3.205 4.423 131 3HG2 ILE 15 HG23 ILE 15 -7.800 -4.957 4.241 132 1HD1 ILE 15 HD11 ILE 15 -10.517 -7.358 4.234 133 2HD1 ILE 15 HD12 ILE 15 -8.909 -6.645 4.121 134 3HD1 ILE 15 HD13 ILE 15 -10.119 -6.289 2.889 135 H ILE 16 HN ILE 16 -10.813 -1.339 3.153 136 HA ILE 16 HA ILE 16 -8.561 0.321 3.106 137 HB ILE 16 HB ILE 16 -11.356 1.014 2.177 138 1HG1 ILE 16 HG12 ILE 16 -9.066 -0.185 0.606 139 2HG1 ILE 16 HG11 ILE 16 -10.435 -1.105 1.221 140 1HG2 ILE 16 HG21 ILE 16 -8.676 2.160 1.392 141 2HG2 ILE 16 HG22 ILE 16 -9.919 2.973 2.344 142 3HG2 ILE 16 HG23 ILE 16 -10.224 2.574 0.653 143 1HD1 ILE 16 HD11 ILE 16 -10.542 1.120 -0.802 144 2HD1 ILE 16 HD12 ILE 16 -11.939 0.261 -0.159 145 3HD1 ILE 16 HD13 ILE 16 -10.738 -0.602 -1.120 146 H GLN 17 HN GLN 17 -11.767 0.833 4.539 147 HA GLN 17 HA GLN 17 -11.269 3.339 5.712 148 1HB GLN 17 HB2 GLN 17 -13.516 2.414 5.430 149 2HB GLN 17 HB1 GLN 17 -13.150 1.129 6.568 150 1HG GLN 17 HG2 GLN 17 -14.530 2.843 7.583 151 2HG GLN 17 HG1 GLN 17 -12.953 2.753 8.364 152 1HE2 GLN 17 HE21 GLN 17 -11.574 4.468 8.252 153 2HE2 GLN 17 HE22 GLN 17 -12.031 6.009 7.604 154 H ASP 18 HN ASP 18 -10.922 0.055 6.961 155 HA ASP 18 HA ASP 18 -10.166 0.583 9.582 156 1HB ASP 18 HB2 ASP 18 -10.226 -1.658 7.839 157 2HB ASP 18 HB1 ASP 18 -8.621 -1.613 8.557 158 H LEU 19 HN LEU 19 -8.152 0.308 6.673 159 HA LEU 19 HA LEU 19 -5.670 0.798 7.924 160 1HB LEU 19 HB2 LEU 19 -6.546 1.309 5.078 161 2HB LEU 19 HB1 LEU 19 -4.885 1.354 5.635 162 HG LEU 19 HG LEU 19 -6.639 -1.100 5.752 163 1HD1 LEU 19 HD11 LEU 19 -6.235 -0.430 3.441 164 2HD1 LEU 19 HD12 LEU 19 -5.341 -1.897 3.845 165 3HD1 LEU 19 HD13 LEU 19 -4.502 -0.348 3.762 166 1HD2 LEU 19 HD21 LEU 19 -4.855 -1.097 7.406 167 2HD2 LEU 19 HD22 LEU 19 -3.673 -0.712 6.154 168 3HD2 LEU 19 HD23 LEU 19 -4.509 -2.265 6.129 169 H LEU 20 HN LEU 20 -8.013 2.955 6.367 170 HA LEU 20 HA LEU 20 -6.512 5.321 6.521 171 1HB LEU 20 HB2 LEU 20 -9.504 4.927 6.599 172 2HB LEU 20 HB1 LEU 20 -8.718 6.481 6.391 173 HG LEU 20 HG LEU 20 -8.525 4.147 4.486 174 1HD1 LEU 20 HD11 LEU 20 -9.996 6.768 4.250 175 2HD1 LEU 20 HD12 LEU 20 -10.731 5.179 4.467 176 3HD1 LEU 20 HD13 LEU 20 -9.849 5.548 2.985 177 1HD2 LEU 20 HD21 LEU 20 -7.397 5.733 2.999 178 2HD2 LEU 20 HD22 LEU 20 -6.489 5.479 4.489 179 3HD2 LEU 20 HD23 LEU 20 -7.436 6.952 4.273 180 H ASP 21 HN ASP 21 -8.771 3.844 8.812 181 HA ASP 21 HA ASP 21 -8.730 5.875 10.740 182 1HB ASP 21 HB2 ASP 21 -9.320 2.944 10.843 183 2HB ASP 21 HB1 ASP 21 -9.165 3.842 12.349 184 H VAL 22 HN VAL 22 -6.537 3.158 10.199 185 HA VAL 22 HA VAL 22 -4.977 3.476 12.525 186 HB VAL 22 HB VAL 22 -4.173 2.422 9.805 187 1HG1 VAL 22 HG11 VAL 22 -2.268 1.392 10.932 188 2HG1 VAL 22 HG12 VAL 22 -2.729 2.176 12.444 189 3HG1 VAL 22 HG13 VAL 22 -2.208 3.149 11.069 190 1HG2 VAL 22 HG21 VAL 22 -4.425 0.224 10.897 191 2HG2 VAL 22 HG22 VAL 22 -5.937 1.131 10.835 192 3HG2 VAL 22 HG23 VAL 22 -5.026 1.037 12.343 193 H LEU 23 HN LEU 23 -4.657 4.875 9.286 194 HA LEU 23 HA LEU 23 -2.232 6.223 9.725 195 1HB LEU 23 HB2 LEU 23 -4.482 6.940 7.845 196 2HB LEU 23 HB1 LEU 23 -2.854 7.586 7.770 197 HG LEU 23 HG LEU 23 -3.618 4.693 7.348 198 1HD1 LEU 23 HD11 LEU 23 -2.980 5.097 5.028 199 2HD1 LEU 23 HD12 LEU 23 -2.690 6.797 5.400 200 3HD1 LEU 23 HD13 LEU 23 -4.322 6.136 5.513 201 1HD2 LEU 23 HD21 LEU 23 -1.290 4.382 6.688 202 2HD2 LEU 23 HD22 LEU 23 -1.405 4.929 8.360 203 3HD2 LEU 23 HD23 LEU 23 -0.942 6.064 7.092 204 H VAL 24 HN VAL 24 -5.578 7.178 10.285 205 HA VAL 24 HA VAL 24 -4.882 9.855 11.088 206 HB VAL 24 HB VAL 24 -7.472 8.344 11.489 207 1HG1 VAL 24 HG11 VAL 24 -8.466 10.567 11.789 208 2HG1 VAL 24 HG12 VAL 24 -6.865 11.297 11.664 209 3HG1 VAL 24 HG13 VAL 24 -7.246 10.233 13.017 210 1HG2 VAL 24 HG21 VAL 24 -6.871 8.565 9.128 211 2HG2 VAL 24 HG22 VAL 24 -6.686 10.305 9.337 212 3HG2 VAL 24 HG23 VAL 24 -8.272 9.557 9.533 213 H LYS 25 HN LYS 25 -5.480 6.785 12.664 214 HA LYS 25 HA LYS 25 -5.691 7.603 15.321 215 1HB LYS 25 HB2 LYS 25 -6.125 5.311 14.541 216 2HB LYS 25 HB1 LYS 25 -4.415 5.098 14.199 217 1HG LYS 25 HG2 LYS 25 -3.865 5.159 16.510 218 2HG LYS 25 HG1 LYS 25 -5.501 5.664 16.948 219 1HD LYS 25 HD2 LYS 25 -5.266 3.321 17.424 220 2HD LYS 25 HD1 LYS 25 -6.343 3.506 16.040 221 1HE LYS 25 HE2 LYS 25 -4.852 1.696 15.575 222 2HE LYS 25 HE1 LYS 25 -4.388 3.056 14.553 223 1HZ LYS 25 HZ1 LYS 25 -2.498 1.884 15.629 224 2HZ LYS 25 HZ2 LYS 25 -3.075 2.413 17.137 225 3HZ LYS 25 HZ3 LYS 25 -2.561 3.546 15.981 226 H GLU 26 HN GLU 26 -2.843 6.945 13.346 227 HA GLU 26 HA GLU 26 -1.027 7.633 15.499 228 1HB GLU 26 HB2 GLU 26 -0.369 7.185 12.584 229 2HB GLU 26 HB1 GLU 26 0.738 7.112 13.949 230 1HG GLU 26 HG2 GLU 26 -1.508 5.198 13.370 231 2HG GLU 26 HG1 GLU 26 0.212 4.891 13.144 232 H GLU 27 HN GLU 27 -2.711 9.177 12.981 233 HA GLU 27 HA GLU 27 -2.658 11.187 11.960 234 1HB GLU 27 HB2 GLU 27 -1.399 11.877 14.600 235 2HB GLU 27 HB1 GLU 27 -1.609 13.094 13.345 236 1HG GLU 27 HG2 GLU 27 -3.985 12.764 13.348 237 2HG GLU 27 HG1 GLU 27 -3.831 11.417 14.474 238 H VAL 28 HN VAL 28 -1.175 9.893 10.573 239 HA VAL 28 HA VAL 28 1.582 10.835 10.568 240 HB VAL 28 HB VAL 28 1.950 9.236 8.770 241 1HG1 VAL 28 HG11 VAL 28 0.330 8.066 11.025 242 2HG1 VAL 28 HG12 VAL 28 2.063 8.396 11.043 243 3HG1 VAL 28 HG13 VAL 28 1.409 7.161 9.966 244 1HG2 VAL 28 HG21 VAL 28 -1.019 8.720 8.919 245 2HG2 VAL 28 HG22 VAL 28 0.133 7.770 7.982 246 3HG2 VAL 28 HG23 VAL 28 -0.152 9.464 7.577 247 H THR 29 HN THR 29 2.511 11.563 8.466 248 HA THR 29 HA THR 29 0.749 13.466 7.151 249 HB THR 29 HB THR 29 2.850 14.177 5.972 250 HG1 THR 29 HG1 THR 29 4.827 13.285 7.059 251 1HG2 THR 29 HG21 THR 29 3.023 14.098 8.989 252 2HG2 THR 29 HG22 THR 29 2.146 15.294 8.034 253 3HG2 THR 29 HG23 THR 29 3.905 15.205 7.936 254 HA PRO 30 HA PRO 30 -0.009 11.133 3.431 255 1HB PRO 30 HB2 PRO 30 1.291 13.312 1.877 256 2HB PRO 30 HB1 PRO 30 -0.311 12.591 1.681 257 1HG PRO 30 HG2 PRO 30 -0.029 15.008 2.764 258 2HG PRO 30 HG1 PRO 30 -1.234 13.864 3.385 259 1HD PRO 30 HD2 PRO 30 1.418 14.636 4.528 260 2HD PRO 30 HD1 PRO 30 -0.106 14.268 5.361 261 H ASP 31 HN ASP 31 3.104 12.829 3.399 262 HA ASP 31 HA ASP 31 4.477 11.081 1.694 263 1HB ASP 31 HB2 ASP 31 5.570 12.798 3.936 264 2HB ASP 31 HB1 ASP 31 6.526 12.086 2.642 265 H LEU 32 HN LEU 32 4.250 11.168 5.236 266 HA LEU 32 HA LEU 32 5.928 8.951 5.718 267 1HB LEU 32 HB2 LEU 32 5.377 10.585 7.444 268 2HB LEU 32 HB1 LEU 32 3.694 10.103 7.389 269 HG LEU 32 HG LEU 32 4.325 7.865 8.228 270 1HD1 LEU 32 HD11 LEU 32 7.073 9.074 8.484 271 2HD1 LEU 32 HD12 LEU 32 6.605 7.785 7.376 272 3HD1 LEU 32 HD13 LEU 32 6.573 7.505 9.117 273 1HD2 LEU 32 HD21 LEU 32 3.615 9.616 9.777 274 2HD2 LEU 32 HD22 LEU 32 5.285 10.162 9.932 275 3HD2 LEU 32 HD23 LEU 32 4.821 8.563 10.514 276 H ALA 33 HN ALA 33 2.430 9.264 5.314 277 HA ALA 33 HA ALA 33 1.668 6.652 5.922 278 1HB ALA 33 HB1 ALA 33 -0.338 7.094 4.613 279 2HB ALA 33 HB2 ALA 33 0.437 8.498 3.878 280 3HB ALA 33 HB3 ALA 33 0.081 8.489 5.605 281 H LEU 34 HN LEU 34 2.583 8.063 2.796 282 HA LEU 34 HA LEU 34 2.226 5.765 1.242 283 1HB LEU 34 HB2 LEU 34 4.156 8.052 0.858 284 2HB LEU 34 HB1 LEU 34 3.789 6.846 -0.360 285 HG LEU 34 HG LEU 34 1.831 8.824 0.811 286 1HD1 LEU 34 HD11 LEU 34 1.855 9.814 -1.418 287 2HD1 LEU 34 HD12 LEU 34 3.089 8.659 -1.923 288 3HD1 LEU 34 HD13 LEU 34 3.457 9.855 -0.681 289 1HD2 LEU 34 HD21 LEU 34 0.766 6.702 0.241 290 2HD2 LEU 34 HD22 LEU 34 1.467 6.780 -1.375 291 3HD2 LEU 34 HD23 LEU 34 0.280 7.983 -0.867 292 H MET 35 HN MET 35 5.124 6.954 2.923 293 HA MET 35 HA MET 35 6.875 4.967 1.997 294 1HB MET 35 HB2 MET 35 7.618 7.043 3.106 295 2HB MET 35 HB1 MET 35 6.964 6.455 4.628 296 1HG MET 35 HG2 MET 35 8.550 4.658 4.684 297 2HG MET 35 HG1 MET 35 9.136 5.073 3.074 298 1HE MET 35 HE1 MET 35 8.899 6.246 6.834 299 2HE MET 35 HE2 MET 35 8.151 7.569 5.936 300 3HE MET 35 HE3 MET 35 9.698 7.815 6.748 301 H CYS 36 HN CYS 36 4.753 5.057 4.834 302 HA CYS 36 HA CYS 36 5.632 2.576 5.900 303 1HB CYS 36 HB2 CYS 36 2.991 3.991 6.316 304 2HB CYS 36 HB1 CYS 36 3.648 2.704 7.320 305 HG CYS 36 HG CYS 36 4.647 5.946 7.101 306 H LEU 37 HN LEU 37 2.802 3.490 3.946 307 HA LEU 37 HA LEU 37 1.651 0.951 3.729 308 1HB LEU 37 HB2 LEU 37 1.606 3.285 1.815 309 2HB LEU 37 HB1 LEU 37 0.612 1.854 1.624 310 HG LEU 37 HG LEU 37 0.492 3.687 4.020 311 1HD1 LEU 37 HD11 LEU 37 -1.582 4.531 3.071 312 2HD1 LEU 37 HD12 LEU 37 -1.350 3.529 1.639 313 3HD1 LEU 37 HD13 LEU 37 -0.226 4.843 1.985 314 1HD2 LEU 37 HD21 LEU 37 -1.321 1.461 3.098 315 2HD2 LEU 37 HD22 LEU 37 -1.595 2.506 4.492 316 3HD2 LEU 37 HD23 LEU 37 -0.221 1.399 4.476 317 H GLY 38 HN GLY 38 4.090 2.553 1.721 318 1HA GLY 38 HA2 GLY 38 4.291 0.674 -0.322 319 2HA GLY 38 HA1 GLY 38 5.599 1.715 0.216 320 H ASN 39 HN ASN 39 6.098 0.781 2.751 321 HA ASN 39 HA ASN 39 7.579 -1.575 2.150 322 1HB ASN 39 HB2 ASN 39 7.128 -0.049 4.709 323 2HB ASN 39 HB1 ASN 39 8.057 -1.544 4.666 324 1HD2 ASN 39 HD21 ASN 39 7.973 1.806 3.798 325 2HD2 ASN 39 HD22 ASN 39 9.635 1.932 3.319 326 H ALA 40 HN ALA 40 4.538 -0.954 3.788 327 HA ALA 40 HA ALA 40 4.131 -3.525 4.868 328 1HB ALA 40 HB1 ALA 40 2.766 -1.602 5.506 329 2HB ALA 40 HB2 ALA 40 1.758 -2.928 4.929 330 3HB ALA 40 HB3 ALA 40 2.077 -1.543 3.884 331 H VAL 41 HN VAL 41 3.158 -2.107 1.753 332 HA VAL 41 HA VAL 41 1.996 -4.393 0.621 333 HB VAL 41 HB VAL 41 3.512 -2.177 -0.785 334 1HG1 VAL 41 HG11 VAL 41 2.279 -2.811 -2.776 335 2HG1 VAL 41 HG12 VAL 41 1.477 -4.110 -1.892 336 3HG1 VAL 41 HG13 VAL 41 3.216 -4.182 -2.179 337 1HG2 VAL 41 HG21 VAL 41 0.563 -2.469 -0.221 338 2HG2 VAL 41 HG22 VAL 41 1.315 -1.176 -1.156 339 3HG2 VAL 41 HG23 VAL 41 1.662 -1.334 0.565 340 H THR 42 HN THR 42 5.322 -3.199 0.530 341 HA THR 42 HA THR 42 6.427 -5.172 -1.119 342 HB THR 42 HB THR 42 7.800 -3.634 1.100 343 HG1 THR 42 HG1 THR 42 6.845 -2.183 -0.326 344 1HG2 THR 42 HG21 THR 42 9.135 -5.508 0.207 345 2HG2 THR 42 HG22 THR 42 9.829 -3.940 -0.212 346 3HG2 THR 42 HG23 THR 42 8.931 -4.859 -1.420 347 H ASN 43 HN ASN 43 5.617 -5.221 2.277 348 HA ASN 43 HA ASN 43 7.116 -7.568 2.932 349 1HB ASN 43 HB2 ASN 43 6.392 -5.983 4.673 350 2HB ASN 43 HB1 ASN 43 4.709 -6.353 4.314 351 1HD2 ASN 43 HD21 ASN 43 4.257 -7.104 6.356 352 2HD2 ASN 43 HD22 ASN 43 4.888 -8.592 6.969 353 H ILE 44 HN ILE 44 3.740 -6.939 2.055 354 HA ILE 44 HA ILE 44 2.844 -9.610 2.317 355 HB ILE 44 HB ILE 44 1.712 -7.429 0.554 356 1HG1 ILE 44 HG12 ILE 44 1.863 -6.709 2.893 357 2HG1 ILE 44 HG11 ILE 44 0.184 -6.974 2.436 358 1HG2 ILE 44 HG21 ILE 44 -0.396 -8.671 0.733 359 2HG2 ILE 44 HG22 ILE 44 0.436 -9.937 1.638 360 3HG2 ILE 44 HG23 ILE 44 0.867 -9.627 -0.044 361 1HD1 ILE 44 HD11 ILE 44 0.669 -7.814 4.671 362 2HD1 ILE 44 HD12 ILE 44 1.896 -8.892 4.002 363 3HD1 ILE 44 HD13 ILE 44 0.199 -9.114 3.578 364 H ILE 45 HN ILE 45 4.112 -7.765 -0.417 365 HA ILE 45 HA ILE 45 3.688 -9.802 -2.361 366 HB ILE 45 HB ILE 45 5.579 -7.443 -2.424 367 1HG1 ILE 45 HG12 ILE 45 2.762 -7.750 -3.479 368 2HG1 ILE 45 HG11 ILE 45 3.246 -6.771 -2.098 369 1HG2 ILE 45 HG21 ILE 45 5.353 -7.694 -4.910 370 2HG2 ILE 45 HG22 ILE 45 4.592 -9.259 -4.613 371 3HG2 ILE 45 HG23 ILE 45 6.259 -8.977 -4.111 372 1HD1 ILE 45 HD11 ILE 45 2.876 -5.391 -4.051 373 2HD1 ILE 45 HD12 ILE 45 4.057 -6.328 -4.963 374 3HD1 ILE 45 HD13 ILE 45 4.576 -5.354 -3.587 375 H ALA 46 HN ALA 46 6.018 -9.393 0.100 376 HA ALA 46 HA ALA 46 8.108 -10.899 -1.232 377 1HB ALA 46 HB1 ALA 46 7.891 -10.025 1.646 378 2HB ALA 46 HB2 ALA 46 8.708 -9.141 0.356 379 3HB ALA 46 HB3 ALA 46 9.320 -10.712 0.874 380 H GLN 47 HN GLN 47 5.237 -11.675 0.224 381 HA GLN 47 HA GLN 47 6.150 -14.091 1.548 382 1HB GLN 47 HB2 GLN 47 3.369 -12.990 1.108 383 2HB GLN 47 HB1 GLN 47 3.748 -14.414 2.069 384 1HG GLN 47 HG2 GLN 47 4.989 -13.089 3.644 385 2HG GLN 47 HG1 GLN 47 4.802 -11.654 2.638 386 1HE2 GLN 47 HE21 GLN 47 3.821 -10.508 4.266 387 2HE2 GLN 47 HE22 GLN 47 2.206 -10.826 4.793 388 H VAL 48 HN VAL 48 5.339 -13.182 -1.567 389 HA VAL 48 HA VAL 48 4.532 -15.908 -2.303 390 HB VAL 48 HB VAL 48 3.832 -14.969 -4.465 391 1HG1 VAL 48 HG11 VAL 48 1.876 -13.726 -3.667 392 2HG1 VAL 48 HG12 VAL 48 2.639 -13.547 -2.088 393 3HG1 VAL 48 HG13 VAL 48 2.198 -15.149 -2.675 394 1HG2 VAL 48 HG21 VAL 48 3.698 -12.532 -4.767 395 2HG2 VAL 48 HG22 VAL 48 5.362 -13.103 -4.640 396 3HG2 VAL 48 HG23 VAL 48 4.593 -12.311 -3.263 397 HA PRO 49 HA PRO 49 8.368 -16.884 -4.305 398 1HB PRO 49 HB2 PRO 49 7.376 -17.773 -6.758 399 2HB PRO 49 HB1 PRO 49 7.575 -18.765 -5.312 400 1HG PRO 49 HG2 PRO 49 5.127 -17.434 -6.376 401 2HG PRO 49 HG1 PRO 49 5.296 -19.011 -5.580 402 1HD PRO 49 HD2 PRO 49 4.309 -16.894 -4.273 403 2HD PRO 49 HD1 PRO 49 5.358 -18.071 -3.457 404 H GLU 50 HN GLU 50 9.830 -15.847 -5.595 405 HA GLU 50 HA GLU 50 9.136 -13.239 -6.404 406 1HB GLU 50 HB2 GLU 50 11.475 -13.108 -7.245 407 2HB GLU 50 HB1 GLU 50 11.321 -13.616 -5.571 408 1HG GLU 50 HG2 GLU 50 11.370 -16.010 -6.695 409 2HG GLU 50 HG1 GLU 50 12.251 -15.122 -7.937 410 H SER 51 HN SER 51 9.051 -16.204 -8.120 411 HA SER 51 HA SER 51 9.187 -15.322 -10.765 412 1HB SER 51 HB2 SER 51 9.040 -17.693 -10.169 413 2HB SER 51 HB1 SER 51 7.403 -17.457 -9.559 414 HG SER 51 HG SER 51 7.805 -16.616 -12.165 415 H LYS 52 HN LYS 52 6.471 -15.296 -8.483 416 HA LYS 52 HA LYS 52 4.772 -13.900 -10.412 417 1HB LYS 52 HB2 LYS 52 4.268 -15.045 -7.666 418 2HB LYS 52 HB1 LYS 52 3.094 -14.033 -8.492 419 1HG LYS 52 HG2 LYS 52 2.889 -15.628 -10.274 420 2HG LYS 52 HG1 LYS 52 4.188 -16.609 -9.590 421 1HD LYS 52 HD2 LYS 52 2.877 -17.181 -7.694 422 2HD LYS 52 HD1 LYS 52 1.649 -15.980 -8.095 423 1HE LYS 52 HE2 LYS 52 2.304 -18.343 -9.840 424 2HE LYS 52 HE1 LYS 52 1.047 -18.367 -8.605 425 1HZ LYS 52 HZ1 LYS 52 0.075 -17.872 -10.723 426 2HZ LYS 52 HZ2 LYS 52 1.151 -16.588 -10.986 427 3HZ LYS 52 HZ3 LYS 52 -0.011 -16.484 -9.756 428 H ARG 53 HN ARG 53 6.727 -13.355 -7.660 429 HA ARG 53 HA ARG 53 5.614 -11.186 -6.395 430 1HB ARG 53 HB2 ARG 53 7.617 -12.560 -5.738 431 2HB ARG 53 HB1 ARG 53 8.561 -11.603 -6.871 432 1HG ARG 53 HG2 ARG 53 8.080 -9.597 -5.580 433 2HG ARG 53 HG1 ARG 53 7.103 -10.552 -4.461 434 1HD ARG 53 HD2 ARG 53 10.051 -10.907 -4.989 435 2HD ARG 53 HD1 ARG 53 9.335 -10.170 -3.556 436 HE ARG 53 HE ARG 53 8.276 -12.756 -3.873 437 1HH1 ARG 53 HH11 ARG 53 11.303 -11.194 -3.063 438 2HH1 ARG 53 HH12 ARG 53 11.849 -12.493 -2.058 439 1HH2 ARG 53 HH21 ARG 53 8.973 -14.453 -2.544 440 2HH2 ARG 53 HH22 ARG 53 10.522 -14.366 -1.768 441 H VAL 54 HN VAL 54 7.902 -11.133 -9.113 442 HA VAL 54 HA VAL 54 8.079 -8.315 -9.295 443 HB VAL 54 HB VAL 54 8.531 -10.339 -11.497 444 1HG1 VAL 54 HG11 VAL 54 9.993 -8.642 -12.468 445 2HG1 VAL 54 HG12 VAL 54 9.579 -7.530 -11.163 446 3HG1 VAL 54 HG13 VAL 54 8.342 -8.042 -12.311 447 1HG2 VAL 54 HG21 VAL 54 10.450 -9.237 -9.445 448 2HG2 VAL 54 HG22 VAL 54 10.900 -10.239 -10.825 449 3HG2 VAL 54 HG23 VAL 54 9.869 -10.899 -9.557 450 H ALA 55 HN ALA 55 6.060 -10.687 -10.979 451 HA ALA 55 HA ALA 55 4.863 -8.878 -12.783 452 1HB ALA 55 HB1 ALA 55 3.222 -10.627 -13.183 453 2HB ALA 55 HB2 ALA 55 3.764 -11.488 -11.742 454 3HB ALA 55 HB3 ALA 55 4.850 -11.303 -13.120 455 H VAL 56 HN VAL 56 3.879 -10.058 -9.597 456 HA VAL 56 HA VAL 56 1.338 -8.848 -9.573 457 HB VAL 56 HB VAL 56 3.108 -9.632 -7.247 458 1HG1 VAL 56 HG11 VAL 56 1.074 -9.574 -5.888 459 2HG1 VAL 56 HG12 VAL 56 0.166 -8.955 -7.268 460 3HG1 VAL 56 HG13 VAL 56 1.447 -7.981 -6.546 461 1HG2 VAL 56 HG21 VAL 56 1.636 -11.598 -7.134 462 2HG2 VAL 56 HG22 VAL 56 2.514 -11.508 -8.661 463 3HG2 VAL 56 HG23 VAL 56 0.811 -11.049 -8.594 464 H VAL 57 HN VAL 57 4.479 -7.701 -8.305 465 HA VAL 57 HA VAL 57 3.386 -5.396 -7.099 466 HB VAL 57 HB VAL 57 5.579 -6.237 -6.420 467 1HG1 VAL 57 HG11 VAL 57 7.576 -5.795 -7.780 468 2HG1 VAL 57 HG12 VAL 57 6.544 -5.261 -9.105 469 3HG1 VAL 57 HG13 VAL 57 6.481 -6.937 -8.559 470 1HG2 VAL 57 HG21 VAL 57 5.031 -3.949 -5.908 471 2HG2 VAL 57 HG22 VAL 57 5.615 -3.419 -7.485 472 3HG2 VAL 57 HG23 VAL 57 6.746 -4.071 -6.299 473 H ASP 58 HN ASP 58 4.663 -5.949 -10.372 474 HA ASP 58 HA ASP 58 4.587 -3.183 -11.064 475 1HB ASP 58 HB2 ASP 58 5.969 -4.737 -12.361 476 2HB ASP 58 HB1 ASP 58 4.518 -5.568 -12.920 477 H ASN 59 HN ASN 59 2.298 -5.861 -11.493 478 HA ASN 59 HA ASN 59 0.361 -4.346 -12.886 479 1HB ASN 59 HB2 ASN 59 0.254 -6.890 -11.303 480 2HB ASN 59 HB1 ASN 59 -1.245 -6.122 -11.818 481 1HD2 ASN 59 HD21 ASN 59 1.674 -7.702 -12.859 482 2HD2 ASN 59 HD22 ASN 59 1.181 -7.981 -14.498 483 H PHE 60 HN PHE 60 1.000 -4.851 -9.477 484 HA PHE 60 HA PHE 60 -1.156 -3.455 -8.360 485 1HB PHE 60 HB2 PHE 60 0.532 -4.782 -7.076 486 2HB PHE 60 HB1 PHE 60 1.712 -3.511 -7.390 487 HD1 PHE 60 HD1 PHE 60 -1.680 -3.966 -5.903 488 HD2 PHE 60 HD2 PHE 60 2.027 -1.880 -5.830 489 HE1 PHE 60 HE1 PHE 60 -2.385 -2.787 -3.861 490 HE2 PHE 60 HE2 PHE 60 1.328 -0.696 -3.793 491 HZ PHE 60 HZ PHE 60 -0.875 -1.148 -2.806 492 H THR 61 HN THR 61 2.098 -2.317 -9.197 493 HA THR 61 HA THR 61 1.646 0.374 -8.556 494 HB THR 61 HB THR 61 3.701 0.812 -9.904 495 HG1 THR 61 HG1 THR 61 3.069 -1.502 -11.053 496 1HG2 THR 61 HG21 THR 61 3.785 -1.479 -7.943 497 2HG2 THR 61 HG22 THR 61 3.907 0.244 -7.574 498 3HG2 THR 61 HG23 THR 61 5.195 -0.560 -8.474 499 H LYS 62 HN LYS 62 1.248 -1.421 -11.545 500 HA LYS 62 HA LYS 62 0.784 0.735 -13.289 501 1HB LYS 62 HB2 LYS 62 1.086 -1.867 -13.672 502 2HB LYS 62 HB1 LYS 62 -0.669 -1.865 -13.591 503 1HG LYS 62 HG2 LYS 62 -0.749 -0.268 -15.441 504 2HG LYS 62 HG1 LYS 62 1.014 -0.291 -15.529 505 1HD LYS 62 HD2 LYS 62 -0.873 -2.588 -16.031 506 2HD LYS 62 HD1 LYS 62 0.150 -1.770 -17.212 507 1HE LYS 62 HE2 LYS 62 1.122 -3.386 -14.854 508 2HE LYS 62 HE1 LYS 62 1.074 -3.942 -16.525 509 1HZ LYS 62 HZ1 LYS 62 2.662 -1.620 -15.565 510 2HZ LYS 62 HZ2 LYS 62 2.673 -2.274 -17.130 511 3HZ LYS 62 HZ3 LYS 62 3.283 -3.176 -15.825 512 H ALA 63 HN ALA 63 -1.434 -1.281 -11.386 513 HA ALA 63 HA ALA 63 -3.803 0.061 -12.161 514 1HB ALA 63 HB1 ALA 63 -3.803 -2.216 -11.270 515 2HB ALA 63 HB2 ALA 63 -4.865 -1.157 -10.341 516 3HB ALA 63 HB3 ALA 63 -3.282 -1.602 -9.701 517 H LEU 64 HN LEU 64 -1.459 0.584 -9.616 518 HA LEU 64 HA LEU 64 -2.873 2.342 -7.984 519 1HB LEU 64 HB2 LEU 64 -0.014 1.852 -8.569 520 2HB LEU 64 HB1 LEU 64 -0.403 3.391 -7.824 521 HG LEU 64 HG LEU 64 -1.170 0.705 -6.678 522 1HD1 LEU 64 HD11 LEU 64 0.608 1.085 -5.069 523 2HD1 LEU 64 HD12 LEU 64 1.046 2.586 -5.885 524 3HD1 LEU 64 HD13 LEU 64 1.257 1.041 -6.708 525 1HD2 LEU 64 HD21 LEU 64 -1.629 2.049 -4.655 526 2HD2 LEU 64 HD22 LEU 64 -2.674 2.484 -6.007 527 3HD2 LEU 64 HD23 LEU 64 -1.306 3.514 -5.583 528 H LYS 65 HN LYS 65 -0.645 3.220 -10.646 529 HA LYS 65 HA LYS 65 -1.235 5.964 -10.497 530 1HB LYS 65 HB2 LYS 65 -0.244 4.439 -12.915 531 2HB LYS 65 HB1 LYS 65 -0.120 6.174 -12.653 532 1HG LYS 65 HG2 LYS 65 1.203 5.564 -10.545 533 2HG LYS 65 HG1 LYS 65 1.334 3.959 -11.258 534 1HD LYS 65 HD2 LYS 65 2.224 6.512 -12.601 535 2HD LYS 65 HD1 LYS 65 3.288 5.429 -11.712 536 1HE LYS 65 HE2 LYS 65 3.617 4.794 -13.921 537 2HE LYS 65 HE1 LYS 65 2.443 3.615 -13.340 538 1HZ LYS 65 HZ1 LYS 65 0.717 4.672 -14.490 539 2HZ LYS 65 HZ2 LYS 65 2.007 4.667 -15.586 540 3HZ LYS 65 HZ3 LYS 65 1.616 6.087 -14.745 541 H GLN 66 HN GLN 66 -2.703 3.347 -12.301 542 HA GLN 66 HA GLN 66 -4.379 4.905 -13.947 543 1HB GLN 66 HB2 GLN 66 -4.558 2.074 -12.946 544 2HB GLN 66 HB1 GLN 66 -5.777 2.768 -14.005 545 1HG GLN 66 HG2 GLN 66 -2.845 2.568 -14.649 546 2HG GLN 66 HG1 GLN 66 -4.087 1.448 -15.208 547 1HE2 GLN 66 HE21 GLN 66 -5.602 2.144 -16.718 548 2HE2 GLN 66 HE22 GLN 66 -5.339 3.551 -17.699 549 H SER 67 HN SER 67 -4.953 3.401 -10.768 550 HA SER 67 HA SER 67 -7.681 4.184 -10.682 551 1HB SER 67 HB2 SER 67 -7.528 3.517 -8.266 552 2HB SER 67 HB1 SER 67 -7.001 2.274 -9.401 553 HG SER 67 HG SER 67 -4.941 2.577 -8.815 554 H VAL 68 HN VAL 68 -4.721 5.789 -9.825 555 HA VAL 68 HA VAL 68 -5.915 7.780 -8.155 556 HB VAL 68 HB VAL 68 -3.292 7.800 -9.666 557 1HG1 VAL 68 HG11 VAL 68 -4.282 9.736 -7.567 558 2HG1 VAL 68 HG12 VAL 68 -4.074 10.094 -9.280 559 3HG1 VAL 68 HG13 VAL 68 -2.671 9.721 -8.281 560 1HG2 VAL 68 HG21 VAL 68 -3.921 7.358 -6.748 561 2HG2 VAL 68 HG22 VAL 68 -2.307 7.422 -7.455 562 3HG2 VAL 68 HG23 VAL 68 -3.413 6.125 -7.901 563 H LEU 69 HN LEU 69 -4.979 7.664 -11.581 564 HA LEU 69 HA LEU 69 -5.904 10.307 -12.142 565 1HB LEU 69 HB2 LEU 69 -5.386 8.007 -14.029 566 2HB LEU 69 HB1 LEU 69 -5.618 9.679 -14.499 567 HG LEU 69 HG LEU 69 -3.323 8.624 -12.846 568 1HD1 LEU 69 HD11 LEU 69 -1.973 9.155 -14.824 569 2HD1 LEU 69 HD12 LEU 69 -3.441 9.580 -15.703 570 3HD1 LEU 69 HD13 LEU 69 -3.184 7.919 -15.167 571 1HD2 LEU 69 HD21 LEU 69 -2.385 10.875 -13.118 572 2HD2 LEU 69 HD22 LEU 69 -3.903 10.903 -12.221 573 3HD2 LEU 69 HD23 LEU 69 -3.871 11.393 -13.914 574 H GLU 70 HN GLU 70 -7.283 7.086 -12.409 575 HA GLU 70 HA GLU 70 -9.755 8.129 -13.557 576 1HB GLU 70 HB2 GLU 70 -8.864 5.308 -12.936 577 2HB GLU 70 HB1 GLU 70 -10.369 5.735 -13.737 578 1HG GLU 70 HG2 GLU 70 -7.633 6.392 -14.802 579 2HG GLU 70 HG1 GLU 70 -8.577 4.979 -15.272 580 H HIS 71 HN HIS 71 -8.924 8.709 -10.765 581 HA HIS 71 HA HIS 71 -10.703 7.174 -9.089 582 1HB HIS 71 HB2 HIS 71 -8.552 8.091 -8.238 583 2HB HIS 71 HB1 HIS 71 -9.187 9.718 -8.461 584 HD1 HIS 71 HD1 HIS 71 -9.881 10.673 -6.287 585 HD2 HIS 71 HD2 HIS 71 -10.605 6.585 -6.467 586 HE1 HIS 71 HE1 HIS 71 -10.899 10.068 -4.066 587 HE2 HIS 71 HE2 HIS 71 -11.263 7.569 -4.167 588 H HIS 72 HN HIS 72 -12.797 7.538 -8.904 589 HA HIS 72 HA HIS 72 -14.276 9.480 -10.124 590 1HB HIS 72 HB2 HIS 72 -16.053 9.033 -8.389 591 2HB HIS 72 HB1 HIS 72 -15.427 7.612 -9.212 592 HD1 HIS 72 HD1 HIS 72 -14.240 5.863 -7.812 593 HD2 HIS 72 HD2 HIS 72 -15.353 9.229 -5.641 594 HE1 HIS 72 HE1 HIS 72 -13.933 5.241 -5.393 595 HE2 HIS 72 HE2 HIS 72 -14.854 7.203 -4.107 596 H HIS 73 HN HIS 73 -14.889 11.505 -9.778 597 HA HIS 73 HA HIS 73 -13.988 12.860 -7.335 598 1HB HIS 73 HB2 HIS 73 -12.262 13.177 -9.073 599 2HB HIS 73 HB1 HIS 73 -13.483 13.799 -10.173 600 HD1 HIS 73 HD1 HIS 73 -11.967 14.713 -6.801 601 HD2 HIS 73 HD2 HIS 73 -13.717 16.498 -10.117 602 HE1 HIS 73 HE1 HIS 73 -11.703 17.187 -6.451 603 HE2 HIS 73 HE2 HIS 73 -12.568 18.232 -8.576 604 H HIS 74 HN HIS 74 -15.285 14.567 -6.701 605 HA HIS 74 HA HIS 74 -17.936 14.651 -7.781 606 1HB HIS 74 HB2 HIS 74 -16.558 16.344 -5.691 607 2HB HIS 74 HB1 HIS 74 -18.234 16.583 -6.166 608 HD1 HIS 74 HD1 HIS 74 -19.949 15.198 -4.978 609 HD2 HIS 74 HD2 HIS 74 -16.078 13.748 -4.451 610 HE1 HIS 74 HE1 HIS 74 -20.132 13.357 -3.269 611 HE2 HIS 74 HE2 HIS 74 -17.780 12.507 -2.946 612 H HIS 75 HN HIS 75 -17.714 15.254 -9.918 613 HA HIS 75 HA HIS 75 -16.435 17.701 -10.688 614 1HB HIS 75 HB2 HIS 75 -16.616 15.773 -12.223 615 2HB HIS 75 HB1 HIS 75 -18.366 15.941 -12.224 616 HD1 HIS 75 HD1 HIS 75 -15.259 17.375 -13.695 617 HD2 HIS 75 HD2 HIS 75 -19.354 18.109 -13.732 618 HE1 HIS 75 HE1 HIS 75 -15.646 18.982 -15.589 619 HE2 HIS 75 HE2 HIS 75 -18.100 19.549 -15.478 620 H HIS 76 HN HIS 76 -17.301 19.462 -9.757 621 HA HIS 76 HA HIS 76 -19.972 20.252 -10.498 622 1HB HIS 76 HB2 HIS 76 -20.365 18.863 -8.490 623 2HB HIS 76 HB1 HIS 76 -19.245 19.869 -7.582 624 HD1 HIS 76 HD1 HIS 76 -22.338 20.594 -9.708 625 HD2 HIS 76 HD2 HIS 76 -20.630 21.581 -6.043 626 HE1 HIS 76 HE1 HIS 76 -23.967 22.147 -8.593 627 HE2 HIS 76 HE2 HIS 76 -23.009 22.562 -6.301 628 1H MET 1 HT1 MET 1 11.880 23.983 16.120 629 2H MET 1 HT2 MET 1 10.255 24.454 15.980 630 3H MET 1 HT3 MET 1 11.466 25.343 15.193 631 HA MET 1 HA MET 1 11.991 23.426 13.816 632 1HB MET 1 HB2 MET 1 11.156 21.726 15.431 633 2HB MET 1 HB1 MET 1 9.510 22.243 15.089 634 1HG MET 1 HG2 MET 1 9.752 21.550 12.776 635 2HG MET 1 HG1 MET 1 11.423 21.080 13.078 636 1HE MET 1 HE1 MET 1 7.649 20.289 13.749 637 2HE MET 1 HE2 MET 1 8.252 20.580 15.380 638 3HE MET 1 HE3 MET 1 7.752 18.958 14.901 639 HA PRO 2 HA PRO 2 9.444 25.947 11.191 640 1HB PRO 2 HB2 PRO 2 10.007 24.624 8.847 641 2HB PRO 2 HB1 PRO 2 11.050 25.848 9.578 642 1HG PRO 2 HG2 PRO 2 11.236 22.863 9.722 643 2HG PRO 2 HG1 PRO 2 12.532 24.054 9.510 644 1HD PRO 2 HD2 PRO 2 12.067 22.894 11.885 645 2HD PRO 2 HD1 PRO 2 12.574 24.592 11.767 646 H ILE 3 HN ILE 3 9.181 23.181 9.147 647 HA ILE 3 HA ILE 3 6.552 22.492 10.257 648 HB ILE 3 HB ILE 3 5.601 22.335 7.972 649 1HG1 ILE 3 HG12 ILE 3 8.107 23.820 7.141 650 2HG1 ILE 3 HG11 ILE 3 7.741 22.142 6.749 651 1HG2 ILE 3 HG21 ILE 3 6.582 25.076 8.758 652 2HG2 ILE 3 HG22 ILE 3 5.121 24.277 9.342 653 3HG2 ILE 3 HG23 ILE 3 5.254 24.741 7.647 654 1HD1 ILE 3 HD11 ILE 3 7.286 23.617 4.876 655 2HD1 ILE 3 HD12 ILE 3 6.154 24.541 5.864 656 3HD1 ILE 3 HD13 ILE 3 5.805 22.859 5.459 657 H VAL 4 HN VAL 4 9.517 21.432 9.434 658 HA VAL 4 HA VAL 4 8.529 18.800 8.586 659 HB VAL 4 HB VAL 4 9.885 19.831 6.837 660 1HG1 VAL 4 HG11 VAL 4 12.105 19.903 8.875 661 2HG1 VAL 4 HG12 VAL 4 11.259 21.299 8.206 662 3HG1 VAL 4 HG13 VAL 4 12.259 20.292 7.161 663 1HG2 VAL 4 HG21 VAL 4 9.966 17.421 7.037 664 2HG2 VAL 4 HG22 VAL 4 11.276 17.536 8.214 665 3HG2 VAL 4 HG23 VAL 4 11.544 18.036 6.544 666 H SER 5 HN SER 5 8.770 17.221 9.973 667 HA SER 5 HA SER 5 10.687 17.518 12.169 668 1HB SER 5 HB2 SER 5 8.332 17.029 12.787 669 2HB SER 5 HB1 SER 5 8.409 15.538 11.848 670 HG SER 5 HG SER 5 8.922 15.666 14.319 671 H LYS 6 HN LYS 6 11.952 15.594 12.759 672 HA LYS 6 HA LYS 6 13.028 14.371 10.361 673 1HB LYS 6 HB2 LYS 6 14.856 13.607 11.725 674 2HB LYS 6 HB1 LYS 6 14.542 15.292 12.101 675 1HG LYS 6 HG2 LYS 6 13.396 13.088 13.776 676 2HG LYS 6 HG1 LYS 6 15.039 13.678 14.025 677 1HD LYS 6 HD2 LYS 6 12.526 15.349 14.128 678 2HD LYS 6 HD1 LYS 6 13.444 14.780 15.523 679 1HE LYS 6 HE2 LYS 6 14.433 16.651 13.373 680 2HE LYS 6 HE1 LYS 6 14.003 17.094 15.023 681 1HZ LYS 6 HZ1 LYS 6 16.376 16.886 14.808 682 2HZ LYS 6 HZ2 LYS 6 16.231 15.307 14.216 683 3HZ LYS 6 HZ3 LYS 6 15.797 15.649 15.817 684 H TYR 7 HN TYR 7 10.507 13.692 12.225 685 HA TYR 7 HA TYR 7 9.188 11.881 12.549 686 1HB TYR 7 HB2 TYR 7 11.007 10.744 10.423 687 2HB TYR 7 HB1 TYR 7 9.608 9.882 11.054 688 HD1 TYR 7 HD1 TYR 7 7.338 10.717 10.613 689 HD2 TYR 7 HD2 TYR 7 10.750 12.568 8.872 690 HE1 TYR 7 HE1 TYR 7 5.889 11.836 8.981 691 HE2 TYR 7 HE2 TYR 7 9.306 13.701 7.234 692 HH TYR 7 HH TYR 7 7.113 13.445 6.226 693 H SER 8 HN SER 8 10.056 9.107 12.338 694 HA SER 8 HA SER 8 12.202 8.662 14.162 695 1HB SER 8 HB2 SER 8 10.463 9.392 15.758 696 2HB SER 8 HB1 SER 8 9.364 8.173 15.122 697 HG SER 8 HG SER 8 10.324 7.370 16.966 698 H ASN 9 HN ASN 9 13.040 6.742 13.628 699 HA ASN 9 HA ASN 9 11.914 5.223 11.536 700 1HB ASN 9 HB2 ASN 9 14.340 5.358 11.968 701 2HB ASN 9 HB1 ASN 9 14.123 4.434 13.450 702 1HD2 ASN 9 HD21 ASN 9 14.085 4.334 9.969 703 2HD2 ASN 9 HD22 ASN 9 14.161 2.607 9.823 704 H GLU 10 HN GLU 10 12.130 4.604 15.032 705 HA GLU 10 HA GLU 10 10.907 2.062 14.982 706 1HB GLU 10 HB2 GLU 10 10.524 2.387 17.378 707 2HB GLU 10 HB1 GLU 10 12.150 2.882 16.926 708 1HG GLU 10 HG2 GLU 10 11.454 5.217 16.948 709 2HG GLU 10 HG1 GLU 10 9.815 4.729 17.379 710 H ARG 11 HN ARG 11 9.612 5.298 14.990 711 HA ARG 11 HA ARG 11 6.922 4.616 15.552 712 1HB ARG 11 HB2 ARG 11 7.614 6.886 15.833 713 2HB ARG 11 HB1 ARG 11 8.174 6.988 14.171 714 1HG ARG 11 HG2 ARG 11 5.949 6.982 13.335 715 2HG ARG 11 HG1 ARG 11 5.293 6.567 14.922 716 1HD ARG 11 HD2 ARG 11 5.936 8.697 15.810 717 2HD ARG 11 HD1 ARG 11 6.804 9.107 14.334 718 HE ARG 11 HE ARG 11 4.793 9.595 13.298 719 1HH1 ARG 11 HH11 ARG 11 4.200 8.189 16.461 720 2HH1 ARG 11 HH12 ARG 11 2.549 8.742 16.528 721 1HH2 ARG 11 HH21 ARG 11 2.655 10.331 13.386 722 2HH2 ARG 11 HH22 ARG 11 1.656 9.937 14.754 723 H VAL 12 HN VAL 12 8.726 5.080 12.536 724 HA VAL 12 HA VAL 12 6.590 4.566 10.772 725 HB VAL 12 HB VAL 12 9.548 4.072 10.356 726 1HG1 VAL 12 HG11 VAL 12 7.321 4.321 8.335 727 2HG1 VAL 12 HG12 VAL 12 8.222 2.853 8.719 728 3HG1 VAL 12 HG13 VAL 12 9.040 4.219 7.959 729 1HG2 VAL 12 HG21 VAL 12 7.827 6.465 9.704 730 2HG2 VAL 12 HG22 VAL 12 9.506 6.256 9.208 731 3HG2 VAL 12 HG23 VAL 12 9.103 6.386 10.921 732 H GLU 13 HN GLU 13 9.003 2.460 12.265 733 HA GLU 13 HA GLU 13 8.307 0.027 11.086 734 1HB GLU 13 HB2 GLU 13 10.277 0.527 12.618 735 2HB GLU 13 HB1 GLU 13 9.158 0.381 13.965 736 1HG GLU 13 HG2 GLU 13 10.131 -1.705 13.875 737 2HG GLU 13 HG1 GLU 13 8.628 -1.941 12.983 738 H LYS 14 HN LYS 14 6.998 1.682 13.923 739 HA LYS 14 HA LYS 14 5.204 -0.334 14.728 740 1HB LYS 14 HB2 LYS 14 5.809 1.493 16.221 741 2HB LYS 14 HB1 LYS 14 5.054 2.658 15.139 742 1HG LYS 14 HG2 LYS 14 2.886 1.466 15.517 743 2HG LYS 14 HG1 LYS 14 3.701 0.515 16.759 744 1HD LYS 14 HD2 LYS 14 4.224 2.555 17.986 745 2HD LYS 14 HD1 LYS 14 3.436 3.518 16.736 746 1HE LYS 14 HE2 LYS 14 2.103 1.428 18.452 747 2HE LYS 14 HE1 LYS 14 1.983 3.171 18.681 748 1HZ LYS 14 HZ1 LYS 14 1.050 1.674 16.280 749 2HZ LYS 14 HZ2 LYS 14 0.920 3.354 16.517 750 3HZ LYS 14 HZ3 LYS 14 0.065 2.286 17.516 751 H ILE 15 HN ILE 15 4.782 2.481 12.611 752 HA ILE 15 HA ILE 15 2.023 2.258 12.213 753 HB ILE 15 HB ILE 15 4.066 3.287 10.237 754 1HG1 ILE 15 HG12 ILE 15 2.449 4.828 12.275 755 2HG1 ILE 15 HG11 ILE 15 4.121 4.335 12.522 756 1HG2 ILE 15 HG21 ILE 15 2.189 4.606 9.342 757 2HG2 ILE 15 HG22 ILE 15 1.100 3.794 10.466 758 3HG2 ILE 15 HG23 ILE 15 1.905 2.871 9.197 759 1HD1 ILE 15 HD11 ILE 15 3.968 6.653 11.819 760 2HD1 ILE 15 HD12 ILE 15 3.130 6.159 10.346 761 3HD1 ILE 15 HD13 ILE 15 4.806 5.675 10.612 762 H ILE 16 HN ILE 16 4.723 0.807 10.437 763 HA ILE 16 HA ILE 16 3.201 -0.546 8.496 764 HB ILE 16 HB ILE 16 5.829 -1.413 9.717 765 1HG1 ILE 16 HG12 ILE 16 5.296 0.240 7.240 766 2HG1 ILE 16 HG11 ILE 16 5.857 0.885 8.777 767 1HG2 ILE 16 HG21 ILE 16 4.543 -2.154 7.088 768 2HG2 ILE 16 HG22 ILE 16 4.743 -3.214 8.485 769 3HG2 ILE 16 HG23 ILE 16 6.159 -2.630 7.612 770 1HD1 ILE 16 HD11 ILE 16 7.670 0.641 7.171 771 2HD1 ILE 16 HD12 ILE 16 7.342 -1.089 7.061 772 3HD1 ILE 16 HD13 ILE 16 7.912 -0.395 8.579 773 H GLN 17 HN GLN 17 4.195 -1.446 11.764 774 HA GLN 17 HA GLN 17 3.171 -4.083 11.724 775 1HB GLN 17 HB2 GLN 17 4.825 -3.305 13.373 776 2HB GLN 17 HB1 GLN 17 3.624 -2.229 14.071 777 1HG GLN 17 HG2 GLN 17 3.884 -4.213 15.428 778 2HG GLN 17 HG1 GLN 17 2.271 -4.156 14.718 779 1HE2 GLN 17 HE21 GLN 17 1.697 -5.642 13.155 780 2HE2 GLN 17 HE22 GLN 17 2.621 -7.075 12.852 781 H ASP 18 HN ASP 18 1.782 -0.971 12.661 782 HA ASP 18 HA ASP 18 -0.682 -1.886 13.643 783 1HB ASP 18 HB2 ASP 18 0.312 0.689 12.515 784 2HB ASP 18 HB1 ASP 18 -1.429 0.472 12.644 785 H LEU 19 HN LEU 19 0.333 -1.048 10.362 786 HA LEU 19 HA LEU 19 -2.146 -1.496 9.093 787 1HB LEU 19 HB2 LEU 19 0.640 -1.841 7.977 788 2HB LEU 19 HB1 LEU 19 -0.828 -1.703 7.030 789 HG LEU 19 HG LEU 19 0.252 0.465 8.833 790 1HD1 LEU 19 HD11 LEU 19 0.892 1.597 6.766 791 2HD1 LEU 19 HD12 LEU 19 0.397 0.183 5.836 792 3HD1 LEU 19 HD13 LEU 19 1.749 0.069 6.963 793 1HD2 LEU 19 HD21 LEU 19 -1.379 1.885 7.725 794 2HD2 LEU 19 HD22 LEU 19 -2.182 0.525 8.512 795 3HD2 LEU 19 HD23 LEU 19 -1.942 0.518 6.764 796 H LEU 20 HN LEU 20 0.614 -3.604 9.742 797 HA LEU 20 HA LEU 20 -0.405 -5.920 8.499 798 1HB LEU 20 HB2 LEU 20 1.518 -5.667 10.813 799 2HB LEU 20 HB1 LEU 20 1.215 -7.146 9.922 800 HG LEU 20 HG LEU 20 2.406 -4.621 8.776 801 1HD1 LEU 20 HD11 LEU 20 3.891 -5.821 10.332 802 2HD1 LEU 20 HD12 LEU 20 4.475 -5.859 8.668 803 3HD1 LEU 20 HD13 LEU 20 3.696 -7.281 9.361 804 1HD2 LEU 20 HD21 LEU 20 2.819 -5.985 6.782 805 2HD2 LEU 20 HD22 LEU 20 1.095 -5.843 7.125 806 3HD2 LEU 20 HD23 LEU 20 1.953 -7.330 7.524 807 H ASP 21 HN ASP 21 -0.917 -4.518 11.671 808 HA ASP 21 HA ASP 21 -2.197 -6.674 12.924 809 1HB ASP 21 HB2 ASP 21 -1.592 -4.731 14.211 810 2HB ASP 21 HB1 ASP 21 -2.633 -3.705 13.232 811 H VAL 22 HN VAL 22 -3.525 -4.014 10.992 812 HA VAL 22 HA VAL 22 -6.207 -4.736 11.042 813 HB VAL 22 HB VAL 22 -4.706 -3.543 8.702 814 1HG1 VAL 22 HG11 VAL 22 -6.867 -2.643 8.019 815 2HG1 VAL 22 HG12 VAL 22 -7.646 -3.452 9.378 816 3HG1 VAL 22 HG13 VAL 22 -6.913 -4.405 8.089 817 1HG2 VAL 22 HG21 VAL 22 -4.380 -2.237 10.724 818 2HG2 VAL 22 HG22 VAL 22 -6.120 -2.202 11.004 819 3HG2 VAL 22 HG23 VAL 22 -5.436 -1.379 9.601 820 H LEU 23 HN LEU 23 -3.610 -5.846 8.941 821 HA LEU 23 HA LEU 23 -5.270 -7.404 7.249 822 1HB LEU 23 HB2 LEU 23 -2.306 -7.657 7.748 823 2HB LEU 23 HB1 LEU 23 -3.186 -8.323 6.385 824 HG LEU 23 HG LEU 23 -2.830 -5.383 6.977 825 1HD1 LEU 23 HD11 LEU 23 -1.595 -7.144 4.869 826 2HD1 LEU 23 HD12 LEU 23 -0.765 -6.416 6.243 827 3HD1 LEU 23 HD13 LEU 23 -1.424 -5.392 4.967 828 1HD2 LEU 23 HD21 LEU 23 -4.096 -6.738 4.600 829 2HD2 LEU 23 HD22 LEU 23 -3.867 -5.003 4.819 830 3HD2 LEU 23 HD23 LEU 23 -4.968 -5.888 5.876 831 H VAL 24 HN VAL 24 -3.428 -8.140 10.185 832 HA VAL 24 HA VAL 24 -3.878 -10.975 9.868 833 HB VAL 24 HB VAL 24 -1.763 -10.122 10.829 834 1HG1 VAL 24 HG11 VAL 24 -3.448 -9.418 13.225 835 2HG1 VAL 24 HG12 VAL 24 -2.627 -8.283 12.155 836 3HG1 VAL 24 HG13 VAL 24 -1.685 -9.387 13.156 837 1HG2 VAL 24 HG21 VAL 24 -2.441 -12.420 11.216 838 2HG2 VAL 24 HG22 VAL 24 -3.350 -11.928 12.645 839 3HG2 VAL 24 HG23 VAL 24 -1.593 -11.779 12.623 840 H LYS 25 HN LYS 25 -5.294 -8.361 11.809 841 HA LYS 25 HA LYS 25 -6.799 -10.155 13.455 842 1HB LYS 25 HB2 LYS 25 -8.049 -8.213 14.201 843 2HB LYS 25 HB1 LYS 25 -6.332 -7.857 14.177 844 1HG LYS 25 HG2 LYS 25 -6.685 -6.719 11.976 845 2HG LYS 25 HG1 LYS 25 -8.423 -6.925 12.226 846 1HD LYS 25 HD2 LYS 25 -8.300 -5.645 14.289 847 2HD LYS 25 HD1 LYS 25 -6.550 -5.501 14.116 848 1HE LYS 25 HE2 LYS 25 -6.977 -4.323 11.929 849 2HE LYS 25 HE1 LYS 25 -8.685 -4.289 12.371 850 1HZ LYS 25 HZ1 LYS 25 -6.452 -3.062 13.897 851 2HZ LYS 25 HZ2 LYS 25 -8.075 -3.073 14.393 852 3HZ LYS 25 HZ3 LYS 25 -7.624 -2.232 12.993 853 H GLU 26 HN GLU 26 -7.259 -8.834 10.297 854 HA GLU 26 HA GLU 26 -10.008 -9.764 10.137 855 1HB GLU 26 HB2 GLU 26 -8.137 -8.516 8.123 856 2HB GLU 26 HB1 GLU 26 -9.742 -9.088 7.704 857 1HG GLU 26 HG2 GLU 26 -9.262 -7.034 9.837 858 2HG GLU 26 HG1 GLU 26 -9.486 -6.619 8.140 859 H GLU 27 HN GLU 27 -6.812 -10.877 9.497 860 HA GLU 27 HA GLU 27 -5.918 -12.742 8.571 861 1HB GLU 27 HB2 GLU 27 -8.695 -13.843 9.039 862 2HB GLU 27 HB1 GLU 27 -7.312 -14.812 8.549 863 1HG GLU 27 HG2 GLU 27 -6.152 -14.164 10.613 864 2HG GLU 27 HG1 GLU 27 -7.581 -13.258 11.109 865 H VAL 28 HN VAL 28 -6.352 -10.934 6.777 866 HA VAL 28 HA VAL 28 -8.031 -11.875 4.617 867 HB VAL 28 HB VAL 28 -7.280 -9.895 3.407 868 1HG1 VAL 28 HG11 VAL 28 -9.130 -9.652 4.949 869 2HG1 VAL 28 HG12 VAL 28 -8.154 -8.185 4.937 870 3HG1 VAL 28 HG13 VAL 28 -8.013 -9.326 6.274 871 1HG2 VAL 28 HG21 VAL 28 -5.472 -9.420 5.777 872 2HG2 VAL 28 HG22 VAL 28 -5.756 -8.277 4.464 873 3HG2 VAL 28 HG23 VAL 28 -4.963 -9.817 4.135 874 H THR 29 HN THR 29 -7.208 -12.220 2.457 875 HA THR 29 HA THR 29 -4.753 -13.748 2.447 876 HB THR 29 HB THR 29 -5.369 -14.168 0.039 877 HG1 THR 29 HG1 THR 29 -7.874 -13.535 -0.026 878 1HG2 THR 29 HG21 THR 29 -7.246 -15.641 0.556 879 2HG2 THR 29 HG22 THR 29 -7.509 -14.789 2.077 880 3HG2 THR 29 HG23 THR 29 -6.027 -15.711 1.830 881 HA PRO 30 HA PRO 30 -1.930 -10.736 0.878 882 1HB PRO 30 HB2 PRO 30 -1.013 -12.053 -1.422 883 2HB PRO 30 HB1 PRO 30 -0.329 -12.186 0.199 884 1HG PRO 30 HG2 PRO 30 -2.224 -13.993 -1.219 885 2HG PRO 30 HG1 PRO 30 -0.922 -14.393 -0.084 886 1HD PRO 30 HD2 PRO 30 -3.490 -14.460 0.665 887 2HD PRO 30 HD1 PRO 30 -2.222 -13.896 1.774 888 H ASP 31 HN ASP 31 -3.963 -12.253 -1.591 889 HA ASP 31 HA ASP 31 -3.751 -10.219 -3.528 890 1HB ASP 31 HB2 ASP 31 -4.532 -12.453 -4.093 891 2HB ASP 31 HB1 ASP 31 -5.938 -12.256 -3.054 892 H LEU 32 HN LEU 32 -6.161 -10.826 -0.999 893 HA LEU 32 HA LEU 32 -7.785 -8.582 -1.575 894 1HB LEU 32 HB2 LEU 32 -8.634 -10.436 -0.280 895 2HB LEU 32 HB1 LEU 32 -7.410 -10.188 0.949 896 HG LEU 32 HG LEU 32 -8.442 -8.049 1.563 897 1HD1 LEU 32 HD11 LEU 32 -9.378 -7.418 -0.581 898 2HD1 LEU 32 HD12 LEU 32 -10.633 -7.440 0.658 899 3HD1 LEU 32 HD13 LEU 32 -10.515 -8.764 -0.502 900 1HD2 LEU 32 HD21 LEU 32 -10.520 -8.963 2.532 901 2HD2 LEU 32 HD22 LEU 32 -9.129 -10.023 2.761 902 3HD2 LEU 32 HD23 LEU 32 -10.329 -10.400 1.524 903 H ALA 33 HN ALA 33 -5.143 -9.129 0.717 904 HA ALA 33 HA ALA 33 -5.194 -6.715 2.083 905 1HB ALA 33 HB1 ALA 33 -3.806 -8.639 2.730 906 2HB ALA 33 HB2 ALA 33 -2.875 -7.142 2.658 907 3HB ALA 33 HB3 ALA 33 -2.747 -8.324 1.357 908 H LEU 34 HN LEU 34 -3.319 -7.549 -0.831 909 HA LEU 34 HA LEU 34 -2.099 -5.042 -1.140 910 1HB LEU 34 HB2 LEU 34 -2.771 -7.123 -3.219 911 2HB LEU 34 HB1 LEU 34 -1.709 -5.755 -3.488 912 HG LEU 34 HG LEU 34 -1.223 -7.990 -1.520 913 1HD1 LEU 34 HD11 LEU 34 0.084 -7.370 -4.165 914 2HD1 LEU 34 HD12 LEU 34 -1.003 -8.719 -3.836 915 3HD1 LEU 34 HD13 LEU 34 0.571 -8.641 -3.043 916 1HD2 LEU 34 HD21 LEU 34 0.496 -5.648 -2.321 917 2HD2 LEU 34 HD22 LEU 34 0.994 -6.981 -1.278 918 3HD2 LEU 34 HD23 LEU 34 -0.285 -5.884 -0.758 919 H MET 35 HN MET 35 -5.131 -6.322 -2.433 920 HA MET 35 HA MET 35 -5.675 -4.179 -4.176 921 1HB MET 35 HB2 MET 35 -6.801 -6.368 -4.295 922 2HB MET 35 HB1 MET 35 -7.630 -6.017 -2.784 923 1HG MET 35 HG2 MET 35 -8.850 -4.222 -3.796 924 2HG MET 35 HG1 MET 35 -7.916 -4.365 -5.283 925 1HE MET 35 HE1 MET 35 -10.822 -7.639 -3.811 926 2HE MET 35 HE2 MET 35 -10.493 -6.157 -2.913 927 3HE MET 35 HE3 MET 35 -9.225 -7.365 -3.114 928 H CYS 36 HN CYS 36 -6.559 -4.724 -0.781 929 HA CYS 36 HA CYS 36 -8.065 -2.315 -0.555 930 1HB CYS 36 HB2 CYS 36 -6.814 -4.096 1.541 931 2HB CYS 36 HB1 CYS 36 -7.870 -2.735 1.907 932 HG CYS 36 HG CYS 36 -10.160 -3.848 1.266 933 H LEU 37 HN LEU 37 -4.717 -3.211 0.226 934 HA LEU 37 HA LEU 37 -3.903 -0.809 1.397 935 1HB LEU 37 HB2 LEU 37 -2.369 -2.805 -0.267 936 2HB LEU 37 HB1 LEU 37 -1.607 -1.449 0.542 937 HG LEU 37 HG LEU 37 -3.143 -3.631 1.958 938 1HD1 LEU 37 HD11 LEU 37 -1.123 -4.508 0.904 939 2HD1 LEU 37 HD12 LEU 37 -0.958 -4.457 2.658 940 3HD1 LEU 37 HD13 LEU 37 -0.169 -3.234 1.664 941 1HD2 LEU 37 HD21 LEU 37 -3.110 -1.511 3.168 942 2HD2 LEU 37 HD22 LEU 37 -1.355 -1.433 2.998 943 3HD2 LEU 37 HD23 LEU 37 -2.091 -2.709 3.968 944 H GLY 38 HN GLY 38 -3.849 -1.810 -2.007 945 1HA GLY 38 HA2 GLY 38 -2.656 0.492 -3.063 946 2HA GLY 38 HA1 GLY 38 -3.711 -0.597 -3.949 947 H ASN 39 HN ASN 39 -6.102 -0.265 -2.637 948 HA ASN 39 HA ASN 39 -7.042 2.120 -3.823 949 1HB ASN 39 HB2 ASN 39 -8.262 0.004 -2.113 950 2HB ASN 39 HB1 ASN 39 -9.126 1.526 -2.297 951 1HD2 ASN 39 HD21 ASN 39 -8.014 -1.351 -3.894 952 2HD2 ASN 39 HD22 ASN 39 -8.932 -1.134 -5.353 953 H ALA 40 HN ALA 40 -5.986 1.364 -0.584 954 HA ALA 40 HA ALA 40 -6.963 3.736 0.647 955 1HB ALA 40 HB1 ALA 40 -5.434 3.206 2.461 956 2HB ALA 40 HB2 ALA 40 -4.609 2.025 1.446 957 3HB ALA 40 HB3 ALA 40 -6.282 1.751 1.933 958 H VAL 41 HN VAL 41 -3.878 2.811 -0.827 959 HA VAL 41 HA VAL 41 -2.465 5.184 -0.400 960 HB VAL 41 HB VAL 41 -2.263 3.309 -2.767 961 1HG1 VAL 41 HG11 VAL 41 -0.300 5.341 -1.713 962 2HG1 VAL 41 HG12 VAL 41 -1.183 5.432 -3.237 963 3HG1 VAL 41 HG13 VAL 41 0.025 4.172 -2.991 964 1HG2 VAL 41 HG21 VAL 41 -0.429 2.269 -1.530 965 2HG2 VAL 41 HG22 VAL 41 -1.949 2.159 -0.643 966 3HG2 VAL 41 HG23 VAL 41 -0.734 3.347 -0.169 967 H THR 42 HN THR 42 -4.535 4.213 -3.111 968 HA THR 42 HA THR 42 -4.264 6.390 -4.778 969 HB THR 42 HB THR 42 -6.831 4.888 -4.227 970 HG1 THR 42 HG1 THR 42 -5.243 4.191 -6.400 971 1HG2 THR 42 HG21 THR 42 -7.367 5.445 -6.564 972 2HG2 THR 42 HG22 THR 42 -5.887 6.399 -6.667 973 3HG2 THR 42 HG23 THR 42 -7.179 6.891 -5.573 974 H ASN 43 HN ASN 43 -6.380 6.057 -1.947 975 HA ASN 43 HA ASN 43 -7.756 8.514 -2.374 976 1HB ASN 43 HB2 ASN 43 -8.660 6.638 -1.004 977 2HB ASN 43 HB1 ASN 43 -7.438 6.986 0.216 978 1HD2 ASN 43 HD21 ASN 43 -8.928 7.483 1.795 979 2HD2 ASN 43 HD22 ASN 43 -9.899 8.918 1.761 980 H ILE 44 HN ILE 44 -4.922 7.571 -0.503 981 HA ILE 44 HA ILE 44 -4.597 10.028 0.869 982 HB ILE 44 HB ILE 44 -2.506 7.963 0.154 983 1HG1 ILE 44 HG12 ILE 44 -4.312 7.011 1.483 984 2HG1 ILE 44 HG11 ILE 44 -2.853 7.152 2.457 985 1HG2 ILE 44 HG21 ILE 44 -2.435 10.198 2.174 986 2HG2 ILE 44 HG22 ILE 44 -1.449 10.061 0.719 987 3HG2 ILE 44 HG23 ILE 44 -1.232 8.916 2.044 988 1HD1 ILE 44 HD11 ILE 44 -5.214 9.020 2.531 989 2HD1 ILE 44 HD12 ILE 44 -3.752 9.164 3.507 990 3HD1 ILE 44 HD13 ILE 44 -4.824 7.781 3.724 991 H ILE 45 HN ILE 45 -3.233 8.768 -2.156 992 HA ILE 45 HA ILE 45 -1.570 10.985 -2.707 993 HB ILE 45 HB ILE 45 -2.806 8.992 -4.618 994 1HG1 ILE 45 HG12 ILE 45 -0.085 9.063 -3.293 995 2HG1 ILE 45 HG11 ILE 45 -1.406 7.982 -2.865 996 1HG2 ILE 45 HG21 ILE 45 -2.065 11.001 -5.795 997 2HG2 ILE 45 HG22 ILE 45 -1.027 9.625 -6.170 998 3HG2 ILE 45 HG23 ILE 45 -0.476 10.862 -5.041 999 1HD1 ILE 45 HD11 ILE 45 0.232 6.828 -4.203 1000 2HD1 ILE 45 HD12 ILE 45 0.081 8.036 -5.481 1001 3HD1 ILE 45 HD13 ILE 45 -1.279 6.978 -5.099 1002 H ALA 46 HN ALA 46 -4.960 10.399 -3.201 1003 HA ALA 46 HA ALA 46 -5.394 12.492 -5.086 1004 1HB ALA 46 HB1 ALA 46 -7.769 12.137 -4.639 1005 2HB ALA 46 HB2 ALA 46 -7.361 11.120 -3.257 1006 3HB ALA 46 HB3 ALA 46 -6.933 10.604 -4.887 1007 H GLN 47 HN GLN 47 -4.751 12.494 -1.773 1008 HA GLN 47 HA GLN 47 -6.029 15.104 -1.368 1009 1HB GLN 47 HB2 GLN 47 -4.646 13.320 0.650 1010 2HB GLN 47 HB1 GLN 47 -5.570 14.776 1.004 1011 1HG GLN 47 HG2 GLN 47 -7.597 13.719 0.213 1012 2HG GLN 47 HG1 GLN 47 -6.693 12.277 -0.244 1013 1HE2 GLN 47 HE21 GLN 47 -7.832 10.917 1.069 1014 2HE2 GLN 47 HE22 GLN 47 -7.703 10.947 2.793 1015 H VAL 48 HN VAL 48 -3.200 13.818 -2.418 1016 HA VAL 48 HA VAL 48 -1.386 15.770 -1.267 1017 HB VAL 48 HB VAL 48 -0.931 13.716 -3.452 1018 1HG1 VAL 48 HG11 VAL 48 0.700 15.501 -3.581 1019 2HG1 VAL 48 HG12 VAL 48 1.458 14.029 -2.972 1020 3HG1 VAL 48 HG13 VAL 48 1.051 15.338 -1.861 1021 1HG2 VAL 48 HG21 VAL 48 -1.512 12.619 -1.389 1022 2HG2 VAL 48 HG22 VAL 48 -0.343 13.592 -0.498 1023 3HG2 VAL 48 HG23 VAL 48 0.215 12.418 -1.689 1024 HA PRO 49 HA PRO 49 -1.968 19.127 -4.175 1025 1HB PRO 49 HB2 PRO 49 1.025 18.900 -4.226 1026 2HB PRO 49 HB1 PRO 49 0.016 20.349 -4.126 1027 1HG PRO 49 HG2 PRO 49 1.168 19.349 -1.945 1028 2HG PRO 49 HG1 PRO 49 -0.476 20.013 -1.884 1029 1HD PRO 49 HD2 PRO 49 0.427 17.195 -1.750 1030 2HD PRO 49 HD1 PRO 49 -1.046 17.941 -1.102 1031 H GLU 50 HN GLU 50 -2.384 19.085 -6.313 1032 HA GLU 50 HA GLU 50 -1.998 16.697 -7.720 1033 1HB GLU 50 HB2 GLU 50 -3.887 18.313 -8.030 1034 2HB GLU 50 HB1 GLU 50 -2.783 19.336 -8.940 1035 1HG GLU 50 HG2 GLU 50 -2.429 17.524 -10.542 1036 2HG GLU 50 HG1 GLU 50 -3.543 16.507 -9.633 1037 H SER 51 HN SER 51 -0.069 19.604 -7.660 1038 HA SER 51 HA SER 51 1.247 19.296 -10.119 1039 1HB SER 51 HB2 SER 51 1.369 21.342 -8.710 1040 2HB SER 51 HB1 SER 51 2.391 20.467 -7.571 1041 HG SER 51 HG SER 51 3.028 21.633 -9.960 1042 H LYS 52 HN LYS 52 1.706 17.709 -7.031 1043 HA LYS 52 HA LYS 52 3.893 16.153 -8.246 1044 1HB LYS 52 HB2 LYS 52 4.583 15.584 -5.921 1045 2HB LYS 52 HB1 LYS 52 4.708 17.299 -6.289 1046 1HG LYS 52 HG2 LYS 52 2.913 17.854 -4.936 1047 2HG LYS 52 HG1 LYS 52 2.260 16.216 -4.957 1048 1HD LYS 52 HD2 LYS 52 3.236 16.759 -2.783 1049 2HD LYS 52 HD1 LYS 52 4.120 15.452 -3.571 1050 1HE LYS 52 HE2 LYS 52 5.876 16.974 -4.220 1051 2HE LYS 52 HE1 LYS 52 4.963 18.350 -3.600 1052 1HZ LYS 52 HZ1 LYS 52 5.147 17.440 -1.377 1053 2HZ LYS 52 HZ2 LYS 52 6.687 17.639 -2.054 1054 3HZ LYS 52 HZ3 LYS 52 5.997 16.093 -1.961 1055 H ARG 53 HN ARG 53 0.740 15.944 -7.920 1056 HA ARG 53 HA ARG 53 0.282 13.624 -6.367 1057 1HB ARG 53 HB2 ARG 53 -1.485 15.221 -6.831 1058 2HB ARG 53 HB1 ARG 53 -1.372 14.896 -8.554 1059 1HG ARG 53 HG2 ARG 53 -2.221 12.669 -8.237 1060 2HG ARG 53 HG1 ARG 53 -2.191 12.868 -6.484 1061 1HD ARG 53 HD2 ARG 53 -3.851 14.515 -8.389 1062 2HD ARG 53 HD1 ARG 53 -4.453 13.155 -7.441 1063 HE ARG 53 HE ARG 53 -3.410 14.745 -5.545 1064 1HH1 ARG 53 HH11 ARG 53 -5.592 15.441 -8.209 1065 2HH1 ARG 53 HH12 ARG 53 -6.385 16.737 -7.371 1066 1HH2 ARG 53 HH21 ARG 53 -4.457 16.440 -4.454 1067 2HH2 ARG 53 HH22 ARG 53 -5.762 17.288 -5.218 1068 H VAL 54 HN VAL 54 0.760 14.100 -9.850 1069 HA VAL 54 HA VAL 54 0.433 11.304 -10.444 1070 HB VAL 54 HB VAL 54 1.739 13.440 -12.144 1071 1HG1 VAL 54 HG11 VAL 54 0.509 10.795 -12.910 1072 2HG1 VAL 54 HG12 VAL 54 2.235 11.159 -12.864 1073 3HG1 VAL 54 HG13 VAL 54 1.189 11.983 -14.023 1074 1HG2 VAL 54 HG21 VAL 54 -1.149 12.568 -12.069 1075 2HG2 VAL 54 HG22 VAL 54 -0.442 13.676 -13.244 1076 3HG2 VAL 54 HG23 VAL 54 -0.514 14.127 -11.541 1077 H ALA 55 HN ALA 55 3.022 13.479 -9.655 1078 HA ALA 55 HA ALA 55 5.173 11.794 -10.407 1079 1HB ALA 55 HB1 ALA 55 6.580 13.329 -9.164 1080 2HB ALA 55 HB2 ALA 55 5.158 14.048 -8.408 1081 3HB ALA 55 HB3 ALA 55 5.413 14.220 -10.145 1082 H VAL 56 HN VAL 56 3.536 12.377 -7.290 1083 HA VAL 56 HA VAL 56 5.339 10.798 -5.791 1084 HB VAL 56 HB VAL 56 3.649 10.788 -3.993 1085 1HG1 VAL 56 HG11 VAL 56 4.080 13.475 -5.280 1086 2HG1 VAL 56 HG12 VAL 56 5.199 12.645 -4.198 1087 3HG1 VAL 56 HG13 VAL 56 3.636 13.194 -3.596 1088 1HG2 VAL 56 HG21 VAL 56 1.565 12.031 -4.254 1089 2HG2 VAL 56 HG22 VAL 56 1.627 10.646 -5.344 1090 3HG2 VAL 56 HG23 VAL 56 1.919 12.272 -5.964 1091 H VAL 57 HN VAL 57 2.374 9.960 -7.530 1092 HA VAL 57 HA VAL 57 2.255 7.341 -6.383 1093 HB VAL 57 HB VAL 57 0.211 8.327 -7.276 1094 1HG1 VAL 57 HG11 VAL 57 1.481 8.073 -9.996 1095 2HG1 VAL 57 HG12 VAL 57 1.177 9.585 -9.141 1096 3HG1 VAL 57 HG13 VAL 57 -0.176 8.578 -9.659 1097 1HG2 VAL 57 HG21 VAL 57 1.078 5.863 -8.776 1098 2HG2 VAL 57 HG22 VAL 57 -0.588 6.406 -8.576 1099 3HG2 VAL 57 HG23 VAL 57 0.354 5.913 -7.169 1100 H ASP 58 HN ASP 58 3.660 8.713 -9.328 1101 HA ASP 58 HA ASP 58 4.423 6.218 -10.451 1102 1HB ASP 58 HB2 ASP 58 4.319 8.395 -11.708 1103 2HB ASP 58 HB1 ASP 58 5.795 8.871 -10.874 1104 H ASN 59 HN ASN 59 6.163 8.602 -8.461 1105 HA ASN 59 HA ASN 59 8.543 7.072 -8.282 1106 1HB ASN 59 HB2 ASN 59 7.441 9.343 -6.645 1107 2HB ASN 59 HB1 ASN 59 8.929 8.527 -6.180 1108 1HD2 ASN 59 HD21 ASN 59 7.397 10.577 -8.529 1109 2HD2 ASN 59 HD22 ASN 59 8.849 11.091 -9.330 1110 H PHE 60 HN PHE 60 5.560 7.080 -6.451 1111 HA PHE 60 HA PHE 60 6.355 5.420 -4.321 1112 1HB PHE 60 HB2 PHE 60 4.164 6.630 -4.466 1113 2HB PHE 60 HB1 PHE 60 3.661 5.479 -5.701 1114 HD1 PHE 60 HD2 PHE 60 4.954 5.547 -2.204 1115 HD2 PHE 60 HD1 PHE 60 2.458 3.631 -5.071 1116 HE1 PHE 60 HE2 PHE 60 4.116 4.030 -0.457 1117 HE2 PHE 60 HE1 PHE 60 1.616 2.115 -3.328 1118 HZ PHE 60 HZ PHE 60 2.446 2.310 -1.019 1119 H THR 61 HN THR 61 4.859 4.661 -7.444 1120 HA THR 61 HA THR 61 4.992 1.865 -7.137 1121 HB THR 61 HB THR 61 4.576 1.783 -9.583 1122 HG1 THR 61 HG1 THR 61 5.372 4.427 -9.390 1123 1HG2 THR 61 HG21 THR 61 2.898 3.668 -7.925 1124 2HG2 THR 61 HG22 THR 61 2.690 1.922 -8.116 1125 3HG2 THR 61 HG23 THR 61 2.390 3.002 -9.479 1126 H LYS 62 HN LYS 62 7.213 4.227 -8.547 1127 HA LYS 62 HA LYS 62 9.170 2.500 -9.537 1128 1HB LYS 62 HB2 LYS 62 9.302 4.883 -9.920 1129 2HB LYS 62 HB1 LYS 62 9.415 5.200 -8.195 1130 1HG LYS 62 HG2 LYS 62 11.585 3.888 -8.242 1131 2HG LYS 62 HG1 LYS 62 11.484 3.990 -10.002 1132 1HD LYS 62 HD2 LYS 62 11.470 6.404 -9.899 1133 2HD LYS 62 HD1 LYS 62 11.437 6.358 -8.136 1134 1HE LYS 62 HE2 LYS 62 13.671 6.825 -8.798 1135 2HE LYS 62 HE1 LYS 62 13.632 5.165 -8.211 1136 1HZ LYS 62 HZ1 LYS 62 14.924 5.402 -10.250 1137 2HZ LYS 62 HZ2 LYS 62 13.555 5.981 -11.066 1138 3HZ LYS 62 HZ3 LYS 62 13.586 4.385 -10.487 1139 H ALA 63 HN ALA 63 8.957 3.992 -6.302 1140 HA ALA 63 HA ALA 63 11.167 2.715 -5.171 1141 1HB ALA 63 HB1 ALA 63 10.064 4.650 -4.159 1142 2HB ALA 63 HB2 ALA 63 10.220 3.322 -3.010 1143 3HB ALA 63 HB3 ALA 63 8.663 3.651 -3.771 1144 H LEU 64 HN LEU 64 7.763 1.729 -5.246 1145 HA LEU 64 HA LEU 64 7.874 -0.536 -3.660 1146 1HB LEU 64 HB2 LEU 64 6.219 0.262 -6.007 1147 2HB LEU 64 HB1 LEU 64 6.117 -1.393 -5.442 1148 HG LEU 64 HG LEU 64 5.602 1.010 -3.689 1149 1HD1 LEU 64 HD11 LEU 64 3.949 0.901 -5.471 1150 2HD1 LEU 64 HD12 LEU 64 3.234 0.441 -3.925 1151 3HD1 LEU 64 HD13 LEU 64 3.652 -0.799 -5.109 1152 1HD2 LEU 64 HD21 LEU 64 4.598 -0.642 -2.193 1153 2HD2 LEU 64 HD22 LEU 64 6.302 -0.994 -2.488 1154 3HD2 LEU 64 HD23 LEU 64 5.052 -1.932 -3.310 1155 H LYS 65 HN LYS 65 8.176 -0.499 -7.217 1156 HA LYS 65 HA LYS 65 8.787 -3.241 -7.368 1157 1HB LYS 65 HB2 LYS 65 9.109 -0.979 -9.322 1158 2HB LYS 65 HB1 LYS 65 9.588 -2.626 -9.719 1159 1HG LYS 65 HG2 LYS 65 7.303 -3.390 -9.264 1160 2HG LYS 65 HG1 LYS 65 6.830 -1.728 -8.909 1161 1HD LYS 65 HD2 LYS 65 8.037 -2.535 -11.540 1162 2HD LYS 65 HD1 LYS 65 6.301 -2.610 -11.235 1163 1HE LYS 65 HE2 LYS 65 6.337 -0.206 -10.668 1164 2HE LYS 65 HE1 LYS 65 8.051 -0.159 -11.083 1165 1HZ LYS 65 HZ1 LYS 65 6.470 0.572 -12.870 1166 2HZ LYS 65 HZ2 LYS 65 5.963 -1.046 -12.993 1167 3HZ LYS 65 HZ3 LYS 65 7.573 -0.634 -13.326 1168 H GLN 66 HN GLN 66 10.844 -0.436 -6.954 1169 HA GLN 66 HA GLN 66 13.290 -1.809 -7.481 1170 1HB GLN 66 HB2 GLN 66 12.702 0.732 -5.954 1171 2HB GLN 66 HB1 GLN 66 14.328 0.130 -6.245 1172 1HG GLN 66 HG2 GLN 66 12.334 0.897 -8.365 1173 2HG GLN 66 HG1 GLN 66 13.700 1.874 -7.830 1174 1HE2 GLN 66 HE21 GLN 66 12.695 -0.905 -9.632 1175 2HE2 GLN 66 HE22 GLN 66 14.207 -1.207 -10.420 1176 H SER 67 HN SER 67 11.456 -1.063 -4.543 1177 HA SER 67 HA SER 67 13.407 -2.180 -2.792 1178 1HB SER 67 HB2 SER 67 11.646 -0.424 -2.207 1179 2HB SER 67 HB1 SER 67 10.488 -1.750 -2.145 1180 HG SER 67 HG SER 67 12.833 -2.126 -0.704 1181 H VAL 68 HN VAL 68 10.468 -3.390 -4.327 1182 HA VAL 68 HA VAL 68 10.322 -5.826 -2.890 1183 HB VAL 68 HB VAL 68 9.218 -5.079 -5.603 1184 1HG1 VAL 68 HG11 VAL 68 8.662 -7.539 -3.945 1185 2HG1 VAL 68 HG12 VAL 68 9.479 -7.494 -5.508 1186 3HG1 VAL 68 HG13 VAL 68 7.775 -7.057 -5.391 1187 1HG2 VAL 68 HG21 VAL 68 8.286 -3.827 -3.734 1188 2HG2 VAL 68 HG22 VAL 68 7.917 -5.333 -2.895 1189 3HG2 VAL 68 HG23 VAL 68 7.091 -4.938 -4.404 1190 H LEU 69 HN LEU 69 11.852 -4.975 -5.980 1191 HA LEU 69 HA LEU 69 12.696 -7.585 -6.652 1192 1HB LEU 69 HB2 LEU 69 12.584 -5.597 -8.184 1193 2HB LEU 69 HB1 LEU 69 14.014 -4.967 -7.394 1194 HG LEU 69 HG LEU 69 14.120 -7.679 -8.663 1195 1HD1 LEU 69 HD11 LEU 69 14.795 -6.642 -10.775 1196 2HD1 LEU 69 HD12 LEU 69 14.420 -5.050 -10.114 1197 3HD1 LEU 69 HD13 LEU 69 13.130 -6.227 -10.362 1198 1HD2 LEU 69 HD21 LEU 69 16.454 -7.078 -8.991 1199 2HD2 LEU 69 HD22 LEU 69 16.006 -6.875 -7.297 1200 3HD2 LEU 69 HD23 LEU 69 16.147 -5.464 -8.347 1201 H GLU 70 HN GLU 70 14.129 -5.004 -4.766 1202 HA GLU 70 HA GLU 70 16.583 -6.436 -4.273 1203 1HB GLU 70 HB2 GLU 70 16.509 -3.974 -4.450 1204 2HB GLU 70 HB1 GLU 70 15.473 -3.909 -3.035 1205 1HG GLU 70 HG2 GLU 70 17.317 -4.937 -1.718 1206 2HG GLU 70 HG1 GLU 70 18.343 -4.794 -3.144 1207 H HIS 71 HN HIS 71 13.532 -6.892 -3.145 1208 HA HIS 71 HA HIS 71 14.132 -6.916 -0.321 1209 1HB HIS 71 HB2 HIS 71 11.897 -6.209 -1.362 1210 2HB HIS 71 HB1 HIS 71 11.574 -7.932 -1.534 1211 HD1 HIS 71 HD1 HIS 71 9.579 -7.606 0.162 1212 HD2 HIS 71 HD2 HIS 71 13.357 -6.881 1.730 1213 HE1 HIS 71 HE1 HIS 71 9.283 -7.581 2.656 1214 HE2 HIS 71 HE2 HIS 71 11.619 -7.368 3.581 1215 H HIS 72 HN HIS 72 15.873 -8.552 -0.910 1216 HA HIS 72 HA HIS 72 14.748 -11.203 -0.274 1217 1HB HIS 72 HB2 HIS 72 17.481 -10.431 -1.343 1218 2HB HIS 72 HB1 HIS 72 17.094 -12.040 -0.750 1219 HD1 HIS 72 HD1 HIS 72 17.321 -10.225 -3.806 1220 HD2 HIS 72 HD2 HIS 72 14.733 -13.129 -2.314 1221 HE1 HIS 72 HE1 HIS 72 16.208 -11.246 -5.818 1222 HE2 HIS 72 HE2 HIS 72 14.789 -13.124 -4.909 1223 H HIS 73 HN HIS 73 14.636 -11.485 1.873 1224 HA HIS 73 HA HIS 73 15.567 -9.545 3.635 1225 1HB HIS 73 HB2 HIS 73 14.865 -11.011 5.473 1226 2HB HIS 73 HB1 HIS 73 13.647 -10.904 4.210 1227 HD1 HIS 73 HD1 HIS 73 15.724 -13.311 6.091 1228 HD2 HIS 73 HD2 HIS 73 13.349 -13.295 2.675 1229 HE1 HIS 73 HE1 HIS 73 15.261 -15.726 5.570 1230 HE2 HIS 73 HE2 HIS 73 13.625 -15.667 3.653 1231 H HIS 74 HN HIS 74 17.443 -9.063 4.302 1232 HA HIS 74 HA HIS 74 19.567 -9.117 5.068 1233 1HB HIS 74 HB2 HIS 74 18.275 -10.897 6.578 1234 2HB HIS 74 HB1 HIS 74 19.422 -11.991 5.811 1235 HD1 HIS 74 HD1 HIS 74 19.072 -10.044 8.733 1236 HD2 HIS 74 HD2 HIS 74 22.225 -10.786 6.118 1237 HE1 HIS 74 HE1 HIS 74 21.164 -9.459 10.002 1238 HE2 HIS 74 HE2 HIS 74 23.039 -9.757 8.352 1239 H HIS 75 HN HIS 75 18.901 -10.149 2.282 1240 HA HIS 75 HA HIS 75 21.595 -11.178 1.783 1241 1HB HIS 75 HB2 HIS 75 19.816 -13.052 1.889 1242 2HB HIS 75 HB1 HIS 75 19.242 -12.400 0.358 1243 HD1 HIS 75 HD1 HIS 75 21.540 -14.823 1.694 1244 HD2 HIS 75 HD2 HIS 75 21.448 -12.365 -1.663 1245 HE1 HIS 75 HE1 HIS 75 23.201 -15.808 0.086 1246 HE2 HIS 75 HE2 HIS 75 23.051 -14.372 -1.982 1247 H HIS 76 HN HIS 76 22.079 -9.115 0.991 1248 HA HIS 76 HA HIS 76 20.725 -8.378 -1.519 1249 1HB HIS 76 HB2 HIS 76 20.448 -6.675 0.214 1250 2HB HIS 76 HB1 HIS 76 22.189 -6.610 0.456 1251 HD1 HIS 76 HD1 HIS 76 22.992 -4.449 -0.452 1252 HD2 HIS 76 HD2 HIS 76 20.084 -6.171 -2.882 1253 HE1 HIS 76 HE1 HIS 76 22.759 -2.912 -2.431 1254 HE2 HIS 76 HE2 HIS 76 20.879 -3.883 -3.799 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -15.659 -26.348 3.587 2 2H MET 1 HT2 MET 1 -17.051 -25.519 3.094 3 3H MET 1 HT3 MET 1 -16.349 -25.171 4.597 4 HA MET 1 HA MET 1 -14.379 -24.315 3.528 5 1HB MET 1 HB2 MET 1 -14.290 -24.043 1.117 6 2HB MET 1 HB1 MET 1 -14.553 -25.741 1.490 7 1HG MET 1 HG2 MET 1 -16.885 -25.550 0.948 8 2HG MET 1 HG1 MET 1 -16.729 -23.810 0.729 9 1HE MET 1 HE1 MET 1 -18.106 -25.673 -1.397 10 2HE MET 1 HE2 MET 1 -17.414 -25.050 -2.897 11 3HE MET 1 HE3 MET 1 -17.896 -23.936 -1.617 12 HA PRO 2 HA PRO 2 -16.763 -20.491 3.386 13 1HB PRO 2 HB2 PRO 2 -14.720 -18.755 3.309 14 2HB PRO 2 HB1 PRO 2 -15.096 -19.659 4.781 15 1HG PRO 2 HG2 PRO 2 -12.939 -20.121 2.772 16 2HG PRO 2 HG1 PRO 2 -12.889 -20.306 4.533 17 1HD PRO 2 HD2 PRO 2 -13.221 -22.382 2.709 18 2HD PRO 2 HD1 PRO 2 -13.643 -22.454 4.430 19 H ILE 3 HN ILE 3 -16.262 -18.319 1.905 20 HA ILE 3 HA ILE 3 -16.312 -19.295 -0.815 21 HB ILE 3 HB ILE 3 -16.659 -16.883 -1.425 22 1HG1 ILE 3 HG12 ILE 3 -16.870 -16.510 1.572 23 2HG1 ILE 3 HG11 ILE 3 -15.542 -15.919 0.579 24 1HG2 ILE 3 HG21 ILE 3 -18.961 -16.812 -0.584 25 2HG2 ILE 3 HG22 ILE 3 -18.571 -18.088 0.570 26 3HG2 ILE 3 HG23 ILE 3 -18.520 -18.418 -1.161 27 1HD1 ILE 3 HD11 ILE 3 -17.085 -14.476 -0.634 28 2HD1 ILE 3 HD12 ILE 3 -17.129 -14.154 1.099 29 3HD1 ILE 3 HD13 ILE 3 -18.424 -15.081 0.341 30 H VAL 4 HN VAL 4 -14.552 -19.567 -1.997 31 HA VAL 4 HA VAL 4 -12.060 -18.367 -1.123 32 HB VAL 4 HB VAL 4 -11.030 -19.723 -2.979 33 1HG1 VAL 4 HG11 VAL 4 -11.073 -20.492 -0.664 34 2HG1 VAL 4 HG12 VAL 4 -11.259 -21.845 -1.779 35 3HG1 VAL 4 HG13 VAL 4 -12.664 -21.208 -0.921 36 1HG2 VAL 4 HG21 VAL 4 -12.976 -19.956 -4.424 37 2HG2 VAL 4 HG22 VAL 4 -13.819 -20.864 -3.169 38 3HG2 VAL 4 HG23 VAL 4 -12.381 -21.543 -3.931 39 H SER 5 HN SER 5 -11.563 -16.424 -1.716 40 HA SER 5 HA SER 5 -11.140 -14.576 -2.945 41 1HB SER 5 HB2 SER 5 -11.593 -16.366 -5.346 42 2HB SER 5 HB1 SER 5 -10.834 -14.771 -5.369 43 HG SER 5 HG SER 5 -9.695 -16.413 -3.528 44 H LYS 6 HN LYS 6 -12.194 -13.195 -4.880 45 HA LYS 6 HA LYS 6 -13.937 -11.791 -5.275 46 1HB LYS 6 HB2 LYS 6 -14.674 -13.820 -6.567 47 2HB LYS 6 HB1 LYS 6 -15.633 -14.291 -5.170 48 1HG LYS 6 HG2 LYS 6 -16.905 -12.191 -5.363 49 2HG LYS 6 HG1 LYS 6 -15.975 -11.784 -6.805 50 1HD LYS 6 HD2 LYS 6 -17.884 -12.716 -7.714 51 2HD LYS 6 HD1 LYS 6 -16.790 -14.097 -7.669 52 1HE LYS 6 HE2 LYS 6 -18.916 -13.464 -5.622 53 2HE LYS 6 HE1 LYS 6 -19.042 -14.680 -6.888 54 1HZ LYS 6 HZ1 LYS 6 -17.095 -14.690 -4.649 55 2HZ LYS 6 HZ2 LYS 6 -17.162 -15.848 -5.879 56 3HZ LYS 6 HZ3 LYS 6 -18.455 -15.688 -4.791 57 H TYR 7 HN TYR 7 -13.627 -10.856 -3.224 58 HA TYR 7 HA TYR 7 -15.049 -11.979 -0.942 59 1HB TYR 7 HB2 TYR 7 -13.249 -9.554 -0.963 60 2HB TYR 7 HB1 TYR 7 -13.646 -10.601 0.398 61 HD1 TYR 7 HD1 TYR 7 -12.560 -12.788 0.648 62 HD2 TYR 7 HD2 TYR 7 -11.599 -10.213 -2.603 63 HE1 TYR 7 HE1 TYR 7 -10.586 -14.163 0.141 64 HE2 TYR 7 HE2 TYR 7 -9.625 -11.573 -3.110 65 HH TYR 7 HH TYR 7 -8.179 -13.178 -2.178 66 H SER 8 HN SER 8 -16.346 -10.621 0.450 67 HA SER 8 HA SER 8 -18.268 -9.150 -1.015 68 1HB SER 8 HB2 SER 8 -17.920 -9.110 1.988 69 2HB SER 8 HB1 SER 8 -19.407 -8.891 1.063 70 HG SER 8 HG SER 8 -18.041 -11.222 1.733 71 H ASN 9 HN ASN 9 -18.525 -6.986 -1.307 72 HA ASN 9 HA ASN 9 -16.221 -5.396 -1.289 73 1HB ASN 9 HB2 ASN 9 -17.575 -3.616 -2.118 74 2HB ASN 9 HB1 ASN 9 -18.231 -5.106 -2.782 75 1HD2 ASN 9 HD21 ASN 9 -18.771 -2.408 -0.703 76 2HD2 ASN 9 HD22 ASN 9 -20.453 -2.728 -0.388 77 H GLU 10 HN GLU 10 -18.801 -5.697 1.069 78 HA GLU 10 HA GLU 10 -18.266 -3.428 2.614 79 1HB GLU 10 HB2 GLU 10 -19.197 -6.130 3.593 80 2HB GLU 10 HB1 GLU 10 -19.367 -4.605 4.449 81 1HG GLU 10 HG2 GLU 10 -20.816 -3.787 2.628 82 2HG GLU 10 HG1 GLU 10 -20.700 -5.373 1.865 83 H ARG 11 HN ARG 11 -16.941 -6.702 2.785 84 HA ARG 11 HA ARG 11 -15.267 -6.242 5.022 85 1HB ARG 11 HB2 ARG 11 -15.918 -8.493 4.424 86 2HB ARG 11 HB1 ARG 11 -15.172 -8.332 2.842 87 1HG ARG 11 HG2 ARG 11 -12.977 -8.285 3.809 88 2HG ARG 11 HG1 ARG 11 -13.656 -8.260 5.441 89 1HD ARG 11 HD2 ARG 11 -14.621 -10.463 5.102 90 2HD ARG 11 HD1 ARG 11 -14.035 -10.482 3.438 91 HE ARG 11 HE ARG 11 -11.747 -10.437 4.436 92 1HH1 ARG 11 HH11 ARG 11 -14.466 -11.621 6.304 93 2HH1 ARG 11 HH12 ARG 11 -13.490 -12.683 7.288 94 1HH2 ARG 11 HH21 ARG 11 -10.470 -11.883 5.691 95 2HH2 ARG 11 HH22 ARG 11 -11.237 -12.848 6.916 96 H VAL 12 HN VAL 12 -14.731 -6.147 1.525 97 HA VAL 12 HA VAL 12 -11.978 -5.664 1.534 98 HB VAL 12 HB VAL 12 -14.044 -4.656 -0.437 99 1HG1 VAL 12 HG11 VAL 12 -11.954 -3.405 -0.622 100 2HG1 VAL 12 HG12 VAL 12 -12.185 -4.460 -2.016 101 3HG1 VAL 12 HG13 VAL 12 -11.052 -4.916 -0.744 102 1HG2 VAL 12 HG21 VAL 12 -12.308 -7.125 -0.486 103 2HG2 VAL 12 HG22 VAL 12 -13.399 -6.605 -1.769 104 3HG2 VAL 12 HG23 VAL 12 -14.047 -7.085 -0.201 105 H GLU 13 HN GLU 13 -14.682 -3.349 1.510 106 HA GLU 13 HA GLU 13 -12.997 -1.059 1.687 107 1HB GLU 13 HB2 GLU 13 -15.958 -1.420 2.169 108 2HB GLU 13 HB1 GLU 13 -15.148 0.141 2.178 109 1HG GLU 13 HG2 GLU 13 -14.522 -0.119 -0.133 110 2HG GLU 13 HG1 GLU 13 -15.182 -1.752 -0.160 111 H LYS 14 HN LYS 14 -14.418 -3.210 4.014 112 HA LYS 14 HA LYS 14 -14.203 -1.632 6.331 113 1HB LYS 14 HB2 LYS 14 -15.408 -3.741 6.340 114 2HB LYS 14 HB1 LYS 14 -13.940 -4.621 5.948 115 1HG LYS 14 HG2 LYS 14 -12.993 -3.974 8.123 116 2HG LYS 14 HG1 LYS 14 -14.507 -3.155 8.518 117 1HD LYS 14 HD2 LYS 14 -15.706 -5.287 8.279 118 2HD LYS 14 HD1 LYS 14 -14.179 -6.095 7.915 119 1HE LYS 14 HE2 LYS 14 -13.328 -5.569 10.109 120 2HE LYS 14 HE1 LYS 14 -14.767 -4.623 10.482 121 1HZ LYS 14 HZ1 LYS 14 -14.902 -6.796 11.489 122 2HZ LYS 14 HZ2 LYS 14 -14.675 -7.554 9.990 123 3HZ LYS 14 HZ3 LYS 14 -16.088 -6.659 10.282 124 H ILE 15 HN ILE 15 -11.942 -3.936 4.877 125 HA ILE 15 HA ILE 15 -9.829 -3.551 6.683 126 HB ILE 15 HB ILE 15 -9.621 -4.308 3.760 127 1HG1 ILE 15 HG12 ILE 15 -9.918 -6.120 6.162 128 2HG1 ILE 15 HG11 ILE 15 -11.241 -5.690 5.085 129 1HG2 ILE 15 HG21 ILE 15 -7.786 -4.840 6.097 130 2HG2 ILE 15 HG22 ILE 15 -7.469 -3.753 4.744 131 3HG2 ILE 15 HG23 ILE 15 -7.586 -5.491 4.471 132 1HD1 ILE 15 HD11 ILE 15 -10.059 -6.742 3.223 133 2HD1 ILE 15 HD12 ILE 15 -10.355 -7.873 4.544 134 3HD1 ILE 15 HD13 ILE 15 -8.747 -7.186 4.315 135 H ILE 16 HN ILE 16 -10.572 -1.996 3.576 136 HA ILE 16 HA ILE 16 -8.340 -0.329 3.387 137 HB ILE 16 HB ILE 16 -11.166 0.252 2.467 138 1HG1 ILE 16 HG12 ILE 16 -8.826 -0.917 0.948 139 2HG1 ILE 16 HG11 ILE 16 -10.175 -1.852 1.581 140 1HG2 ILE 16 HG21 ILE 16 -9.778 2.268 2.556 141 2HG2 ILE 16 HG22 ILE 16 -10.149 1.812 0.893 142 3HG2 ILE 16 HG23 ILE 16 -8.556 1.469 1.568 143 1HD1 ILE 16 HD11 ILE 16 -10.348 0.304 -0.511 144 2HD1 ILE 16 HD12 ILE 16 -11.705 -0.627 0.128 145 3HD1 ILE 16 HD13 ILE 16 -10.435 -1.436 -0.790 146 H GLN 17 HN GLN 17 -11.493 0.264 4.918 147 HA GLN 17 HA GLN 17 -10.937 2.919 5.698 148 1HB GLN 17 HB2 GLN 17 -13.222 2.085 5.546 149 2HB GLN 17 HB1 GLN 17 -12.912 0.938 6.841 150 1HG GLN 17 HG2 GLN 17 -14.184 2.867 7.617 151 2HG GLN 17 HG1 GLN 17 -12.622 2.752 8.423 152 1HE2 GLN 17 HE21 GLN 17 -12.629 4.932 8.968 153 2HE2 GLN 17 HE22 GLN 17 -12.377 6.180 7.797 154 H ASP 18 HN ASP 18 -10.467 -0.184 7.329 155 HA ASP 18 HA ASP 18 -9.822 0.924 9.861 156 1HB ASP 18 HB2 ASP 18 -10.439 -1.513 9.281 157 2HB ASP 18 HB1 ASP 18 -8.739 -1.703 8.862 158 H LEU 19 HN LEU 19 -7.905 0.068 7.032 159 HA LEU 19 HA LEU 19 -5.365 0.654 8.139 160 1HB LEU 19 HB2 LEU 19 -6.317 0.785 5.276 161 2HB LEU 19 HB1 LEU 19 -4.640 0.880 5.775 162 HG LEU 19 HG LEU 19 -6.412 -1.503 6.299 163 1HD1 LEU 19 HD11 LEU 19 -4.367 -1.088 4.123 164 2HD1 LEU 19 HD12 LEU 19 -6.114 -1.162 3.896 165 3HD1 LEU 19 HD13 LEU 19 -5.236 -2.584 4.458 166 1HD2 LEU 19 HD21 LEU 19 -3.425 -1.125 6.487 167 2HD2 LEU 19 HD22 LEU 19 -4.292 -2.640 6.747 168 3HD2 LEU 19 HD23 LEU 19 -4.541 -1.282 7.844 169 H LEU 20 HN LEU 20 -7.646 2.596 6.225 170 HA LEU 20 HA LEU 20 -6.134 4.970 6.194 171 1HB LEU 20 HB2 LEU 20 -9.123 4.566 6.057 172 2HB LEU 20 HB1 LEU 20 -8.320 6.092 5.745 173 HG LEU 20 HG LEU 20 -7.926 3.565 4.137 174 1HD1 LEU 20 HD11 LEU 20 -10.156 4.507 3.836 175 2HD1 LEU 20 HD12 LEU 20 -9.170 4.730 2.391 176 3HD1 LEU 20 HD13 LEU 20 -9.448 6.085 3.484 177 1HD2 LEU 20 HD21 LEU 20 -6.910 6.375 3.725 178 2HD2 LEU 20 HD22 LEU 20 -6.743 5.051 2.573 179 3HD2 LEU 20 HD23 LEU 20 -5.940 4.961 4.141 180 H ASP 21 HN ASP 21 -8.342 3.602 8.534 181 HA ASP 21 HA ASP 21 -8.738 5.875 10.140 182 1HB ASP 21 HB2 ASP 21 -9.975 3.615 10.222 183 2HB ASP 21 HB1 ASP 21 -8.637 3.069 11.230 184 H VAL 22 HN VAL 22 -6.293 3.303 10.240 185 HA VAL 22 HA VAL 22 -4.884 4.201 12.493 186 HB VAL 22 HB VAL 22 -3.769 2.827 10.034 187 1HG1 VAL 22 HG11 VAL 22 -1.935 2.120 11.515 188 2HG1 VAL 22 HG12 VAL 22 -2.600 3.129 12.799 189 3HG1 VAL 22 HG13 VAL 22 -1.995 3.872 11.317 190 1HG2 VAL 22 HG21 VAL 22 -5.515 1.509 11.067 191 2HG2 VAL 22 HG22 VAL 22 -4.764 1.704 12.650 192 3HG2 VAL 22 HG23 VAL 22 -3.943 0.776 11.395 193 H LEU 23 HN LEU 23 -4.591 5.064 9.071 194 HA LEU 23 HA LEU 23 -2.340 6.728 9.287 195 1HB LEU 23 HB2 LEU 23 -4.632 6.929 7.334 196 2HB LEU 23 HB1 LEU 23 -3.068 7.697 7.152 197 HG LEU 23 HG LEU 23 -3.574 4.718 7.172 198 1HD1 LEU 23 HD11 LEU 23 -2.840 6.598 4.931 199 2HD1 LEU 23 HD12 LEU 23 -4.388 5.781 5.146 200 3HD1 LEU 23 HD13 LEU 23 -2.935 4.841 4.808 201 1HD2 LEU 23 HD21 LEU 23 -1.220 4.522 6.542 202 2HD2 LEU 23 HD22 LEU 23 -1.399 5.277 8.126 203 3HD2 LEU 23 HD23 LEU 23 -1.025 6.266 6.716 204 H VAL 24 HN VAL 24 -5.808 7.519 9.426 205 HA VAL 24 HA VAL 24 -5.402 10.308 9.867 206 HB VAL 24 HB VAL 24 -7.831 8.623 10.512 207 1HG1 VAL 24 HG11 VAL 24 -7.892 10.748 11.680 208 2HG1 VAL 24 HG12 VAL 24 -9.064 10.749 10.362 209 3HG1 VAL 24 HG13 VAL 24 -7.534 11.607 10.182 210 1HG2 VAL 24 HG21 VAL 24 -8.703 9.409 8.362 211 2HG2 VAL 24 HG22 VAL 24 -7.232 8.458 8.158 212 3HG2 VAL 24 HG23 VAL 24 -7.170 10.216 8.039 213 H LYS 25 HN LYS 25 -5.799 7.515 11.936 214 HA LYS 25 HA LYS 25 -6.243 8.740 14.403 215 1HB LYS 25 HB2 LYS 25 -6.331 6.262 13.736 216 2HB LYS 25 HB1 LYS 25 -4.598 6.246 14.011 217 1HG LYS 25 HG2 LYS 25 -4.985 6.930 16.340 218 2HG LYS 25 HG1 LYS 25 -6.726 6.873 16.046 219 1HD LYS 25 HD2 LYS 25 -4.772 4.578 15.897 220 2HD LYS 25 HD1 LYS 25 -6.053 4.809 17.091 221 1HE LYS 25 HE2 LYS 25 -7.744 4.554 15.368 222 2HE LYS 25 HE1 LYS 25 -6.499 4.430 14.125 223 1HZ LYS 25 HZ1 LYS 25 -7.059 2.500 16.312 224 2HZ LYS 25 HZ2 LYS 25 -5.691 2.413 15.315 225 3HZ LYS 25 HZ3 LYS 25 -7.240 2.247 14.640 226 H GLU 26 HN GLU 26 -3.245 8.044 12.684 227 HA GLU 26 HA GLU 26 -1.675 9.168 14.871 228 1HB GLU 26 HB2 GLU 26 -0.786 7.962 12.245 229 2HB GLU 26 HB1 GLU 26 0.282 8.474 13.545 230 1HG GLU 26 HG2 GLU 26 -1.721 6.234 13.619 231 2HG GLU 26 HG1 GLU 26 0.036 6.094 13.608 232 H GLU 27 HN GLU 27 -3.300 10.335 12.227 233 HA GLU 27 HA GLU 27 -3.202 12.194 10.927 234 1HB GLU 27 HB2 GLU 27 -2.130 12.979 13.548 235 2HB GLU 27 HB1 GLU 27 -1.646 14.041 12.232 236 1HG GLU 27 HG2 GLU 27 -4.487 13.286 12.871 237 2HG GLU 27 HG1 GLU 27 -3.698 14.777 13.384 238 H VAL 28 HN VAL 28 -1.529 10.344 10.007 239 HA VAL 28 HA VAL 28 1.185 11.219 9.824 240 HB VAL 28 HB VAL 28 1.500 9.419 8.221 241 1HG1 VAL 28 HG11 VAL 28 -0.262 8.587 10.521 242 2HG1 VAL 28 HG12 VAL 28 1.482 8.839 10.579 243 3HG1 VAL 28 HG13 VAL 28 0.813 7.527 9.611 244 1HG2 VAL 28 HG21 VAL 28 -0.568 9.668 6.951 245 2HG2 VAL 28 HG22 VAL 28 -1.493 9.063 8.325 246 3HG2 VAL 28 HG23 VAL 28 -0.354 8.004 7.494 247 H THR 29 HN THR 29 2.286 11.994 8.005 248 HA THR 29 HA THR 29 0.760 13.696 6.248 249 HB THR 29 HB THR 29 2.995 14.297 5.320 250 HG1 THR 29 HG1 THR 29 4.821 13.395 6.600 251 1HG2 THR 29 HG21 THR 29 2.123 15.526 7.249 252 2HG2 THR 29 HG22 THR 29 3.876 15.372 7.345 253 3HG2 THR 29 HG23 THR 29 2.844 14.343 8.340 254 HA PRO 30 HA PRO 30 0.401 11.016 2.695 255 1HB PRO 30 HB2 PRO 30 1.601 12.660 0.770 256 2HB PRO 30 HB1 PRO 30 -0.114 12.639 1.189 257 1HG PRO 30 HG2 PRO 30 2.039 14.495 2.078 258 2HG PRO 30 HG1 PRO 30 0.326 14.829 1.760 259 1HD PRO 30 HD2 PRO 30 1.276 14.649 4.261 260 2HD PRO 30 HD1 PRO 30 -0.339 14.044 3.838 261 H ASP 31 HN ASP 31 3.427 12.813 2.967 262 HA ASP 31 HA ASP 31 5.145 11.112 1.590 263 1HB ASP 31 HB2 ASP 31 5.767 13.364 2.307 264 2HB ASP 31 HB1 ASP 31 5.661 12.882 3.994 265 H LEU 32 HN LEU 32 4.395 11.224 5.060 266 HA LEU 32 HA LEU 32 5.994 9.010 5.786 267 1HB LEU 32 HB2 LEU 32 5.264 10.716 7.384 268 2HB LEU 32 HB1 LEU 32 3.597 10.219 7.170 269 HG LEU 32 HG LEU 32 4.123 8.025 8.150 270 1HD1 LEU 32 HD11 LEU 32 6.457 7.872 7.503 271 2HD1 LEU 32 HD12 LEU 32 6.279 7.676 9.246 272 3HD1 LEU 32 HD13 LEU 32 6.862 9.204 8.587 273 1HD2 LEU 32 HD21 LEU 32 4.461 8.800 10.448 274 2HD2 LEU 32 HD22 LEU 32 3.304 9.810 9.582 275 3HD2 LEU 32 HD23 LEU 32 4.953 10.380 9.839 276 H ALA 33 HN ALA 33 2.566 9.334 4.966 277 HA ALA 33 HA ALA 33 1.757 6.744 5.659 278 1HB ALA 33 HB1 ALA 33 0.619 8.495 3.490 279 2HB ALA 33 HB2 ALA 33 0.217 8.609 5.204 280 3HB ALA 33 HB3 ALA 33 -0.190 7.151 4.297 281 H LEU 34 HN LEU 34 2.941 8.052 2.567 282 HA LEU 34 HA LEU 34 2.611 5.685 1.088 283 1HB LEU 34 HB2 LEU 34 4.619 7.907 0.710 284 2HB LEU 34 HB1 LEU 34 4.279 6.652 -0.466 285 HG LEU 34 HG LEU 34 2.365 8.787 0.477 286 1HD1 LEU 34 HD11 LEU 34 2.483 9.545 -1.846 287 2HD1 LEU 34 HD12 LEU 34 3.698 8.311 -2.181 288 3HD1 LEU 34 HD13 LEU 34 4.055 9.616 -1.050 289 1HD2 LEU 34 HD21 LEU 34 1.946 6.537 -1.482 290 2HD2 LEU 34 HD22 LEU 34 0.831 7.877 -1.210 291 3HD2 LEU 34 HD23 LEU 34 1.159 6.725 0.086 292 H MET 35 HN MET 35 5.312 6.882 3.031 293 HA MET 35 HA MET 35 7.101 4.788 2.340 294 1HB MET 35 HB2 MET 35 7.867 6.926 3.274 295 2HB MET 35 HB1 MET 35 7.079 6.547 4.798 296 1HG MET 35 HG2 MET 35 8.583 4.761 5.228 297 2HG MET 35 HG1 MET 35 9.245 4.842 3.598 298 1HE MET 35 HE1 MET 35 8.393 7.978 5.837 299 2HE MET 35 HE2 MET 35 9.891 8.158 6.750 300 3HE MET 35 HE3 MET 35 8.863 6.748 7.010 301 H CYS 36 HN CYS 36 4.549 5.055 4.702 302 HA CYS 36 HA CYS 36 5.358 2.669 6.118 303 1HB CYS 36 HB2 CYS 36 2.781 4.248 6.279 304 2HB CYS 36 HB1 CYS 36 3.277 2.972 7.388 305 HG CYS 36 HG CYS 36 4.684 6.063 7.019 306 H LEU 37 HN LEU 37 2.688 3.586 3.948 307 HA LEU 37 HA LEU 37 1.433 1.080 3.872 308 1HB LEU 37 HB2 LEU 37 1.485 3.302 1.834 309 2HB LEU 37 HB1 LEU 37 0.425 1.911 1.735 310 HG LEU 37 HG LEU 37 0.408 3.907 3.999 311 1HD1 LEU 37 HD11 LEU 37 -1.652 4.751 3.011 312 2HD1 LEU 37 HD12 LEU 37 -1.471 3.634 1.657 313 3HD1 LEU 37 HD13 LEU 37 -0.302 4.933 1.891 314 1HD2 LEU 37 HD21 LEU 37 -1.726 2.840 4.574 315 2HD2 LEU 37 HD22 LEU 37 -0.382 1.701 4.653 316 3HD2 LEU 37 HD23 LEU 37 -1.482 1.672 3.276 317 H GLY 38 HN GLY 38 3.800 2.522 1.632 318 1HA GLY 38 HA2 GLY 38 3.905 0.365 -0.169 319 2HA GLY 38 HA1 GLY 38 5.161 1.574 0.048 320 H ASN 39 HN ASN 39 5.649 0.995 2.801 321 HA ASN 39 HA ASN 39 7.578 -1.058 2.546 322 1HB ASN 39 HB2 ASN 39 7.483 0.990 4.139 323 2HB ASN 39 HB1 ASN 39 6.518 -0.049 5.175 324 1HD2 ASN 39 HD21 ASN 39 9.237 1.194 5.354 325 2HD2 ASN 39 HD22 ASN 39 10.285 -0.107 5.804 326 H ALA 40 HN ALA 40 4.369 -0.893 4.011 327 HA ALA 40 HA ALA 40 4.315 -3.512 5.069 328 1HB ALA 40 HB1 ALA 40 1.909 -3.203 5.226 329 2HB ALA 40 HB2 ALA 40 2.000 -1.808 4.152 330 3HB ALA 40 HB3 ALA 40 2.748 -1.742 5.746 331 H VAL 41 HN VAL 41 3.173 -2.161 1.982 332 HA VAL 41 HA VAL 41 2.125 -4.513 0.876 333 HB VAL 41 HB VAL 41 3.471 -2.235 -0.599 334 1HG1 VAL 41 HG11 VAL 41 1.509 -4.311 -1.575 335 2HG1 VAL 41 HG12 VAL 41 3.222 -4.225 -1.988 336 3HG1 VAL 41 HG13 VAL 41 2.122 -2.950 -2.513 337 1HG2 VAL 41 HG21 VAL 41 0.550 -2.633 0.037 338 2HG2 VAL 41 HG22 VAL 41 1.260 -1.286 -0.853 339 3HG2 VAL 41 HG23 VAL 41 1.624 -1.503 0.860 340 H THR 42 HN THR 42 5.392 -3.174 0.815 341 HA THR 42 HA THR 42 6.602 -4.954 -0.941 342 HB THR 42 HB THR 42 7.807 -3.600 1.485 343 HG1 THR 42 HG1 THR 42 6.989 -2.117 -0.026 344 1HG2 THR 42 HG21 THR 42 9.961 -3.894 0.344 345 2HG2 THR 42 HG22 THR 42 9.163 -4.826 -0.924 346 3HG2 THR 42 HG23 THR 42 9.218 -5.447 0.728 347 H ASN 43 HN ASN 43 6.133 -5.229 2.573 348 HA ASN 43 HA ASN 43 7.543 -7.624 2.951 349 1HB ASN 43 HB2 ASN 43 6.805 -6.225 4.829 350 2HB ASN 43 HB1 ASN 43 5.124 -6.604 4.463 351 1HD2 ASN 43 HD21 ASN 43 4.705 -7.571 6.418 352 2HD2 ASN 43 HD22 ASN 43 5.381 -9.097 6.881 353 H ILE 44 HN ILE 44 4.171 -7.027 2.099 354 HA ILE 44 HA ILE 44 3.302 -9.706 2.297 355 HB ILE 44 HB ILE 44 2.141 -7.485 0.611 356 1HG1 ILE 44 HG12 ILE 44 2.279 -6.841 2.969 357 2HG1 ILE 44 HG11 ILE 44 0.605 -7.131 2.510 358 1HG2 ILE 44 HG21 ILE 44 0.925 -10.066 1.584 359 2HG2 ILE 44 HG22 ILE 44 1.301 -9.644 -0.086 360 3HG2 ILE 44 HG23 ILE 44 0.040 -8.769 0.783 361 1HD1 ILE 44 HD11 ILE 44 0.697 -9.330 3.568 362 2HD1 ILE 44 HD12 ILE 44 1.083 -8.042 4.707 363 3HD1 ILE 44 HD13 ILE 44 2.374 -9.035 4.030 364 H ILE 45 HN ILE 45 4.343 -7.760 -0.499 365 HA ILE 45 HA ILE 45 3.882 -9.859 -2.373 366 HB ILE 45 HB ILE 45 5.614 -7.406 -2.728 367 1HG1 ILE 45 HG12 ILE 45 2.687 -7.849 -3.354 368 2HG1 ILE 45 HG11 ILE 45 3.318 -6.812 -2.079 369 1HG2 ILE 45 HG21 ILE 45 5.205 -7.750 -5.111 370 2HG2 ILE 45 HG22 ILE 45 4.294 -9.213 -4.749 371 3HG2 ILE 45 HG23 ILE 45 6.020 -9.139 -4.398 372 1HD1 ILE 45 HD11 ILE 45 3.714 -6.425 -5.037 373 2HD1 ILE 45 HD12 ILE 45 4.352 -5.382 -3.766 374 3HD1 ILE 45 HD13 ILE 45 2.609 -5.518 -4.003 375 H ALA 46 HN ALA 46 6.586 -8.944 -0.377 376 HA ALA 46 HA ALA 46 8.620 -10.274 -1.834 377 1HB ALA 46 HB1 ALA 46 9.089 -8.558 -0.144 378 2HB ALA 46 HB2 ALA 46 9.970 -10.054 0.167 379 3HB ALA 46 HB3 ALA 46 8.538 -9.663 1.117 380 H GLN 47 HN GLN 47 6.066 -11.478 0.064 381 HA GLN 47 HA GLN 47 7.442 -13.964 0.726 382 1HB GLN 47 HB2 GLN 47 4.582 -13.146 1.265 383 2HB GLN 47 HB1 GLN 47 5.415 -14.538 1.947 384 1HG GLN 47 HG2 GLN 47 6.968 -13.054 3.095 385 2HG GLN 47 HG1 GLN 47 6.152 -11.656 2.403 386 1HE2 GLN 47 HE21 GLN 47 5.591 -10.784 4.347 387 2HE2 GLN 47 HE22 GLN 47 4.407 -11.482 5.396 388 H VAL 48 HN VAL 48 6.012 -12.724 -1.914 389 HA VAL 48 HA VAL 48 4.586 -15.108 -2.781 390 HB VAL 48 HB VAL 48 5.144 -12.537 -4.280 391 1HG1 VAL 48 HG11 VAL 48 4.593 -14.408 -5.740 392 2HG1 VAL 48 HG12 VAL 48 3.299 -13.211 -5.719 393 3HG1 VAL 48 HG13 VAL 48 3.126 -14.712 -4.808 394 1HG2 VAL 48 HG21 VAL 48 3.864 -12.062 -2.278 395 2HG2 VAL 48 HG22 VAL 48 2.721 -13.344 -2.671 396 3HG2 VAL 48 HG23 VAL 48 2.831 -11.916 -3.701 397 HA PRO 49 HA PRO 49 8.177 -16.771 -4.901 398 1HB PRO 49 HB2 PRO 49 6.182 -18.055 -6.672 399 2HB PRO 49 HB1 PRO 49 7.444 -18.796 -5.683 400 1HG PRO 49 HG2 PRO 49 4.858 -18.973 -5.009 401 2HG PRO 49 HG1 PRO 49 6.130 -18.818 -3.784 402 1HD PRO 49 HD2 PRO 49 4.245 -16.744 -4.831 403 2HD PRO 49 HD1 PRO 49 4.823 -17.007 -3.172 404 H GLU 50 HN GLU 50 9.290 -16.387 -6.752 405 HA GLU 50 HA GLU 50 8.839 -13.940 -7.974 406 1HB GLU 50 HB2 GLU 50 10.974 -15.452 -7.757 407 2HB GLU 50 HB1 GLU 50 10.492 -16.015 -9.353 408 1HG GLU 50 HG2 GLU 50 12.072 -14.246 -9.605 409 2HG GLU 50 HG1 GLU 50 10.489 -13.661 -10.121 410 H SER 51 HN SER 51 7.733 -17.095 -8.925 411 HA SER 51 HA SER 51 7.270 -16.796 -11.631 412 1HB SER 51 HB2 SER 51 5.515 -18.214 -9.613 413 2HB SER 51 HB1 SER 51 5.492 -18.478 -11.357 414 HG SER 51 HG SER 51 7.507 -19.356 -11.265 415 H LYS 52 HN LYS 52 5.486 -15.397 -8.953 416 HA LYS 52 HA LYS 52 3.861 -13.953 -10.924 417 1HB LYS 52 HB2 LYS 52 1.856 -14.210 -9.526 418 2HB LYS 52 HB1 LYS 52 2.462 -15.765 -10.084 419 1HG LYS 52 HG2 LYS 52 3.594 -16.016 -7.866 420 2HG LYS 52 HG1 LYS 52 2.735 -14.569 -7.337 421 1HD LYS 52 HD2 LYS 52 1.496 -17.153 -8.281 422 2HD LYS 52 HD1 LYS 52 1.546 -16.562 -6.622 423 1HE LYS 52 HE2 LYS 52 0.185 -14.620 -7.305 424 2HE LYS 52 HE1 LYS 52 0.108 -15.278 -8.939 425 1HZ LYS 52 HZ1 LYS 52 -1.869 -15.946 -7.907 426 2HZ LYS 52 HZ2 LYS 52 -1.089 -16.380 -6.467 427 3HZ LYS 52 HZ3 LYS 52 -0.880 -17.325 -7.860 428 H ARG 53 HN ARG 53 6.040 -13.721 -8.515 429 HA ARG 53 HA ARG 53 4.949 -11.688 -6.867 430 1HB ARG 53 HB2 ARG 53 6.805 -13.062 -6.108 431 2HB ARG 53 HB1 ARG 53 7.826 -12.443 -7.400 432 1HG ARG 53 HG2 ARG 53 7.974 -10.321 -6.415 433 2HG ARG 53 HG1 ARG 53 6.620 -10.639 -5.330 434 1HD ARG 53 HD2 ARG 53 8.749 -10.730 -4.142 435 2HD ARG 53 HD1 ARG 53 7.949 -12.298 -4.139 436 HE ARG 53 HE ARG 53 9.709 -12.208 -6.314 437 1HH1 ARG 53 HH11 ARG 53 9.727 -12.424 -2.821 438 2HH1 ARG 53 HH12 ARG 53 11.348 -13.027 -2.733 439 1HH2 ARG 53 HH21 ARG 53 11.868 -12.970 -6.208 440 2HH2 ARG 53 HH22 ARG 53 12.563 -13.351 -4.659 441 H VAL 54 HN VAL 54 7.332 -11.512 -9.525 442 HA VAL 54 HA VAL 54 7.428 -8.706 -9.649 443 HB VAL 54 HB VAL 54 7.845 -10.669 -11.917 444 1HG1 VAL 54 HG11 VAL 54 9.203 -8.895 -12.926 445 2HG1 VAL 54 HG12 VAL 54 8.763 -7.811 -11.608 446 3HG1 VAL 54 HG13 VAL 54 7.526 -8.390 -12.722 447 1HG2 VAL 54 HG21 VAL 54 10.231 -10.479 -11.356 448 2HG2 VAL 54 HG22 VAL 54 9.292 -11.169 -10.031 449 3HG2 VAL 54 HG23 VAL 54 9.813 -9.485 -9.960 450 H ALA 55 HN ALA 55 5.205 -11.045 -10.962 451 HA ALA 55 HA ALA 55 3.854 -9.342 -12.767 452 1HB ALA 55 HB1 ALA 55 3.687 -11.772 -12.891 453 2HB ALA 55 HB2 ALA 55 2.094 -11.023 -12.762 454 3HB ALA 55 HB3 ALA 55 2.824 -11.794 -11.353 455 H VAL 56 HN VAL 56 3.000 -10.355 -9.437 456 HA VAL 56 HA VAL 56 0.636 -8.812 -9.370 457 HB VAL 56 HB VAL 56 0.628 -9.166 -6.929 458 1HG1 VAL 56 HG11 VAL 56 -0.306 -10.855 -8.395 459 2HG1 VAL 56 HG12 VAL 56 0.461 -11.611 -6.997 460 3HG1 VAL 56 HG13 VAL 56 1.276 -11.613 -8.560 461 1HG2 VAL 56 HG21 VAL 56 3.022 -9.023 -6.491 462 2HG2 VAL 56 HG22 VAL 56 3.279 -10.530 -7.370 463 3HG2 VAL 56 HG23 VAL 56 2.350 -10.530 -5.871 464 H VAL 57 HN VAL 57 3.957 -8.059 -8.394 465 HA VAL 57 HA VAL 57 3.250 -5.581 -7.166 466 HB VAL 57 HB VAL 57 5.365 -6.788 -6.641 467 1HG1 VAL 57 HG11 VAL 57 6.002 -7.477 -8.877 468 2HG1 VAL 57 HG12 VAL 57 7.294 -6.553 -8.113 469 3HG1 VAL 57 HG13 VAL 57 6.270 -5.795 -9.334 470 1HG2 VAL 57 HG21 VAL 57 5.637 -3.944 -7.590 471 2HG2 VAL 57 HG22 VAL 57 6.798 -4.771 -6.550 472 3HG2 VAL 57 HG23 VAL 57 5.150 -4.488 -5.985 473 H ASP 58 HN ASP 58 3.914 -6.593 -10.423 474 HA ASP 58 HA ASP 58 4.351 -3.966 -11.483 475 1HB ASP 58 HB2 ASP 58 4.940 -6.320 -12.494 476 2HB ASP 58 HB1 ASP 58 3.306 -6.222 -13.143 477 H ASN 59 HN ASN 59 1.618 -6.221 -11.402 478 HA ASN 59 HA ASN 59 -0.255 -4.533 -12.660 479 1HB ASN 59 HB2 ASN 59 -0.534 -6.862 -10.774 480 2HB ASN 59 HB1 ASN 59 -1.946 -5.963 -11.320 481 1HD2 ASN 59 HD21 ASN 59 0.613 -8.127 -12.244 482 2HD2 ASN 59 HD22 ASN 59 -0.055 -8.572 -13.782 483 H PHE 60 HN PHE 60 0.653 -4.952 -9.275 484 HA PHE 60 HA PHE 60 -1.205 -3.295 -8.048 485 1HB PHE 60 HB2 PHE 60 0.478 -4.742 -6.888 486 2HB PHE 60 HB1 PHE 60 1.720 -3.570 -7.322 487 HD1 PHE 60 HD1 PHE 60 -1.533 -3.810 -5.522 488 HD2 PHE 60 HD2 PHE 60 2.242 -1.877 -5.877 489 HE1 PHE 60 HE1 PHE 60 -1.990 -2.543 -3.462 490 HE2 PHE 60 HE2 PHE 60 1.790 -0.609 -3.821 491 HZ PHE 60 HZ PHE 60 -0.324 -0.941 -2.610 492 H THR 61 HN THR 61 1.998 -2.479 -9.328 493 HA THR 61 HA THR 61 1.809 0.263 -8.656 494 HB THR 61 HB THR 61 3.807 0.444 -10.264 495 HG1 THR 61 HG1 THR 61 3.873 -2.376 -10.010 496 1HG2 THR 61 HG21 THR 61 5.298 -0.639 -8.622 497 2HG2 THR 61 HG22 THR 61 3.897 -1.418 -7.888 498 3HG2 THR 61 HG23 THR 61 4.050 0.340 -7.847 499 H LYS 62 HN LYS 62 1.188 -1.565 -11.655 500 HA LYS 62 HA LYS 62 0.656 0.654 -13.308 501 1HB LYS 62 HB2 LYS 62 0.860 -1.628 -14.198 502 2HB LYS 62 HB1 LYS 62 -0.632 -2.082 -13.380 503 1HG LYS 62 HG2 LYS 62 -1.705 -0.172 -14.729 504 2HG LYS 62 HG1 LYS 62 -0.254 -0.264 -15.727 505 1HD LYS 62 HD2 LYS 62 -0.704 -2.597 -16.217 506 2HD LYS 62 HD1 LYS 62 -2.111 -2.570 -15.148 507 1HE LYS 62 HE2 LYS 62 -3.078 -0.779 -16.591 508 2HE LYS 62 HE1 LYS 62 -1.731 -1.019 -17.703 509 1HZ LYS 62 HZ1 LYS 62 -3.642 -2.250 -18.445 510 2HZ LYS 62 HZ2 LYS 62 -3.777 -3.036 -16.952 511 3HZ LYS 62 HZ3 LYS 62 -2.439 -3.341 -17.954 512 H ALA 63 HN ALA 63 -1.536 -1.299 -11.299 513 HA ALA 63 HA ALA 63 -3.901 0.055 -11.942 514 1HB ALA 63 HB1 ALA 63 -3.847 -2.137 -10.844 515 2HB ALA 63 HB2 ALA 63 -4.849 -0.985 -9.961 516 3HB ALA 63 HB3 ALA 63 -3.233 -1.378 -9.373 517 H LEU 64 HN LEU 64 -1.478 0.672 -9.459 518 HA LEU 64 HA LEU 64 -2.805 2.660 -8.020 519 1HB LEU 64 HB2 LEU 64 0.061 2.013 -8.523 520 2HB LEU 64 HB1 LEU 64 -0.334 3.529 -7.740 521 HG LEU 64 HG LEU 64 -1.204 0.827 -6.709 522 1HD1 LEU 64 HD11 LEU 64 0.547 1.128 -5.024 523 2HD1 LEU 64 HD12 LEU 64 1.099 2.579 -5.862 524 3HD1 LEU 64 HD13 LEU 64 1.216 1.004 -6.650 525 1HD2 LEU 64 HD21 LEU 64 -1.701 2.070 -4.665 526 2HD2 LEU 64 HD22 LEU 64 -2.632 2.690 -6.028 527 3HD2 LEU 64 HD23 LEU 64 -1.215 3.573 -5.454 528 H LYS 65 HN LYS 65 -0.507 3.063 -10.723 529 HA LYS 65 HA LYS 65 -0.707 5.843 -10.866 530 1HB LYS 65 HB2 LYS 65 -0.010 3.816 -12.985 531 2HB LYS 65 HB1 LYS 65 0.077 5.552 -13.258 532 1HG LYS 65 HG2 LYS 65 1.646 5.682 -11.306 533 2HG LYS 65 HG1 LYS 65 1.674 3.916 -11.304 534 1HD LYS 65 HD2 LYS 65 2.569 3.881 -13.543 535 2HD LYS 65 HD1 LYS 65 2.395 5.632 -13.679 536 1HE LYS 65 HE2 LYS 65 3.986 5.848 -11.752 537 2HE LYS 65 HE1 LYS 65 4.260 4.110 -11.864 538 1HZ LYS 65 HZ1 LYS 65 5.108 4.377 -14.078 539 2HZ LYS 65 HZ2 LYS 65 5.939 5.443 -13.054 540 3HZ LYS 65 HZ3 LYS 65 4.727 6.028 -14.084 541 H GLN 66 HN GLN 66 -2.618 3.336 -12.469 542 HA GLN 66 HA GLN 66 -4.130 5.138 -14.058 543 1HB GLN 66 HB2 GLN 66 -4.641 2.302 -13.176 544 2HB GLN 66 HB1 GLN 66 -5.753 3.190 -14.209 545 1HG GLN 66 HG2 GLN 66 -3.927 3.502 -15.843 546 2HG GLN 66 HG1 GLN 66 -2.889 2.506 -14.825 547 1HE2 GLN 66 HE21 GLN 66 -3.863 2.133 -17.583 548 2HE2 GLN 66 HE22 GLN 66 -4.634 0.581 -17.593 549 H SER 67 HN SER 67 -4.735 3.631 -10.892 550 HA SER 67 HA SER 67 -7.370 4.645 -10.656 551 1HB SER 67 HB2 SER 67 -6.454 2.682 -9.384 552 2HB SER 67 HB1 SER 67 -5.533 3.817 -8.400 553 HG SER 67 HG SER 67 -8.213 4.424 -8.607 554 H VAL 68 HN VAL 68 -4.216 5.872 -9.644 555 HA VAL 68 HA VAL 68 -5.244 8.037 -8.112 556 HB VAL 68 HB VAL 68 -2.537 7.641 -9.393 557 1HG1 VAL 68 HG11 VAL 68 -3.388 9.766 -7.427 558 2HG1 VAL 68 HG12 VAL 68 -2.983 10.034 -9.122 559 3HG1 VAL 68 HG13 VAL 68 -1.743 9.479 -7.998 560 1HG2 VAL 68 HG21 VAL 68 -3.066 6.058 -7.621 561 2HG2 VAL 68 HG22 VAL 68 -3.480 7.389 -6.541 562 3HG2 VAL 68 HG23 VAL 68 -1.818 7.188 -7.093 563 H LEU 69 HN LEU 69 -3.980 7.850 -11.436 564 HA LEU 69 HA LEU 69 -4.376 10.609 -11.968 565 1HB LEU 69 HB2 LEU 69 -4.029 8.280 -13.849 566 2HB LEU 69 HB1 LEU 69 -4.042 9.960 -14.349 567 HG LEU 69 HG LEU 69 -2.017 8.689 -12.505 568 1HD1 LEU 69 HD11 LEU 69 -1.774 9.643 -15.355 569 2HD1 LEU 69 HD12 LEU 69 -1.769 7.965 -14.817 570 3HD1 LEU 69 HD13 LEU 69 -0.454 9.043 -14.352 571 1HD2 LEU 69 HD21 LEU 69 -2.402 11.025 -11.931 572 2HD2 LEU 69 HD22 LEU 69 -2.173 11.492 -13.616 573 3HD2 LEU 69 HD23 LEU 69 -0.825 10.827 -12.696 574 H GLU 70 HN GLU 70 -6.270 7.714 -12.821 575 HA GLU 70 HA GLU 70 -8.221 9.343 -14.198 576 1HB GLU 70 HB2 GLU 70 -7.448 6.942 -14.790 577 2HB GLU 70 HB1 GLU 70 -8.568 6.434 -13.534 578 1HG GLU 70 HG2 GLU 70 -9.598 6.306 -15.720 579 2HG GLU 70 HG1 GLU 70 -10.402 7.514 -14.719 580 H HIS 71 HN HIS 71 -7.666 9.022 -11.045 581 HA HIS 71 HA HIS 71 -10.331 8.532 -10.076 582 1HB HIS 71 HB2 HIS 71 -8.026 8.347 -8.812 583 2HB HIS 71 HB1 HIS 71 -8.298 10.054 -8.483 584 HD1 HIS 71 HD1 HIS 71 -10.138 10.657 -6.786 585 HD2 HIS 71 HD2 HIS 71 -9.790 6.579 -7.532 586 HE1 HIS 71 HE1 HIS 71 -11.497 9.518 -5.003 587 HE2 HIS 71 HE2 HIS 71 -11.115 7.053 -5.360 588 H HIS 72 HN HIS 72 -8.745 11.110 -11.557 589 HA HIS 72 HA HIS 72 -11.030 12.832 -10.935 590 1HB HIS 72 HB2 HIS 72 -9.569 14.829 -11.076 591 2HB HIS 72 HB1 HIS 72 -9.164 13.792 -9.719 592 HD1 HIS 72 HD1 HIS 72 -6.918 12.378 -9.967 593 HD2 HIS 72 HD2 HIS 72 -7.522 15.333 -12.833 594 HE1 HIS 72 HE1 HIS 72 -4.674 12.748 -11.046 595 HE2 HIS 72 HE2 HIS 72 -5.026 14.667 -12.646 596 H HIS 73 HN HIS 73 -12.185 12.753 -12.705 597 HA HIS 73 HA HIS 73 -10.935 12.424 -15.303 598 1HB HIS 73 HB2 HIS 73 -13.849 12.669 -14.520 599 2HB HIS 73 HB1 HIS 73 -13.267 12.298 -16.138 600 HD1 HIS 73 HD1 HIS 73 -12.593 9.894 -16.616 601 HD2 HIS 73 HD2 HIS 73 -13.565 10.567 -12.632 602 HE1 HIS 73 HE1 HIS 73 -12.782 7.615 -15.572 603 HE2 HIS 73 HE2 HIS 73 -13.161 8.058 -13.120 604 H HIS 74 HN HIS 74 -10.593 14.003 -16.746 605 HA HIS 74 HA HIS 74 -10.958 16.710 -16.192 606 1HB HIS 74 HB2 HIS 74 -10.605 17.110 -18.623 607 2HB HIS 74 HB1 HIS 74 -9.395 16.051 -17.919 608 HD1 HIS 74 HD1 HIS 74 -11.689 16.319 -20.716 609 HD2 HIS 74 HD2 HIS 74 -9.907 13.221 -18.573 610 HE1 HIS 74 HE1 HIS 74 -11.849 14.281 -22.188 611 HE2 HIS 74 HE2 HIS 74 -10.822 12.405 -20.848 612 H HIS 75 HN HIS 75 -12.703 17.899 -16.065 613 HA HIS 75 HA HIS 75 -15.270 16.714 -16.581 614 1HB HIS 75 HB2 HIS 75 -14.514 18.208 -14.596 615 2HB HIS 75 HB1 HIS 75 -14.840 19.548 -15.688 616 HD1 HIS 75 HD1 HIS 75 -17.016 20.529 -15.041 617 HD2 HIS 75 HD2 HIS 75 -17.069 16.374 -14.835 618 HE1 HIS 75 HE1 HIS 75 -19.351 19.911 -14.338 619 HE2 HIS 75 HE2 HIS 75 -19.303 17.410 -14.043 620 H HIS 76 HN HIS 76 -13.317 17.808 -18.712 621 HA HIS 76 HA HIS 76 -15.404 18.620 -20.514 622 1HB HIS 76 HB2 HIS 76 -13.924 20.547 -21.386 623 2HB HIS 76 HB1 HIS 76 -14.887 20.833 -19.946 624 HD1 HIS 76 HD1 HIS 76 -13.692 21.725 -17.979 625 HD2 HIS 76 HD2 HIS 76 -11.091 20.054 -20.762 626 HE1 HIS 76 HE1 HIS 76 -11.374 22.259 -17.149 627 HE2 HIS 76 HE2 HIS 76 -9.819 21.347 -18.912 628 1H MET 1 HT1 MET 1 7.038 26.028 13.093 629 2H MET 1 HT2 MET 1 6.844 25.368 14.640 630 3H MET 1 HT3 MET 1 5.590 25.251 13.507 631 HA MET 1 HA MET 1 6.748 23.151 13.731 632 1HB MET 1 HB2 MET 1 7.242 24.566 11.101 633 2HB MET 1 HB1 MET 1 7.338 22.827 11.333 634 1HG MET 1 HG2 MET 1 4.977 22.763 11.911 635 2HG MET 1 HG1 MET 1 4.877 24.512 11.712 636 1HE MET 1 HE1 MET 1 2.926 22.476 10.241 637 2HE MET 1 HE2 MET 1 2.879 23.176 8.621 638 3HE MET 1 HE3 MET 1 2.842 24.226 10.040 639 HA PRO 2 HA PRO 2 11.174 23.672 14.428 640 1HB PRO 2 HB2 PRO 2 11.168 20.872 15.185 641 2HB PRO 2 HB1 PRO 2 11.423 22.285 16.209 642 1HG PRO 2 HG2 PRO 2 9.223 20.681 16.379 643 2HG PRO 2 HG1 PRO 2 9.225 22.397 16.825 644 1HD PRO 2 HD2 PRO 2 8.251 21.091 14.312 645 2HD PRO 2 HD1 PRO 2 7.528 22.420 15.244 646 H ILE 3 HN ILE 3 13.107 22.510 13.568 647 HA ILE 3 HA ILE 3 12.597 21.614 10.890 648 HB ILE 3 HB ILE 3 14.555 22.963 11.235 649 1HG1 ILE 3 HG12 ILE 3 16.306 21.494 10.233 650 2HG1 ILE 3 HG11 ILE 3 15.271 20.107 10.557 651 1HG2 ILE 3 HG21 ILE 3 15.069 22.447 13.531 652 2HG2 ILE 3 HG22 ILE 3 16.495 22.181 12.524 653 3HG2 ILE 3 HG23 ILE 3 15.544 20.807 13.088 654 1HD1 ILE 3 HD11 ILE 3 14.580 22.428 8.770 655 2HD1 ILE 3 HD12 ILE 3 13.568 21.016 9.077 656 3HD1 ILE 3 HD13 ILE 3 15.110 20.832 8.239 657 H VAL 4 HN VAL 4 11.414 19.764 11.058 658 HA VAL 4 HA VAL 4 12.996 17.386 11.543 659 HB VAL 4 HB VAL 4 11.995 17.691 13.718 660 1HG1 VAL 4 HG11 VAL 4 9.569 17.720 14.065 661 2HG1 VAL 4 HG12 VAL 4 9.325 17.763 12.319 662 3HG1 VAL 4 HG13 VAL 4 10.113 19.116 13.132 663 1HG2 VAL 4 HG21 VAL 4 10.599 15.506 12.180 664 2HG2 VAL 4 HG22 VAL 4 10.765 15.583 13.933 665 3HG2 VAL 4 HG23 VAL 4 12.196 15.411 12.920 666 H SER 5 HN SER 5 12.813 16.234 9.781 667 HA SER 5 HA SER 5 10.157 15.747 8.659 668 1HB SER 5 HB2 SER 5 11.330 17.652 7.412 669 2HB SER 5 HB1 SER 5 12.494 16.443 6.868 670 HG SER 5 HG SER 5 10.485 15.262 6.156 671 H LYS 6 HN LYS 6 12.435 14.407 10.175 672 HA LYS 6 HA LYS 6 12.998 12.208 8.308 673 1HB LYS 6 HB2 LYS 6 14.553 13.139 10.730 674 2HB LYS 6 HB1 LYS 6 14.978 11.756 9.726 675 1HG LYS 6 HG2 LYS 6 15.489 13.101 7.884 676 2HG LYS 6 HG1 LYS 6 14.658 14.498 8.564 677 1HD LYS 6 HD2 LYS 6 16.386 14.559 10.362 678 2HD LYS 6 HD1 LYS 6 17.249 13.279 9.501 679 1HE LYS 6 HE2 LYS 6 17.515 14.680 7.570 680 2HE LYS 6 HE1 LYS 6 16.501 15.931 8.288 681 1HZ LYS 6 HZ1 LYS 6 18.181 16.206 10.028 682 2HZ LYS 6 HZ2 LYS 6 18.805 16.515 8.482 683 3HZ LYS 6 HZ3 LYS 6 19.166 15.055 9.262 684 H TYR 7 HN TYR 7 11.081 13.042 10.823 685 HA TYR 7 HA TYR 7 9.691 11.918 12.217 686 1HB TYR 7 HB2 TYR 7 10.295 9.550 10.434 687 2HB TYR 7 HB1 TYR 7 8.870 9.774 11.443 688 HD1 TYR 7 HD2 TYR 7 7.271 11.676 10.855 689 HD2 TYR 7 HD1 TYR 7 10.347 10.350 8.224 690 HE1 TYR 7 HE2 TYR 7 6.111 12.744 8.966 691 HE2 TYR 7 HE1 TYR 7 9.196 11.414 6.332 692 HH TYR 7 HH TYR 7 7.097 12.205 5.668 693 H SER 8 HN SER 8 9.790 9.069 12.830 694 HA SER 8 HA SER 8 12.395 8.651 14.059 695 1HB SER 8 HB2 SER 8 9.821 8.521 15.660 696 2HB SER 8 HB1 SER 8 11.445 8.181 16.258 697 HG SER 8 HG SER 8 11.606 10.552 15.203 698 H ASN 9 HN ASN 9 12.959 6.538 14.091 699 HA ASN 9 HA ASN 9 11.750 4.767 12.336 700 1HB ASN 9 HB2 ASN 9 13.759 4.434 14.519 701 2HB ASN 9 HB1 ASN 9 13.094 2.997 13.751 702 1HD2 ASN 9 HD21 ASN 9 13.583 2.552 11.621 703 2HD2 ASN 9 HD22 ASN 9 14.862 3.369 10.775 704 H GLU 10 HN GLU 10 11.513 4.782 15.887 705 HA GLU 10 HA GLU 10 9.985 2.485 16.197 706 1HB GLU 10 HB2 GLU 10 10.958 3.649 18.092 707 2HB GLU 10 HB1 GLU 10 9.915 5.038 17.816 708 1HG GLU 10 HG2 GLU 10 7.956 3.628 18.300 709 2HG GLU 10 HG1 GLU 10 9.037 2.278 18.638 710 H ARG 11 HN ARG 11 8.874 5.818 15.754 711 HA ARG 11 HA ARG 11 6.127 5.213 15.907 712 1HB ARG 11 HB2 ARG 11 6.980 7.465 16.278 713 2HB ARG 11 HB1 ARG 11 7.530 7.555 14.611 714 1HG ARG 11 HG2 ARG 11 5.357 7.712 13.776 715 2HG ARG 11 HG1 ARG 11 4.642 7.113 15.274 716 1HD ARG 11 HD2 ARG 11 5.303 9.151 16.425 717 2HD ARG 11 HD1 ARG 11 6.079 9.744 14.958 718 HE ARG 11 HE ARG 11 4.050 10.495 14.284 719 1HH1 ARG 11 HH11 ARG 11 3.474 7.838 16.501 720 2HH1 ARG 11 HH12 ARG 11 1.749 8.040 16.490 721 1HH2 ARG 11 HH21 ARG 11 1.787 10.812 14.346 722 2HH2 ARG 11 HH22 ARG 11 0.803 9.761 15.323 723 H VAL 12 HN VAL 12 8.267 5.746 13.114 724 HA VAL 12 HA VAL 12 6.295 5.482 11.137 725 HB VAL 12 HB VAL 12 9.245 4.855 10.920 726 1HG1 VAL 12 HG11 VAL 12 8.952 5.220 8.517 727 2HG1 VAL 12 HG12 VAL 12 7.217 5.419 8.758 728 3HG1 VAL 12 HG13 VAL 12 7.980 3.863 9.085 729 1HG2 VAL 12 HG21 VAL 12 8.841 7.129 11.662 730 2HG2 VAL 12 HG22 VAL 12 7.706 7.379 10.336 731 3HG2 VAL 12 HG23 VAL 12 9.417 7.125 9.994 732 H GLU 13 HN GLU 13 8.538 3.056 12.467 733 HA GLU 13 HA GLU 13 7.580 1.017 10.725 734 1HB GLU 13 HB2 GLU 13 9.334 0.892 13.172 735 2HB GLU 13 HB1 GLU 13 8.960 -0.500 12.164 736 1HG GLU 13 HG2 GLU 13 9.931 0.701 10.225 737 2HG GLU 13 HG1 GLU 13 10.405 2.002 11.315 738 H LYS 14 HN LYS 14 6.591 2.122 13.886 739 HA LYS 14 HA LYS 14 5.039 -0.225 14.439 740 1HB LYS 14 HB2 LYS 14 5.216 2.489 15.672 741 2HB LYS 14 HB1 LYS 14 3.839 1.460 16.047 742 1HG LYS 14 HG2 LYS 14 5.445 -0.322 16.711 743 2HG LYS 14 HG1 LYS 14 6.744 0.860 16.519 744 1HD LYS 14 HD2 LYS 14 5.654 2.304 18.182 745 2HD LYS 14 HD1 LYS 14 4.395 1.086 18.396 746 1HE LYS 14 HE2 LYS 14 6.186 -0.529 19.055 747 2HE LYS 14 HE1 LYS 14 7.328 0.814 19.020 748 1HZ LYS 14 HZ1 LYS 14 5.902 1.935 20.685 749 2HZ LYS 14 HZ2 LYS 14 6.594 0.495 21.248 750 3HZ LYS 14 HZ3 LYS 14 4.960 0.526 20.786 751 H ILE 15 HN ILE 15 4.433 2.878 12.869 752 HA ILE 15 HA ILE 15 1.666 2.557 12.490 753 HB ILE 15 HB ILE 15 3.677 3.883 10.653 754 1HG1 ILE 15 HG12 ILE 15 1.824 5.085 12.723 755 2HG1 ILE 15 HG11 ILE 15 3.546 4.811 12.958 756 1HG2 ILE 15 HG21 ILE 15 1.651 3.352 9.439 757 2HG2 ILE 15 HG22 ILE 15 1.736 5.088 9.733 758 3HG2 ILE 15 HG23 ILE 15 0.668 4.081 10.710 759 1HD1 ILE 15 HD11 ILE 15 4.049 6.368 11.160 760 2HD1 ILE 15 HD12 ILE 15 3.070 7.130 12.415 761 3HD1 ILE 15 HD13 ILE 15 2.324 6.629 10.898 762 H ILE 16 HN ILE 16 4.432 1.571 10.505 763 HA ILE 16 HA ILE 16 3.045 0.167 8.520 764 HB ILE 16 HB ILE 16 5.761 -0.533 9.648 765 1HG1 ILE 16 HG12 ILE 16 5.110 1.343 7.367 766 2HG1 ILE 16 HG11 ILE 16 5.515 1.877 8.996 767 1HG2 ILE 16 HG21 ILE 16 4.825 -2.244 8.179 768 2HG2 ILE 16 HG22 ILE 16 6.197 -1.438 7.418 769 3HG2 ILE 16 HG23 ILE 16 4.553 -1.030 6.928 770 1HD1 ILE 16 HD11 ILE 16 7.301 0.293 7.169 771 2HD1 ILE 16 HD12 ILE 16 7.710 0.853 8.791 772 3HD1 ILE 16 HD13 ILE 16 7.424 2.021 7.500 773 H GLN 17 HN GLN 17 4.347 -0.903 11.632 774 HA GLN 17 HA GLN 17 3.717 -3.612 11.461 775 1HB GLN 17 HB2 GLN 17 5.190 -2.741 13.186 776 2HB GLN 17 HB1 GLN 17 3.877 -1.804 13.879 777 1HG GLN 17 HG2 GLN 17 4.369 -3.798 15.197 778 2HG GLN 17 HG1 GLN 17 2.734 -3.832 14.541 779 1HE2 GLN 17 HE21 GLN 17 2.177 -5.385 13.070 780 2HE2 GLN 17 HE22 GLN 17 3.202 -6.724 12.673 781 H ASP 18 HN ASP 18 1.826 -0.974 12.968 782 HA ASP 18 HA ASP 18 -0.351 -2.585 13.705 783 1HB ASP 18 HB2 ASP 18 0.151 -0.221 14.481 784 2HB ASP 18 HB1 ASP 18 -0.582 0.326 12.974 785 H LEU 19 HN LEU 19 0.302 -0.863 10.685 786 HA LEU 19 HA LEU 19 -2.161 -1.381 9.419 787 1HB LEU 19 HB2 LEU 19 0.610 -1.120 8.242 788 2HB LEU 19 HB1 LEU 19 -0.865 -1.147 7.296 789 HG LEU 19 HG LEU 19 -0.177 0.953 9.356 790 1HD1 LEU 19 HD11 LEU 19 1.309 1.103 7.449 791 2HD1 LEU 19 HD12 LEU 19 0.141 2.424 7.410 792 3HD1 LEU 19 HD13 LEU 19 -0.063 1.034 6.345 793 1HD2 LEU 19 HD21 LEU 19 -2.075 2.165 8.392 794 2HD2 LEU 19 HD22 LEU 19 -2.576 0.627 9.097 795 3HD2 LEU 19 HD23 LEU 19 -2.421 0.786 7.348 796 H LEU 20 HN LEU 20 0.854 -3.243 9.540 797 HA LEU 20 HA LEU 20 -0.045 -5.437 8.005 798 1HB LEU 20 HB2 LEU 20 2.073 -5.252 10.149 799 2HB LEU 20 HB1 LEU 20 1.800 -6.685 9.174 800 HG LEU 20 HG LEU 20 2.605 -3.984 8.084 801 1HD1 LEU 20 HD11 LEU 20 4.781 -5.022 7.691 802 2HD1 LEU 20 HD12 LEU 20 4.231 -6.488 8.503 803 3HD1 LEU 20 HD13 LEU 20 4.386 -4.982 9.409 804 1HD2 LEU 20 HD21 LEU 20 2.976 -5.187 5.999 805 2HD2 LEU 20 HD22 LEU 20 1.294 -5.333 6.514 806 3HD2 LEU 20 HD23 LEU 20 2.407 -6.680 6.745 807 H ASP 21 HN ASP 21 -0.315 -4.617 11.405 808 HA ASP 21 HA ASP 21 -1.285 -7.120 12.287 809 1HB ASP 21 HB2 ASP 21 -1.417 -4.344 13.411 810 2HB ASP 21 HB1 ASP 21 -2.330 -5.648 14.162 811 H VAL 22 HN VAL 22 -2.846 -4.371 10.774 812 HA VAL 22 HA VAL 22 -5.512 -5.266 11.218 813 HB VAL 22 HB VAL 22 -4.428 -3.525 8.988 814 1HG1 VAL 22 HG11 VAL 22 -7.277 -3.941 9.894 815 2HG1 VAL 22 HG12 VAL 22 -6.576 -4.528 8.387 816 3HG1 VAL 22 HG13 VAL 22 -6.737 -2.794 8.667 817 1HG2 VAL 22 HG21 VAL 22 -5.319 -1.663 10.319 818 2HG2 VAL 22 HG22 VAL 22 -4.057 -2.546 11.178 819 3HG2 VAL 22 HG23 VAL 22 -5.752 -2.796 11.600 820 H LEU 23 HN LEU 23 -3.110 -5.803 8.708 821 HA LEU 23 HA LEU 23 -4.762 -7.269 6.946 822 1HB LEU 23 HB2 LEU 23 -1.767 -7.397 7.301 823 2HB LEU 23 HB1 LEU 23 -2.657 -8.034 5.930 824 HG LEU 23 HG LEU 23 -2.457 -5.122 6.704 825 1HD1 LEU 23 HD11 LEU 23 -0.380 -6.000 5.798 826 2HD1 LEU 23 HD12 LEU 23 -1.154 -4.906 4.651 827 3HD1 LEU 23 HD13 LEU 23 -1.246 -6.650 4.405 828 1HD2 LEU 23 HD21 LEU 23 -3.605 -4.698 4.583 829 2HD2 LEU 23 HD22 LEU 23 -4.610 -5.630 5.694 830 3HD2 LEU 23 HD23 LEU 23 -3.806 -6.434 4.347 831 H VAL 24 HN VAL 24 -2.694 -8.219 9.647 832 HA VAL 24 HA VAL 24 -3.210 -11.031 9.325 833 HB VAL 24 HB VAL 24 -2.065 -9.534 11.689 834 1HG1 VAL 24 HG11 VAL 24 -1.235 -11.707 12.429 835 2HG1 VAL 24 HG12 VAL 24 -2.037 -12.486 11.064 836 3HG1 VAL 24 HG13 VAL 24 -2.997 -11.706 12.322 837 1HG2 VAL 24 HG21 VAL 24 -0.695 -9.285 9.695 838 2HG2 VAL 24 HG22 VAL 24 -0.704 -11.031 9.448 839 3HG2 VAL 24 HG23 VAL 24 0.102 -10.344 10.859 840 H LYS 25 HN LYS 25 -4.601 -8.392 11.119 841 HA LYS 25 HA LYS 25 -6.232 -9.643 12.960 842 1HB LYS 25 HB2 LYS 25 -6.133 -7.294 12.997 843 2HB LYS 25 HB1 LYS 25 -6.524 -7.158 11.294 844 1HG LYS 25 HG2 LYS 25 -8.828 -7.831 11.777 845 2HG LYS 25 HG1 LYS 25 -8.422 -7.934 13.496 846 1HD LYS 25 HD2 LYS 25 -7.930 -5.602 13.597 847 2HD LYS 25 HD1 LYS 25 -8.036 -5.444 11.845 848 1HE LYS 25 HE2 LYS 25 -10.422 -5.931 11.934 849 2HE LYS 25 HE1 LYS 25 -10.323 -6.129 13.685 850 1HZ LYS 25 HZ1 LYS 25 -9.740 -3.846 13.934 851 2HZ LYS 25 HZ2 LYS 25 -11.125 -3.907 12.962 852 3HZ LYS 25 HZ3 LYS 25 -9.608 -3.620 12.259 853 H GLU 26 HN GLU 26 -6.884 -8.982 9.541 854 HA GLU 26 HA GLU 26 -9.316 -10.608 9.666 855 1HB GLU 26 HB2 GLU 26 -8.156 -9.077 7.330 856 2HB GLU 26 HB1 GLU 26 -9.759 -9.788 7.421 857 1HG GLU 26 HG2 GLU 26 -8.781 -7.574 9.199 858 2HG GLU 26 HG1 GLU 26 -9.710 -7.331 7.722 859 H GLU 27 HN GLU 27 -6.083 -11.060 9.191 860 HA GLU 27 HA GLU 27 -4.715 -12.315 7.890 861 1HB GLU 27 HB2 GLU 27 -6.940 -14.205 8.598 862 2HB GLU 27 HB1 GLU 27 -5.566 -14.741 7.635 863 1HG GLU 27 HG2 GLU 27 -4.065 -13.948 9.444 864 2HG GLU 27 HG1 GLU 27 -5.491 -13.586 10.413 865 H VAL 28 HN VAL 28 -5.348 -10.732 6.227 866 HA VAL 28 HA VAL 28 -7.172 -11.424 4.174 867 HB VAL 28 HB VAL 28 -6.207 -9.554 2.932 868 1HG1 VAL 28 HG11 VAL 28 -6.580 -8.976 5.870 869 2HG1 VAL 28 HG12 VAL 28 -7.855 -9.083 4.658 870 3HG1 VAL 28 HG13 VAL 28 -6.667 -7.784 4.573 871 1HG2 VAL 28 HG21 VAL 28 -4.352 -8.254 3.868 872 2HG2 VAL 28 HG22 VAL 28 -3.852 -9.900 3.481 873 3HG2 VAL 28 HG23 VAL 28 -4.165 -9.444 5.156 874 H THR 29 HN THR 29 -6.809 -11.939 2.070 875 HA THR 29 HA THR 29 -4.612 -13.768 1.583 876 HB THR 29 HB THR 29 -6.579 -13.189 -0.549 877 HG1 THR 29 HG1 THR 29 -7.371 -14.295 1.975 878 1HG2 THR 29 HG21 THR 29 -5.618 -15.666 0.873 879 2HG2 THR 29 HG22 THR 29 -5.162 -15.114 -0.740 880 3HG2 THR 29 HG23 THR 29 -6.800 -15.680 -0.434 881 HA PRO 30 HA PRO 30 -1.826 -11.057 -0.574 882 1HB PRO 30 HB2 PRO 30 -2.242 -12.988 -2.834 883 2HB PRO 30 HB1 PRO 30 -0.743 -12.251 -2.251 884 1HG PRO 30 HG2 PRO 30 -1.378 -14.728 -1.541 885 2HG PRO 30 HG1 PRO 30 -0.649 -13.612 -0.371 886 1HD PRO 30 HD2 PRO 30 -3.429 -14.607 -0.551 887 2HD PRO 30 HD1 PRO 30 -2.524 -14.053 0.866 888 H ASP 31 HN ASP 31 -4.406 -12.240 -2.791 889 HA ASP 31 HA ASP 31 -4.241 -9.931 -4.444 890 1HB ASP 31 HB2 ASP 31 -6.112 -10.816 -5.647 891 2HB ASP 31 HB1 ASP 31 -5.089 -12.173 -5.196 892 H LEU 32 HN LEU 32 -6.273 -10.850 -1.738 893 HA LEU 32 HA LEU 32 -8.052 -8.646 -1.849 894 1HB LEU 32 HB2 LEU 32 -8.581 -10.640 -0.577 895 2HB LEU 32 HB1 LEU 32 -7.178 -10.407 0.444 896 HG LEU 32 HG LEU 32 -8.205 -8.355 1.362 897 1HD1 LEU 32 HD11 LEU 32 -10.578 -9.159 -0.312 898 2HD1 LEU 32 HD12 LEU 32 -9.578 -7.725 -0.540 899 3HD1 LEU 32 HD13 LEU 32 -10.564 -7.891 0.913 900 1HD2 LEU 32 HD21 LEU 32 -9.926 -10.825 1.528 901 2HD2 LEU 32 HD22 LEU 32 -9.934 -9.485 2.674 902 3HD2 LEU 32 HD23 LEU 32 -8.493 -10.488 2.502 903 H ALA 33 HN ALA 33 -5.038 -9.238 -0.114 904 HA ALA 33 HA ALA 33 -4.914 -6.892 1.384 905 1HB ALA 33 HB1 ALA 33 -2.526 -7.315 1.560 906 2HB ALA 33 HB2 ALA 33 -2.617 -8.458 0.220 907 3HB ALA 33 HB3 ALA 33 -3.438 -8.813 1.740 908 H LEU 34 HN LEU 34 -3.464 -7.582 -1.802 909 HA LEU 34 HA LEU 34 -2.350 -5.020 -2.153 910 1HB LEU 34 HB2 LEU 34 -3.190 -7.038 -4.235 911 2HB LEU 34 HB1 LEU 34 -2.176 -5.640 -4.538 912 HG LEU 34 HG LEU 34 -1.482 -7.991 -2.778 913 1HD1 LEU 34 HD11 LEU 34 -0.382 -7.086 -5.433 914 2HD1 LEU 34 HD12 LEU 34 -1.375 -8.513 -5.147 915 3HD1 LEU 34 HD13 LEU 34 0.247 -8.414 -4.459 916 1HD2 LEU 34 HD21 LEU 34 0.709 -6.937 -2.547 917 2HD2 LEU 34 HD22 LEU 34 -0.564 -5.916 -1.876 918 3HD2 LEU 34 HD23 LEU 34 0.135 -5.536 -3.451 919 H MET 35 HN MET 35 -5.531 -6.305 -2.809 920 HA MET 35 HA MET 35 -6.435 -4.138 -4.419 921 1HB MET 35 HB2 MET 35 -7.573 -6.281 -4.468 922 2HB MET 35 HB1 MET 35 -7.968 -6.151 -2.760 923 1HG MET 35 HG2 MET 35 -9.475 -4.351 -3.173 924 2HG MET 35 HG1 MET 35 -8.954 -4.230 -4.853 925 1HE MET 35 HE1 MET 35 -9.411 -7.657 -3.039 926 2HE MET 35 HE2 MET 35 -11.128 -7.984 -3.276 927 3HE MET 35 HE3 MET 35 -10.621 -6.669 -2.216 928 H CYS 36 HN CYS 36 -6.851 -4.897 -0.962 929 HA CYS 36 HA CYS 36 -8.262 -2.522 -0.358 930 1HB CYS 36 HB2 CYS 36 -6.666 -4.362 1.432 931 2HB CYS 36 HB1 CYS 36 -7.715 -3.072 2.011 932 HG CYS 36 HG CYS 36 -10.033 -4.241 1.570 933 H LEU 37 HN LEU 37 -4.829 -3.391 0.001 934 HA LEU 37 HA LEU 37 -3.996 -0.970 1.158 935 1HB LEU 37 HB2 LEU 37 -2.490 -2.969 -0.525 936 2HB LEU 37 HB1 LEU 37 -1.725 -1.625 0.299 937 HG LEU 37 HG LEU 37 -3.293 -3.773 1.727 938 1HD1 LEU 37 HD11 LEU 37 -1.329 -4.727 0.582 939 2HD1 LEU 37 HD12 LEU 37 -1.173 -4.764 2.337 940 3HD1 LEU 37 HD13 LEU 37 -0.304 -3.549 1.401 941 1HD2 LEU 37 HD21 LEU 37 -1.347 -1.692 2.716 942 2HD2 LEU 37 HD22 LEU 37 -2.154 -2.912 3.702 943 3HD2 LEU 37 HD23 LEU 37 -3.099 -1.647 2.915 944 H GLY 38 HN GLY 38 -4.206 -1.984 -2.233 945 1HA GLY 38 HA2 GLY 38 -2.969 0.235 -3.401 946 2HA GLY 38 HA1 GLY 38 -4.177 -0.775 -4.182 947 H ASN 39 HN ASN 39 -6.378 -0.251 -2.530 948 HA ASN 39 HA ASN 39 -7.205 2.264 -3.604 949 1HB ASN 39 HB2 ASN 39 -8.508 0.236 -1.812 950 2HB ASN 39 HB1 ASN 39 -9.264 1.800 -2.085 951 1HD2 ASN 39 HD21 ASN 39 -8.389 -1.252 -3.490 952 2HD2 ASN 39 HD22 ASN 39 -9.317 -1.078 -4.946 953 H ALA 40 HN ALA 40 -6.147 1.136 -0.453 954 HA ALA 40 HA ALA 40 -6.822 3.424 1.044 955 1HB ALA 40 HB1 ALA 40 -4.534 1.504 1.488 956 2HB ALA 40 HB2 ALA 40 -6.183 1.292 2.076 957 3HB ALA 40 HB3 ALA 40 -5.196 2.623 2.679 958 H VAL 41 HN VAL 41 -3.826 2.532 -0.641 959 HA VAL 41 HA VAL 41 -2.350 4.839 -0.045 960 HB VAL 41 HB VAL 41 -2.198 3.179 -2.569 961 1HG1 VAL 41 HG11 VAL 41 -0.195 5.038 -1.302 962 2HG1 VAL 41 HG12 VAL 41 -1.050 5.290 -2.825 963 3HG1 VAL 41 HG13 VAL 41 0.124 3.981 -2.677 964 1HG2 VAL 41 HG21 VAL 41 -1.933 1.812 -0.562 965 2HG2 VAL 41 HG22 VAL 41 -0.666 2.897 0.009 966 3HG2 VAL 41 HG23 VAL 41 -0.419 1.947 -1.457 967 H THR 42 HN THR 42 -4.346 4.086 -2.881 968 HA THR 42 HA THR 42 -3.949 6.432 -4.312 969 HB THR 42 HB THR 42 -6.457 4.745 -4.230 970 HG1 THR 42 HG1 THR 42 -4.851 3.378 -4.822 971 1HG2 THR 42 HG21 THR 42 -5.398 6.581 -6.381 972 2HG2 THR 42 HG22 THR 42 -6.804 6.888 -5.361 973 3HG2 THR 42 HG23 THR 42 -6.824 5.552 -6.511 974 H ASN 43 HN ASN 43 -6.173 5.754 -1.670 975 HA ASN 43 HA ASN 43 -7.836 8.000 -2.004 976 1HB ASN 43 HB2 ASN 43 -8.539 6.108 -0.654 977 2HB ASN 43 HB1 ASN 43 -7.225 6.396 0.484 978 1HD2 ASN 43 HD21 ASN 43 -7.436 7.977 2.016 979 2HD2 ASN 43 HD22 ASN 43 -8.894 8.881 2.266 980 H ILE 44 HN ILE 44 -4.818 7.571 -0.174 981 HA ILE 44 HA ILE 44 -5.117 10.217 0.970 982 HB ILE 44 HB ILE 44 -4.075 8.303 2.247 983 1HG1 ILE 44 HG12 ILE 44 -2.328 10.762 1.999 984 2HG1 ILE 44 HG11 ILE 44 -3.884 10.749 2.822 985 1HG2 ILE 44 HG21 ILE 44 -2.640 7.406 0.495 986 2HG2 ILE 44 HG22 ILE 44 -1.682 7.875 1.902 987 3HG2 ILE 44 HG23 ILE 44 -1.712 8.903 0.470 988 1HD1 ILE 44 HD11 ILE 44 -2.053 10.568 4.395 989 2HD1 ILE 44 HD12 ILE 44 -1.472 9.116 3.575 990 3HD1 ILE 44 HD13 ILE 44 -3.031 9.101 4.400 991 H ILE 45 HN ILE 45 -3.580 8.778 -1.771 992 HA ILE 45 HA ILE 45 -1.786 10.935 -2.312 993 HB ILE 45 HB ILE 45 -2.962 8.882 -4.201 994 1HG1 ILE 45 HG12 ILE 45 -0.299 8.985 -2.768 995 2HG1 ILE 45 HG11 ILE 45 -1.625 7.885 -2.406 996 1HG2 ILE 45 HG21 ILE 45 -1.146 9.464 -5.713 997 2HG2 ILE 45 HG22 ILE 45 -0.597 10.711 -4.592 998 3HG2 ILE 45 HG23 ILE 45 -2.163 10.870 -5.387 999 1HD1 ILE 45 HD11 ILE 45 -0.044 7.968 -4.968 1000 2HD1 ILE 45 HD12 ILE 45 -1.375 6.865 -4.612 1001 3HD1 ILE 45 HD13 ILE 45 0.118 6.776 -3.678 1002 H ALA 46 HN ALA 46 -5.151 10.304 -2.908 1003 HA ALA 46 HA ALA 46 -5.613 12.342 -4.829 1004 1HB ALA 46 HB1 ALA 46 -7.183 10.507 -4.467 1005 2HB ALA 46 HB2 ALA 46 -7.974 12.070 -4.263 1006 3HB ALA 46 HB3 ALA 46 -7.529 11.115 -2.848 1007 H GLN 47 HN GLN 47 -4.994 12.407 -1.477 1008 HA GLN 47 HA GLN 47 -6.269 14.946 -0.951 1009 1HB GLN 47 HB2 GLN 47 -4.270 13.396 0.706 1010 2HB GLN 47 HB1 GLN 47 -5.235 14.757 1.259 1011 1HG GLN 47 HG2 GLN 47 -7.262 13.480 1.000 1012 2HG GLN 47 HG1 GLN 47 -6.359 12.132 0.312 1013 1HE2 GLN 47 HE21 GLN 47 -7.072 10.725 1.889 1014 2HE2 GLN 47 HE22 GLN 47 -6.494 10.784 3.519 1015 H VAL 48 HN VAL 48 -3.472 13.930 -2.447 1016 HA VAL 48 HA VAL 48 -1.861 16.252 -1.714 1017 HB VAL 48 HB VAL 48 -1.219 13.981 -3.613 1018 1HG1 VAL 48 HG11 VAL 48 1.113 14.685 -3.320 1019 2HG1 VAL 48 HG12 VAL 48 0.568 16.045 -2.338 1020 3HG1 VAL 48 HG13 VAL 48 0.123 15.955 -4.043 1021 1HG2 VAL 48 HG21 VAL 48 -1.583 13.125 -1.370 1022 2HG2 VAL 48 HG22 VAL 48 -0.465 14.321 -0.714 1023 3HG2 VAL 48 HG23 VAL 48 0.130 13.055 -1.788 1024 HA PRO 49 HA PRO 49 -3.383 18.699 -5.158 1025 1HB PRO 49 HB2 PRO 49 -0.590 19.744 -5.021 1026 2HB PRO 49 HB1 PRO 49 -2.120 20.628 -5.086 1027 1HG PRO 49 HG2 PRO 49 -0.795 20.417 -2.797 1028 2HG PRO 49 HG1 PRO 49 -2.565 20.286 -2.830 1029 1HD PRO 49 HD2 PRO 49 -0.507 18.140 -2.535 1030 2HD PRO 49 HD1 PRO 49 -2.112 18.277 -1.787 1031 H GLU 50 HN GLU 50 -3.166 18.732 -7.382 1032 HA GLU 50 HA GLU 50 -2.081 16.443 -8.563 1033 1HB GLU 50 HB2 GLU 50 -3.001 19.038 -9.794 1034 2HB GLU 50 HB1 GLU 50 -2.548 17.626 -10.738 1035 1HG GLU 50 HG2 GLU 50 -4.319 16.336 -9.648 1036 2HG GLU 50 HG1 GLU 50 -4.777 17.761 -8.717 1037 H SER 51 HN SER 51 -0.645 19.536 -7.977 1038 HA SER 51 HA SER 51 1.351 19.689 -9.863 1039 1HB SER 51 HB2 SER 51 1.593 20.423 -6.935 1040 2HB SER 51 HB1 SER 51 2.564 21.068 -8.259 1041 HG SER 51 HG SER 51 1.064 22.548 -8.277 1042 H LYS 52 HN LYS 52 1.355 17.814 -6.843 1043 HA LYS 52 HA LYS 52 3.807 16.493 -7.803 1044 1HB LYS 52 HB2 LYS 52 4.412 16.144 -5.398 1045 2HB LYS 52 HB1 LYS 52 4.432 17.823 -5.913 1046 1HG LYS 52 HG2 LYS 52 2.327 18.237 -4.838 1047 2HG LYS 52 HG1 LYS 52 2.157 16.528 -4.435 1048 1HD LYS 52 HD2 LYS 52 2.901 17.814 -2.498 1049 2HD LYS 52 HD1 LYS 52 4.140 16.667 -3.007 1050 1HE LYS 52 HE2 LYS 52 5.405 18.412 -4.062 1051 2HE LYS 52 HE1 LYS 52 4.115 19.582 -3.783 1052 1HZ LYS 52 HZ1 LYS 52 4.471 19.340 -1.397 1053 2HZ LYS 52 HZ2 LYS 52 5.891 19.844 -2.171 1054 3HZ LYS 52 HZ3 LYS 52 5.724 18.233 -1.675 1055 H ARG 53 HN ARG 53 0.682 15.986 -7.610 1056 HA ARG 53 HA ARG 53 0.390 13.638 -6.058 1057 1HB ARG 53 HB2 ARG 53 -1.510 15.055 -6.803 1058 2HB ARG 53 HB1 ARG 53 -1.236 14.522 -8.457 1059 1HG ARG 53 HG2 ARG 53 -1.722 12.217 -7.789 1060 2HG ARG 53 HG1 ARG 53 -2.026 12.767 -6.140 1061 1HD ARG 53 HD2 ARG 53 -3.548 13.649 -8.592 1062 2HD ARG 53 HD1 ARG 53 -4.109 12.462 -7.414 1063 HE ARG 53 HE ARG 53 -3.541 14.743 -5.971 1064 1HH1 ARG 53 HH11 ARG 53 -5.760 13.825 -8.524 1065 2HH1 ARG 53 HH12 ARG 53 -6.914 15.060 -8.135 1066 1HH2 ARG 53 HH21 ARG 53 -5.069 16.380 -5.474 1067 2HH2 ARG 53 HH22 ARG 53 -6.520 16.509 -6.427 1068 H VAL 54 HN VAL 54 1.276 14.210 -9.413 1069 HA VAL 54 HA VAL 54 1.267 11.461 -10.181 1070 HB VAL 54 HB VAL 54 2.755 13.759 -11.477 1071 1HG1 VAL 54 HG11 VAL 54 2.656 12.388 -13.501 1072 2HG1 VAL 54 HG12 VAL 54 1.875 11.096 -12.590 1073 3HG1 VAL 54 HG13 VAL 54 3.532 11.566 -12.209 1074 1HG2 VAL 54 HG21 VAL 54 0.377 14.267 -11.294 1075 2HG2 VAL 54 HG22 VAL 54 -0.022 12.717 -12.036 1076 3HG2 VAL 54 HG23 VAL 54 0.827 13.951 -12.970 1077 H ALA 55 HN ALA 55 3.589 13.657 -8.783 1078 HA ALA 55 HA ALA 55 5.905 12.093 -9.284 1079 1HB ALA 55 HB1 ALA 55 5.470 14.206 -7.177 1080 2HB ALA 55 HB2 ALA 55 5.987 14.510 -8.834 1081 3HB ALA 55 HB3 ALA 55 7.025 13.592 -7.743 1082 H VAL 56 HN VAL 56 3.787 12.472 -6.447 1083 HA VAL 56 HA VAL 56 5.364 10.859 -4.751 1084 HB VAL 56 HB VAL 56 3.373 10.751 -3.266 1085 1HG1 VAL 56 HG11 VAL 56 4.939 12.613 -3.123 1086 2HG1 VAL 56 HG12 VAL 56 3.294 13.149 -2.783 1087 3HG1 VAL 56 HG13 VAL 56 4.026 13.489 -4.352 1088 1HG2 VAL 56 HG21 VAL 56 1.369 12.026 -3.840 1089 2HG2 VAL 56 HG22 VAL 56 1.625 10.691 -4.967 1090 3HG2 VAL 56 HG23 VAL 56 2.027 12.340 -5.445 1091 H VAL 57 HN VAL 57 2.637 10.047 -6.885 1092 HA VAL 57 HA VAL 57 2.461 7.368 -5.899 1093 HB VAL 57 HB VAL 57 0.509 8.394 -6.948 1094 1HG1 VAL 57 HG11 VAL 57 2.099 8.312 -9.509 1095 2HG1 VAL 57 HG12 VAL 57 1.610 9.761 -8.631 1096 3HG1 VAL 57 HG13 VAL 57 0.390 8.725 -9.372 1097 1HG2 VAL 57 HG21 VAL 57 1.528 6.017 -8.498 1098 2HG2 VAL 57 HG22 VAL 57 -0.154 6.537 -8.395 1099 3HG2 VAL 57 HG23 VAL 57 0.682 5.969 -6.951 1100 H ASP 58 HN ASP 58 4.227 8.948 -8.484 1101 HA ASP 58 HA ASP 58 5.045 6.605 -9.850 1102 1HB ASP 58 HB2 ASP 58 5.201 9.078 -10.608 1103 2HB ASP 58 HB1 ASP 58 6.714 9.092 -9.709 1104 H ASN 59 HN ASN 59 6.659 8.648 -7.444 1105 HA ASN 59 HA ASN 59 8.947 7.032 -7.136 1106 1HB ASN 59 HB2 ASN 59 7.649 9.112 -5.393 1107 2HB ASN 59 HB1 ASN 59 9.057 8.212 -4.833 1108 1HD2 ASN 59 HD21 ASN 59 7.860 10.514 -7.166 1109 2HD2 ASN 59 HD22 ASN 59 9.411 11.093 -7.682 1110 H PHE 60 HN PHE 60 5.778 6.952 -5.649 1111 HA PHE 60 HA PHE 60 6.255 5.034 -3.666 1112 1HB PHE 60 HB2 PHE 60 4.124 6.351 -3.990 1113 2HB PHE 60 HB1 PHE 60 3.746 5.282 -5.338 1114 HD1 PHE 60 HD1 PHE 60 4.319 5.372 -1.686 1115 HD2 PHE 60 HD2 PHE 60 2.760 3.196 -4.988 1116 HE1 PHE 60 HE1 PHE 60 3.248 3.792 -0.135 1117 HE2 PHE 60 HE2 PHE 60 1.689 1.609 -3.445 1118 HZ PHE 60 HZ PHE 60 1.930 1.906 -1.014 1119 H THR 61 HN THR 61 5.035 4.604 -6.984 1120 HA THR 61 HA THR 61 5.081 1.795 -6.905 1121 HB THR 61 HB THR 61 4.974 1.980 -9.430 1122 HG1 THR 61 HG1 THR 61 5.877 4.401 -8.988 1123 1HG2 THR 61 HG21 THR 61 2.957 1.789 -8.123 1124 2HG2 THR 61 HG22 THR 61 2.705 2.979 -9.401 1125 3HG2 THR 61 HG23 THR 61 2.996 3.513 -7.745 1126 H LYS 62 HN LYS 62 7.506 4.168 -7.819 1127 HA LYS 62 HA LYS 62 9.354 2.371 -8.991 1128 1HB LYS 62 HB2 LYS 62 9.522 4.762 -9.338 1129 2HB LYS 62 HB1 LYS 62 9.763 5.032 -7.619 1130 1HG LYS 62 HG2 LYS 62 11.893 3.824 -7.739 1131 2HG LYS 62 HG1 LYS 62 11.652 3.597 -9.474 1132 1HD LYS 62 HD2 LYS 62 11.660 6.004 -9.809 1133 2HD LYS 62 HD1 LYS 62 11.818 6.265 -8.073 1134 1HE LYS 62 HE2 LYS 62 13.961 6.532 -9.202 1135 2HE LYS 62 HE1 LYS 62 13.992 5.159 -8.096 1136 1HZ LYS 62 HZ1 LYS 62 13.940 3.649 -9.849 1137 2HZ LYS 62 HZ2 LYS 62 14.992 4.862 -10.405 1138 3HZ LYS 62 HZ3 LYS 62 13.398 4.802 -10.968 1139 H ALA 63 HN ALA 63 9.273 3.789 -5.711 1140 HA ALA 63 HA ALA 63 11.533 2.365 -4.793 1141 1HB ALA 63 HB1 ALA 63 9.324 3.641 -3.184 1142 2HB ALA 63 HB2 ALA 63 10.783 4.446 -3.762 1143 3HB ALA 63 HB3 ALA 63 10.903 3.150 -2.571 1144 H LEU 64 HN LEU 64 8.067 1.709 -4.574 1145 HA LEU 64 HA LEU 64 8.242 -0.470 -2.788 1146 1HB LEU 64 HB2 LEU 64 6.192 0.899 -3.512 1147 2HB LEU 64 HB1 LEU 64 6.138 -0.144 -4.917 1148 HG LEU 64 HG LEU 64 6.077 -1.321 -2.154 1149 1HD1 LEU 64 HD11 LEU 64 3.719 -0.290 -3.732 1150 2HD1 LEU 64 HD12 LEU 64 4.322 0.372 -2.212 1151 3HD1 LEU 64 HD13 LEU 64 3.633 -1.252 -2.255 1152 1HD2 LEU 64 HD21 LEU 64 4.816 -3.083 -3.306 1153 2HD2 LEU 64 HD22 LEU 64 6.414 -2.845 -4.018 1154 3HD2 LEU 64 HD23 LEU 64 4.983 -2.199 -4.823 1155 H LYS 65 HN LYS 65 8.178 -0.288 -6.323 1156 HA LYS 65 HA LYS 65 8.243 -3.036 -6.870 1157 1HB LYS 65 HB2 LYS 65 8.389 -0.612 -8.326 1158 2HB LYS 65 HB1 LYS 65 9.789 -1.564 -8.797 1159 1HG LYS 65 HG2 LYS 65 8.435 -3.348 -9.563 1160 2HG LYS 65 HG1 LYS 65 6.988 -2.657 -8.823 1161 1HD LYS 65 HD2 LYS 65 7.065 -0.776 -10.358 1162 2HD LYS 65 HD1 LYS 65 8.566 -1.380 -11.059 1163 1HE LYS 65 HE2 LYS 65 6.000 -2.953 -11.071 1164 2HE LYS 65 HE1 LYS 65 6.452 -1.848 -12.367 1165 1HZ LYS 65 HZ1 LYS 65 8.052 -4.192 -11.488 1166 2HZ LYS 65 HZ2 LYS 65 8.433 -3.152 -12.760 1167 3HZ LYS 65 HZ3 LYS 65 7.064 -4.141 -12.865 1168 H GLN 66 HN GLN 66 10.860 -0.689 -6.445 1169 HA GLN 66 HA GLN 66 12.994 -2.470 -6.937 1170 1HB GLN 66 HB2 GLN 66 13.208 -0.029 -7.051 1171 2HB GLN 66 HB1 GLN 66 12.930 0.086 -5.321 1172 1HG GLN 66 HG2 GLN 66 15.277 0.333 -5.829 1173 2HG GLN 66 HG1 GLN 66 14.998 -1.142 -4.906 1174 1HE2 GLN 66 HE21 GLN 66 14.231 -0.891 -8.300 1175 2HE2 GLN 66 HE22 GLN 66 15.488 -1.948 -8.858 1176 H SER 67 HN SER 67 11.283 -1.562 -3.993 1177 HA SER 67 HA SER 67 13.139 -2.770 -2.216 1178 1HB SER 67 HB2 SER 67 11.422 -0.941 -1.690 1179 2HB SER 67 HB1 SER 67 10.236 -2.242 -1.591 1180 HG SER 67 HG SER 67 12.333 -1.594 0.120 1181 H VAL 68 HN VAL 68 10.167 -3.880 -3.780 1182 HA VAL 68 HA VAL 68 9.961 -6.338 -2.400 1183 HB VAL 68 HB VAL 68 9.010 -5.577 -5.169 1184 1HG1 VAL 68 HG11 VAL 68 8.360 -8.041 -3.550 1185 2HG1 VAL 68 HG12 VAL 68 9.293 -7.997 -5.046 1186 3HG1 VAL 68 HG13 VAL 68 7.581 -7.570 -5.060 1187 1HG2 VAL 68 HG21 VAL 68 7.962 -4.327 -3.364 1188 2HG2 VAL 68 HG22 VAL 68 7.564 -5.831 -2.531 1189 3HG2 VAL 68 HG23 VAL 68 6.812 -5.454 -4.082 1190 H LEU 69 HN LEU 69 11.605 -5.412 -5.397 1191 HA LEU 69 HA LEU 69 12.524 -7.930 -6.168 1192 1HB LEU 69 HB2 LEU 69 13.863 -5.246 -6.532 1193 2HB LEU 69 HB1 LEU 69 14.289 -6.709 -7.396 1194 HG LEU 69 HG LEU 69 11.626 -5.297 -7.577 1195 1HD1 LEU 69 HD11 LEU 69 13.419 -3.999 -8.596 1196 2HD1 LEU 69 HD12 LEU 69 12.347 -4.670 -9.824 1197 3HD1 LEU 69 HD13 LEU 69 13.922 -5.408 -9.530 1198 1HD2 LEU 69 HD21 LEU 69 12.733 -7.643 -9.116 1199 2HD2 LEU 69 HD22 LEU 69 11.212 -6.819 -9.455 1200 3HD2 LEU 69 HD23 LEU 69 11.422 -7.694 -7.939 1201 H GLU 70 HN GLU 70 14.208 -5.443 -4.246 1202 HA GLU 70 HA GLU 70 16.158 -7.478 -3.460 1203 1HB GLU 70 HB2 GLU 70 16.931 -5.249 -4.309 1204 2HB GLU 70 HB1 GLU 70 16.228 -4.520 -2.871 1205 1HG GLU 70 HG2 GLU 70 17.710 -5.938 -1.488 1206 2HG GLU 70 HG1 GLU 70 18.469 -6.525 -2.968 1207 H HIS 71 HN HIS 71 14.555 -8.555 -2.140 1208 HA HIS 71 HA HIS 71 14.580 -7.435 0.565 1209 1HB HIS 71 HB2 HIS 71 12.293 -7.223 -0.770 1210 2HB HIS 71 HB1 HIS 71 12.132 -8.917 -0.320 1211 HD1 HIS 71 HD1 HIS 71 12.338 -5.470 1.187 1212 HD2 HIS 71 HD2 HIS 71 11.476 -9.377 2.339 1213 HE1 HIS 71 HE1 HIS 71 11.370 -5.301 3.503 1214 HE2 HIS 71 HE2 HIS 71 11.047 -7.682 4.255 1215 H HIS 72 HN HIS 72 14.832 -8.984 2.170 1216 HA HIS 72 HA HIS 72 15.933 -11.473 1.145 1217 1HB HIS 72 HB2 HIS 72 17.224 -10.069 2.730 1218 2HB HIS 72 HB1 HIS 72 15.983 -10.336 3.947 1219 HD1 HIS 72 HD1 HIS 72 16.421 -12.223 5.486 1220 HD2 HIS 72 HD2 HIS 72 18.464 -12.634 1.892 1221 HE1 HIS 72 HE1 HIS 72 17.840 -14.277 5.748 1222 HE2 HIS 72 HE2 HIS 72 19.251 -14.354 3.658 1223 H HIS 73 HN HIS 73 14.687 -13.207 1.001 1224 HA HIS 73 HA HIS 73 13.264 -14.151 3.301 1225 1HB HIS 73 HB2 HIS 73 11.580 -12.597 2.303 1226 2HB HIS 73 HB1 HIS 73 11.633 -13.545 0.820 1227 HD1 HIS 73 HD1 HIS 73 10.456 -13.702 4.384 1228 HD2 HIS 73 HD2 HIS 73 10.189 -15.924 0.875 1229 HE1 HIS 73 HE1 HIS 73 8.714 -15.469 4.825 1230 HE2 HIS 73 HE2 HIS 73 8.739 -16.931 2.772 1231 H HIS 74 HN HIS 74 14.353 -16.031 3.238 1232 HA HIS 74 HA HIS 74 14.266 -17.619 0.766 1233 1HB HIS 74 HB2 HIS 74 15.917 -17.832 3.280 1234 2HB HIS 74 HB1 HIS 74 15.817 -19.156 2.125 1235 HD1 HIS 74 HD1 HIS 74 18.070 -16.668 2.955 1236 HD2 HIS 74 HD2 HIS 74 16.372 -17.839 -0.658 1237 HE1 HIS 74 HE1 HIS 74 19.616 -15.805 1.164 1238 HE2 HIS 74 HE2 HIS 74 18.504 -16.418 -1.015 1239 H HIS 75 HN HIS 75 14.358 -20.171 1.742 1240 HA HIS 75 HA HIS 75 11.610 -20.505 2.613 1241 1HB HIS 75 HB2 HIS 75 13.718 -22.437 1.662 1242 2HB HIS 75 HB1 HIS 75 12.182 -22.982 2.328 1243 HD1 HIS 75 HD1 HIS 75 10.005 -22.007 1.001 1244 HD2 HIS 75 HD2 HIS 75 13.653 -21.934 -0.995 1245 HE1 HIS 75 HE1 HIS 75 9.439 -21.766 -1.445 1246 HE2 HIS 75 HE2 HIS 75 11.659 -21.906 -2.640 1247 H HIS 76 HN HIS 76 11.406 -20.087 4.731 1248 HA HIS 76 HA HIS 76 12.826 -21.931 6.521 1249 1HB HIS 76 HB2 HIS 76 13.720 -19.545 6.651 1250 2HB HIS 76 HB1 HIS 76 12.151 -19.090 7.303 1251 HD1 HIS 76 HD1 HIS 76 11.678 -19.674 9.758 1252 HD2 HIS 76 HD2 HIS 76 15.302 -21.160 8.352 1253 HE1 HIS 76 HE1 HIS 76 12.922 -20.479 11.793 1254 HE2 HIS 76 HE2 HIS 76 15.042 -21.514 10.901 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -20.189 -18.119 -12.008 2 2H MET 1 HT2 MET 1 -20.242 -17.648 -13.635 3 3H MET 1 HT3 MET 1 -19.857 -16.511 -12.433 4 HA MET 1 HA MET 1 -18.236 -18.889 -13.125 5 1HB MET 1 HB2 MET 1 -18.190 -17.226 -14.916 6 2HB MET 1 HB1 MET 1 -17.813 -15.960 -13.755 7 1HG MET 1 HG2 MET 1 -15.684 -17.060 -13.258 8 2HG MET 1 HG1 MET 1 -16.064 -18.315 -14.435 9 1HE MET 1 HE1 MET 1 -16.282 -17.885 -17.035 10 2HE MET 1 HE2 MET 1 -16.043 -16.315 -17.802 11 3HE MET 1 HE3 MET 1 -17.449 -16.589 -16.774 12 HA PRO 2 HA PRO 2 -16.836 -18.226 -8.928 13 1HB PRO 2 HB2 PRO 2 -14.691 -20.072 -9.801 14 2HB PRO 2 HB1 PRO 2 -15.806 -20.206 -8.436 15 1HG PRO 2 HG2 PRO 2 -16.092 -21.742 -10.602 16 2HG PRO 2 HG1 PRO 2 -17.502 -21.101 -9.737 17 1HD PRO 2 HD2 PRO 2 -16.255 -20.157 -12.292 18 2HD PRO 2 HD1 PRO 2 -17.974 -20.299 -11.862 19 H ILE 3 HN ILE 3 -15.524 -16.728 -8.158 20 HA ILE 3 HA ILE 3 -13.104 -16.007 -9.649 21 HB ILE 3 HB ILE 3 -14.948 -14.390 -10.122 22 1HG1 ILE 3 HG12 ILE 3 -12.667 -13.223 -8.510 23 2HG1 ILE 3 HG11 ILE 3 -12.582 -13.678 -10.207 24 1HG2 ILE 3 HG21 ILE 3 -15.675 -12.859 -8.345 25 2HG2 ILE 3 HG22 ILE 3 -14.770 -13.815 -7.172 26 3HG2 ILE 3 HG23 ILE 3 -16.138 -14.530 -8.024 27 1HD1 ILE 3 HD11 ILE 3 -14.330 -11.525 -9.042 28 2HD1 ILE 3 HD12 ILE 3 -14.249 -11.980 -10.744 29 3HD1 ILE 3 HD13 ILE 3 -12.838 -11.281 -9.948 30 H VAL 4 HN VAL 4 -11.613 -14.651 -8.215 31 HA VAL 4 HA VAL 4 -11.059 -16.111 -5.855 32 HB VAL 4 HB VAL 4 -9.921 -13.411 -6.610 33 1HG1 VAL 4 HG11 VAL 4 -7.960 -14.143 -5.355 34 2HG1 VAL 4 HG12 VAL 4 -8.763 -15.664 -4.968 35 3HG1 VAL 4 HG13 VAL 4 -9.398 -14.146 -4.333 36 1HG2 VAL 4 HG21 VAL 4 -8.152 -14.644 -7.772 37 2HG2 VAL 4 HG22 VAL 4 -9.732 -14.936 -8.499 38 3HG2 VAL 4 HG23 VAL 4 -9.002 -16.156 -7.456 39 H SER 5 HN SER 5 -13.089 -13.425 -6.448 40 HA SER 5 HA SER 5 -12.904 -12.210 -3.877 41 1HB SER 5 HB2 SER 5 -15.117 -11.916 -5.914 42 2HB SER 5 HB1 SER 5 -14.706 -10.794 -4.614 43 HG SER 5 HG SER 5 -12.601 -10.609 -5.684 44 H LYS 6 HN LYS 6 -13.167 -14.174 -2.617 45 HA LYS 6 HA LYS 6 -15.909 -15.088 -2.258 46 1HB LYS 6 HB2 LYS 6 -14.067 -16.694 -2.031 47 2HB LYS 6 HB1 LYS 6 -13.358 -15.723 -0.752 48 1HG LYS 6 HG2 LYS 6 -15.306 -16.166 0.662 49 2HG LYS 6 HG1 LYS 6 -16.008 -17.150 -0.625 50 1HD LYS 6 HD2 LYS 6 -14.112 -18.675 -0.509 51 2HD LYS 6 HD1 LYS 6 -13.371 -17.681 0.744 52 1HE LYS 6 HE2 LYS 6 -14.455 -19.613 1.732 53 2HE LYS 6 HE1 LYS 6 -15.283 -18.135 2.217 54 1HZ LYS 6 HZ1 LYS 6 -16.726 -20.064 1.519 55 2HZ LYS 6 HZ2 LYS 6 -16.205 -19.775 -0.070 56 3HZ LYS 6 HZ3 LYS 6 -17.055 -18.576 0.776 57 H TYR 7 HN TYR 7 -13.688 -12.805 -1.048 58 HA TYR 7 HA TYR 7 -14.942 -12.276 1.459 59 1HB TYR 7 HB2 TYR 7 -13.521 -10.064 1.090 60 2HB TYR 7 HB1 TYR 7 -12.750 -11.590 1.510 61 HD1 TYR 7 HD2 TYR 7 -13.620 -9.433 -1.404 62 HD2 TYR 7 HD1 TYR 7 -11.114 -12.513 0.125 63 HE1 TYR 7 HE2 TYR 7 -12.244 -9.320 -3.441 64 HE2 TYR 7 HE1 TYR 7 -9.736 -12.413 -1.905 65 HH TYR 7 HH TYR 7 -10.235 -9.939 -4.356 66 H SER 8 HN SER 8 -16.301 -10.611 2.013 67 HA SER 8 HA SER 8 -18.115 -9.752 -0.023 68 1HB SER 8 HB2 SER 8 -19.141 -8.514 1.991 69 2HB SER 8 HB1 SER 8 -19.109 -10.276 2.050 70 HG SER 8 HG SER 8 -18.265 -9.776 3.961 71 H ASN 9 HN ASN 9 -18.619 -7.594 -0.588 72 HA ASN 9 HA ASN 9 -16.389 -5.928 -1.010 73 1HB ASN 9 HB2 ASN 9 -17.939 -4.303 -1.926 74 2HB ASN 9 HB1 ASN 9 -18.407 -5.912 -2.457 75 1HD2 ASN 9 HD21 ASN 9 -19.293 -3.130 -0.631 76 2HD2 ASN 9 HD22 ASN 9 -20.903 -3.640 -0.239 77 H GLU 10 HN GLU 10 -18.823 -5.994 1.521 78 HA GLU 10 HA GLU 10 -18.243 -3.537 2.742 79 1HB GLU 10 HB2 GLU 10 -19.326 -6.135 3.789 80 2HB GLU 10 HB1 GLU 10 -18.984 -4.802 4.883 81 1HG GLU 10 HG2 GLU 10 -20.900 -4.796 2.567 82 2HG GLU 10 HG1 GLU 10 -21.300 -4.767 4.286 83 H ARG 11 HN ARG 11 -16.822 -6.745 3.208 84 HA ARG 11 HA ARG 11 -15.112 -6.032 5.321 85 1HB ARG 11 HB2 ARG 11 -15.678 -8.370 4.646 86 2HB ARG 11 HB1 ARG 11 -14.640 -8.174 3.242 87 1HG ARG 11 HG2 ARG 11 -12.697 -7.959 4.615 88 2HG ARG 11 HG1 ARG 11 -13.682 -7.886 6.080 89 1HD ARG 11 HD2 ARG 11 -14.499 -10.176 5.584 90 2HD ARG 11 HD1 ARG 11 -13.385 -10.240 4.220 91 HE ARG 11 HE ARG 11 -11.595 -10.428 5.703 92 1HH1 ARG 11 HH11 ARG 11 -14.588 -9.921 7.454 93 2HH1 ARG 11 HH12 ARG 11 -13.974 -10.549 8.945 94 1HH2 ARG 11 HH21 ARG 11 -10.783 -11.260 7.666 95 2HH2 ARG 11 HH22 ARG 11 -11.800 -11.293 9.077 96 H VAL 12 HN VAL 12 -14.611 -6.122 1.809 97 HA VAL 12 HA VAL 12 -11.922 -5.420 1.738 98 HB VAL 12 HB VAL 12 -14.061 -4.597 -0.235 99 1HG1 VAL 12 HG11 VAL 12 -11.071 -4.810 -0.574 100 2HG1 VAL 12 HG12 VAL 12 -12.010 -3.318 -0.521 101 3HG1 VAL 12 HG13 VAL 12 -12.231 -4.452 -1.854 102 1HG2 VAL 12 HG21 VAL 12 -13.406 -6.599 -1.476 103 2HG2 VAL 12 HG22 VAL 12 -14.016 -7.007 0.127 104 3HG2 VAL 12 HG23 VAL 12 -12.282 -7.033 -0.188 105 H GLU 13 HN GLU 13 -14.765 -3.278 1.670 106 HA GLU 13 HA GLU 13 -13.372 -0.841 1.564 107 1HB GLU 13 HB2 GLU 13 -16.076 -1.456 2.769 108 2HB GLU 13 HB1 GLU 13 -15.472 0.159 2.432 109 1HG GLU 13 HG2 GLU 13 -15.946 -1.980 0.370 110 2HG GLU 13 HG1 GLU 13 -17.051 -0.658 0.742 111 H LYS 14 HN LYS 14 -14.348 -2.862 4.270 112 HA LYS 14 HA LYS 14 -13.644 -0.853 6.205 113 1HB LYS 14 HB2 LYS 14 -14.723 -3.641 6.381 114 2HB LYS 14 HB1 LYS 14 -14.146 -2.805 7.820 115 1HG LYS 14 HG2 LYS 14 -15.748 -1.095 7.597 116 2HG LYS 14 HG1 LYS 14 -16.157 -1.590 5.957 117 1HD LYS 14 HD2 LYS 14 -17.195 -3.604 6.773 118 2HD LYS 14 HD1 LYS 14 -16.663 -3.254 8.421 119 1HE LYS 14 HE2 LYS 14 -19.052 -2.686 7.969 120 2HE LYS 14 HE1 LYS 14 -18.079 -1.336 8.550 121 1HZ LYS 14 HZ1 LYS 14 -18.891 -1.848 5.731 122 2HZ LYS 14 HZ2 LYS 14 -17.857 -0.594 6.227 123 3HZ LYS 14 HZ3 LYS 14 -19.469 -0.619 6.748 124 H ILE 15 HN ILE 15 -12.039 -3.523 4.689 125 HA ILE 15 HA ILE 15 -9.856 -3.703 6.490 126 HB ILE 15 HB ILE 15 -9.904 -4.136 3.490 127 1HG1 ILE 15 HG12 ILE 15 -9.905 -6.200 5.694 128 2HG1 ILE 15 HG11 ILE 15 -11.377 -5.611 4.930 129 1HG2 ILE 15 HG21 ILE 15 -7.642 -3.691 4.288 130 2HG2 ILE 15 HG22 ILE 15 -7.819 -5.379 3.812 131 3HG2 ILE 15 HG23 ILE 15 -7.821 -4.941 5.520 132 1HD1 ILE 15 HD11 ILE 15 -10.662 -6.476 2.800 133 2HD1 ILE 15 HD12 ILE 15 -10.593 -7.755 4.013 134 3HD1 ILE 15 HD13 ILE 15 -9.112 -6.958 3.483 135 H ILE 16 HN ILE 16 -10.436 -1.787 3.566 136 HA ILE 16 HA ILE 16 -8.100 -0.233 3.634 137 HB ILE 16 HB ILE 16 -10.828 0.595 2.622 138 1HG1 ILE 16 HG12 ILE 16 -8.563 -0.732 1.115 139 2HG1 ILE 16 HG11 ILE 16 -10.012 -1.562 1.671 140 1HG2 ILE 16 HG21 ILE 16 -8.069 1.605 1.941 141 2HG2 ILE 16 HG22 ILE 16 -9.318 2.475 2.833 142 3HG2 ILE 16 HG23 ILE 16 -9.559 2.085 1.129 143 1HD1 ILE 16 HD11 ILE 16 -9.920 0.695 -0.317 144 2HD1 ILE 16 HD12 ILE 16 -11.377 -0.130 0.240 145 3HD1 ILE 16 HD13 ILE 16 -10.161 -1.013 -0.684 146 H GLN 17 HN GLN 17 -11.322 0.307 5.000 147 HA GLN 17 HA GLN 17 -10.869 2.826 6.127 148 1HB GLN 17 HB2 GLN 17 -13.110 2.076 5.975 149 2HB GLN 17 HB1 GLN 17 -12.757 0.591 6.847 150 1HG GLN 17 HG2 GLN 17 -14.032 2.165 8.199 151 2HG GLN 17 HG1 GLN 17 -12.452 1.829 8.904 152 1HE2 GLN 17 HE21 GLN 17 -12.338 3.684 10.075 153 2HE2 GLN 17 HE22 GLN 17 -12.154 5.252 9.374 154 H ASP 18 HN ASP 18 -10.457 -0.412 7.565 155 HA ASP 18 HA ASP 18 -9.780 0.451 10.148 156 1HB ASP 18 HB2 ASP 18 -10.330 -1.932 9.251 157 2HB ASP 18 HB1 ASP 18 -8.604 -2.030 8.921 158 H LEU 19 HN LEU 19 -7.765 -0.271 7.327 159 HA LEU 19 HA LEU 19 -5.261 0.286 8.472 160 1HB LEU 19 HB2 LEU 19 -6.201 0.620 5.621 161 2HB LEU 19 HB1 LEU 19 -4.526 0.693 6.129 162 HG LEU 19 HG LEU 19 -6.278 -1.739 6.477 163 1HD1 LEU 19 HD11 LEU 19 -5.060 -2.675 4.576 164 2HD1 LEU 19 HD12 LEU 19 -4.241 -1.131 4.337 165 3HD1 LEU 19 HD13 LEU 19 -5.986 -1.247 4.109 166 1HD2 LEU 19 HD21 LEU 19 -4.121 -2.876 6.818 167 2HD2 LEU 19 HD22 LEU 19 -4.439 -1.647 8.043 168 3HD2 LEU 19 HD23 LEU 19 -3.304 -1.313 6.735 169 H LEU 20 HN LEU 20 -7.514 2.378 6.691 170 HA LEU 20 HA LEU 20 -5.937 4.708 6.758 171 1HB LEU 20 HB2 LEU 20 -8.911 4.303 6.522 172 2HB LEU 20 HB1 LEU 20 -8.163 5.883 6.420 173 HG LEU 20 HG LEU 20 -7.666 3.566 4.543 174 1HD1 LEU 20 HD11 LEU 20 -9.862 4.560 4.239 175 2HD1 LEU 20 HD12 LEU 20 -8.801 4.982 2.894 176 3HD1 LEU 20 HD13 LEU 20 -9.141 6.167 4.156 177 1HD2 LEU 20 HD21 LEU 20 -6.370 5.173 3.233 178 2HD2 LEU 20 HD22 LEU 20 -5.672 4.942 4.836 179 3HD2 LEU 20 HD23 LEU 20 -6.611 6.392 4.483 180 H ASP 21 HN ASP 21 -8.280 3.382 9.015 181 HA ASP 21 HA ASP 21 -8.607 5.656 10.641 182 1HB ASP 21 HB2 ASP 21 -9.956 3.450 10.600 183 2HB ASP 21 HB1 ASP 21 -8.717 2.845 11.696 184 H VAL 22 HN VAL 22 -6.321 2.950 10.789 185 HA VAL 22 HA VAL 22 -4.959 3.772 13.121 186 HB VAL 22 HB VAL 22 -3.921 2.189 10.757 187 1HG1 VAL 22 HG11 VAL 22 -2.061 3.148 11.979 188 2HG1 VAL 22 HG12 VAL 22 -2.155 1.414 12.284 189 3HG1 VAL 22 HG13 VAL 22 -2.725 2.555 13.502 190 1HG2 VAL 22 HG21 VAL 22 -5.775 1.090 11.860 191 2HG2 VAL 22 HG22 VAL 22 -5.003 1.310 13.430 192 3HG2 VAL 22 HG23 VAL 22 -4.274 0.241 12.231 193 H LEU 23 HN LEU 23 -4.404 4.428 9.685 194 HA LEU 23 HA LEU 23 -2.045 5.912 9.946 195 1HB LEU 23 HB2 LEU 23 -4.229 6.123 7.875 196 2HB LEU 23 HB1 LEU 23 -2.649 6.869 7.733 197 HG LEU 23 HG LEU 23 -3.165 3.898 7.896 198 1HD1 LEU 23 HD11 LEU 23 -2.414 5.642 5.554 199 2HD1 LEU 23 HD12 LEU 23 -3.953 4.818 5.797 200 3HD1 LEU 23 HD13 LEU 23 -2.482 3.880 5.540 201 1HD2 LEU 23 HD21 LEU 23 -1.017 4.487 8.848 202 2HD2 LEU 23 HD22 LEU 23 -0.623 5.451 7.425 203 3HD2 LEU 23 HD23 LEU 23 -0.792 3.700 7.285 204 H VAL 24 HN VAL 24 -5.432 6.950 9.999 205 HA VAL 24 HA VAL 24 -4.769 9.724 10.268 206 HB VAL 24 HB VAL 24 -7.391 8.312 10.778 207 1HG1 VAL 24 HG11 VAL 24 -7.266 10.465 11.938 208 2HG1 VAL 24 HG12 VAL 24 -8.404 10.529 10.591 209 3HG1 VAL 24 HG13 VAL 24 -6.804 11.251 10.429 210 1HG2 VAL 24 HG21 VAL 24 -6.584 8.102 8.470 211 2HG2 VAL 24 HG22 VAL 24 -6.425 9.858 8.374 212 3HG2 VAL 24 HG23 VAL 24 -8.017 9.123 8.570 213 H LYS 25 HN LYS 25 -5.540 7.087 12.495 214 HA LYS 25 HA LYS 25 -5.752 8.538 14.874 215 1HB LYS 25 HB2 LYS 25 -6.203 6.163 14.838 216 2HB LYS 25 HB1 LYS 25 -4.550 5.810 14.354 217 1HG LYS 25 HG2 LYS 25 -3.731 6.578 16.503 218 2HG LYS 25 HG1 LYS 25 -5.373 7.009 16.991 219 1HD LYS 25 HD2 LYS 25 -6.052 4.688 16.862 220 2HD LYS 25 HD1 LYS 25 -4.459 4.228 16.259 221 1HE LYS 25 HE2 LYS 25 -4.763 3.751 18.666 222 2HE LYS 25 HE1 LYS 25 -3.430 4.858 18.341 223 1HZ LYS 25 HZ1 LYS 25 -4.806 5.555 20.230 224 2HZ LYS 25 HZ2 LYS 25 -6.150 5.690 19.203 225 3HZ LYS 25 HZ3 LYS 25 -4.812 6.702 18.985 226 H GLU 26 HN GLU 26 -2.884 7.368 13.173 227 HA GLU 26 HA GLU 26 -1.063 8.534 15.082 228 1HB GLU 26 HB2 GLU 26 -0.633 7.232 12.389 229 2HB GLU 26 HB1 GLU 26 0.672 7.823 13.407 230 1HG GLU 26 HG2 GLU 26 -1.308 5.713 14.216 231 2HG GLU 26 HG1 GLU 26 0.307 5.396 13.583 232 H GLU 27 HN GLU 27 -2.858 9.685 12.497 233 HA GLU 27 HA GLU 27 -2.829 11.492 11.139 234 1HB GLU 27 HB2 GLU 27 -1.157 12.598 13.392 235 2HB GLU 27 HB1 GLU 27 -1.762 13.566 12.056 236 1HG GLU 27 HG2 GLU 27 -4.074 12.799 12.727 237 2HG GLU 27 HG1 GLU 27 -3.332 12.178 14.202 238 H VAL 28 HN VAL 28 -1.202 9.634 10.209 239 HA VAL 28 HA VAL 28 1.478 10.407 9.798 240 HB VAL 28 HB VAL 28 1.526 8.777 7.978 241 1HG1 VAL 28 HG11 VAL 28 -0.044 7.808 10.366 242 2HG1 VAL 28 HG12 VAL 28 1.710 7.970 10.269 243 3HG1 VAL 28 HG13 VAL 28 0.877 6.792 9.255 244 1HG2 VAL 28 HG21 VAL 28 -0.644 9.258 6.968 245 2HG2 VAL 28 HG22 VAL 28 -1.461 8.572 8.374 246 3HG2 VAL 28 HG23 VAL 28 -0.483 7.539 7.331 247 H THR 29 HN THR 29 2.471 11.554 8.195 248 HA THR 29 HA THR 29 0.879 13.393 6.667 249 HB THR 29 HB THR 29 3.210 14.003 5.740 250 HG1 THR 29 HG1 THR 29 4.948 13.151 6.924 251 1HG2 THR 29 HG21 THR 29 2.063 15.285 7.507 252 2HG2 THR 29 HG22 THR 29 3.807 15.233 7.764 253 3HG2 THR 29 HG23 THR 29 2.743 14.201 8.721 254 HA PRO 30 HA PRO 30 0.463 11.363 2.735 255 1HB PRO 30 HB2 PRO 30 2.259 13.466 1.601 256 2HB PRO 30 HB1 PRO 30 0.692 12.895 1.018 257 1HG PRO 30 HG2 PRO 30 0.881 15.209 2.311 258 2HG PRO 30 HG1 PRO 30 -0.492 14.123 2.597 259 1HD PRO 30 HD2 PRO 30 1.881 14.673 4.310 260 2HD PRO 30 HD1 PRO 30 0.215 14.284 4.780 261 H ASP 31 HN ASP 31 3.766 12.600 3.278 262 HA ASP 31 HA ASP 31 4.981 10.595 1.643 263 1HB ASP 31 HB2 ASP 31 7.113 11.485 2.486 264 2HB ASP 31 HB1 ASP 31 6.045 12.774 1.944 265 H LEU 32 HN LEU 32 4.460 10.974 5.121 266 HA LEU 32 HA LEU 32 5.947 8.717 5.932 267 1HB LEU 32 HB2 LEU 32 5.221 10.465 7.493 268 2HB LEU 32 HB1 LEU 32 3.547 10.014 7.231 269 HG LEU 32 HG LEU 32 3.995 7.808 8.255 270 1HD1 LEU 32 HD11 LEU 32 6.729 8.962 8.782 271 2HD1 LEU 32 HD12 LEU 32 6.351 7.594 7.734 272 3HD1 LEU 32 HD13 LEU 32 6.098 7.467 9.475 273 1HD2 LEU 32 HD21 LEU 32 4.751 10.199 9.933 274 2HD2 LEU 32 HD22 LEU 32 4.278 8.624 10.569 275 3HD2 LEU 32 HD23 LEU 32 3.122 9.585 9.647 276 H ALA 33 HN ALA 33 2.598 9.182 4.953 277 HA ALA 33 HA ALA 33 1.588 6.629 5.442 278 1HB ALA 33 HB1 ALA 33 0.185 8.523 4.816 279 2HB ALA 33 HB2 ALA 33 -0.090 7.157 3.735 280 3HB ALA 33 HB3 ALA 33 0.889 8.523 3.199 281 H LEU 34 HN LEU 34 3.211 7.925 2.572 282 HA LEU 34 HA LEU 34 3.063 5.657 0.953 283 1HB LEU 34 HB2 LEU 34 5.270 7.715 1.059 284 2HB LEU 34 HB1 LEU 34 4.968 6.605 -0.263 285 HG LEU 34 HG LEU 34 3.100 8.803 0.627 286 1HD1 LEU 34 HD11 LEU 34 5.141 9.647 -0.422 287 2HD1 LEU 34 HD12 LEU 34 3.731 9.894 -1.454 288 3HD1 LEU 34 HD13 LEU 34 4.866 8.590 -1.807 289 1HD2 LEU 34 HD21 LEU 34 1.878 8.268 -1.436 290 2HD2 LEU 34 HD22 LEU 34 1.885 6.918 -0.301 291 3HD2 LEU 34 HD23 LEU 34 2.953 6.895 -1.705 292 H MET 35 HN MET 35 5.617 6.670 3.206 293 HA MET 35 HA MET 35 7.386 4.540 2.670 294 1HB MET 35 HB2 MET 35 8.065 6.623 3.789 295 2HB MET 35 HB1 MET 35 7.097 6.192 5.190 296 1HG MET 35 HG2 MET 35 8.515 4.315 5.664 297 2HG MET 35 HG1 MET 35 9.415 4.562 4.170 298 1HE MET 35 HE1 MET 35 8.531 6.071 7.687 299 2HE MET 35 HE2 MET 35 8.159 7.408 6.596 300 3HE MET 35 HE3 MET 35 9.523 7.530 7.707 301 H CYS 36 HN CYS 36 4.759 4.857 5.017 302 HA CYS 36 HA CYS 36 5.385 2.385 6.328 303 1HB CYS 36 HB2 CYS 36 2.837 4.015 6.437 304 2HB CYS 36 HB1 CYS 36 3.292 2.726 7.546 305 HG CYS 36 HG CYS 36 4.640 5.844 7.279 306 H LEU 37 HN LEU 37 2.834 3.412 4.052 307 HA LEU 37 HA LEU 37 1.573 0.883 3.923 308 1HB LEU 37 HB2 LEU 37 1.555 3.215 2.013 309 2HB LEU 37 HB1 LEU 37 0.553 1.790 1.808 310 HG LEU 37 HG LEU 37 0.435 3.640 4.194 311 1HD1 LEU 37 HD11 LEU 37 -1.683 4.402 3.237 312 2HD1 LEU 37 HD12 LEU 37 -1.391 3.413 1.806 313 3HD1 LEU 37 HD13 LEU 37 -0.321 4.766 2.178 314 1HD2 LEU 37 HD21 LEU 37 -1.343 1.360 3.332 315 2HD2 LEU 37 HD22 LEU 37 -1.639 2.436 4.699 316 3HD2 LEU 37 HD23 LEU 37 -0.242 1.359 4.710 317 H GLY 38 HN GLY 38 3.950 2.450 1.789 318 1HA GLY 38 HA2 GLY 38 4.070 0.443 -0.170 319 2HA GLY 38 HA1 GLY 38 5.353 1.589 0.188 320 H ASN 39 HN ASN 39 5.713 0.744 2.911 321 HA ASN 39 HA ASN 39 7.538 -1.397 2.528 322 1HB ASN 39 HB2 ASN 39 7.452 0.492 4.350 323 2HB ASN 39 HB1 ASN 39 6.450 -0.663 5.218 324 1HD2 ASN 39 HD21 ASN 39 9.613 0.150 4.170 325 2HD2 ASN 39 HD22 ASN 39 10.445 -1.132 4.991 326 H ALA 40 HN ALA 40 4.344 -1.121 4.027 327 HA ALA 40 HA ALA 40 4.071 -3.775 4.879 328 1HB ALA 40 HB1 ALA 40 2.596 -1.983 5.632 329 2HB ALA 40 HB2 ALA 40 1.668 -3.319 4.951 330 3HB ALA 40 HB3 ALA 40 1.918 -1.848 4.009 331 H VAL 41 HN VAL 41 3.467 -2.249 1.767 332 HA VAL 41 HA VAL 41 2.067 -4.355 0.540 333 HB VAL 41 HB VAL 41 3.911 -2.334 -0.759 334 1HG1 VAL 41 HG11 VAL 41 1.747 -4.050 -1.969 335 2HG1 VAL 41 HG12 VAL 41 3.482 -4.243 -2.213 336 3HG1 VAL 41 HG13 VAL 41 2.662 -2.800 -2.810 337 1HG2 VAL 41 HG21 VAL 41 2.110 -1.268 0.489 338 2HG2 VAL 41 HG22 VAL 41 0.925 -2.267 -0.355 339 3HG2 VAL 41 HG23 VAL 41 1.875 -1.079 -1.249 340 H THR 42 HN THR 42 5.540 -3.608 0.697 341 HA THR 42 HA THR 42 6.187 -5.787 -1.049 342 HB THR 42 HB THR 42 7.513 -3.638 -0.839 343 HG1 THR 42 HG1 THR 42 9.479 -4.762 -1.233 344 1HG2 THR 42 HG21 THR 42 8.686 -5.030 1.565 345 2HG2 THR 42 HG22 THR 42 7.672 -3.587 1.614 346 3HG2 THR 42 HG23 THR 42 9.255 -3.528 0.838 347 H ASN 43 HN ASN 43 5.704 -5.452 2.342 348 HA ASN 43 HA ASN 43 7.109 -7.826 3.110 349 1HB ASN 43 HB2 ASN 43 5.141 -6.012 4.446 350 2HB ASN 43 HB1 ASN 43 5.404 -7.618 5.123 351 1HD2 ASN 43 HD21 ASN 43 6.815 -4.504 4.490 352 2HD2 ASN 43 HD22 ASN 43 8.198 -4.706 5.509 353 H ILE 44 HN ILE 44 3.852 -7.055 2.051 354 HA ILE 44 HA ILE 44 2.779 -9.666 2.465 355 HB ILE 44 HB ILE 44 1.881 -7.454 0.608 356 1HG1 ILE 44 HG12 ILE 44 1.788 -6.848 2.985 357 2HG1 ILE 44 HG11 ILE 44 0.170 -7.019 2.312 358 1HG2 ILE 44 HG21 ILE 44 1.045 -9.579 -0.197 359 2HG2 ILE 44 HG22 ILE 44 -0.271 -8.641 0.507 360 3HG2 ILE 44 HG23 ILE 44 0.439 -9.978 1.411 361 1HD1 ILE 44 HD11 ILE 44 -0.026 -9.222 3.328 362 2HD1 ILE 44 HD12 ILE 44 0.323 -7.986 4.537 363 3HD1 ILE 44 HD13 ILE 44 1.603 -9.069 3.987 364 H ILE 45 HN ILE 45 4.332 -8.000 -0.213 365 HA ILE 45 HA ILE 45 4.007 -9.977 -2.182 366 HB ILE 45 HB ILE 45 6.220 -7.943 -1.848 367 1HG1 ILE 45 HG12 ILE 45 3.716 -7.882 -3.550 368 2HG1 ILE 45 HG11 ILE 45 3.927 -7.019 -2.031 369 1HG2 ILE 45 HG21 ILE 45 6.905 -9.775 -3.330 370 2HG2 ILE 45 HG22 ILE 45 6.690 -8.266 -4.215 371 3HG2 ILE 45 HG23 ILE 45 5.455 -9.522 -4.304 372 1HD1 ILE 45 HD11 ILE 45 4.230 -5.553 -3.941 373 2HD1 ILE 45 HD12 ILE 45 5.527 -6.585 -4.539 374 3HD1 ILE 45 HD13 ILE 45 5.728 -5.712 -3.021 375 H ALA 46 HN ALA 46 6.268 -9.674 0.473 376 HA ALA 46 HA ALA 46 8.077 -11.688 -0.466 377 1HB ALA 46 HB1 ALA 46 7.730 -10.557 2.308 378 2HB ALA 46 HB2 ALA 46 8.796 -9.913 1.059 379 3HB ALA 46 HB3 ALA 46 9.097 -11.513 1.737 380 H GLN 47 HN GLN 47 4.970 -11.883 0.693 381 HA GLN 47 HA GLN 47 5.362 -14.383 2.144 382 1HB GLN 47 HB2 GLN 47 2.884 -12.733 1.627 383 2HB GLN 47 HB1 GLN 47 2.907 -14.223 2.563 384 1HG GLN 47 HG2 GLN 47 4.404 -13.216 4.180 385 2HG GLN 47 HG1 GLN 47 4.477 -11.741 3.220 386 1HE2 GLN 47 HE21 GLN 47 3.709 -10.490 4.912 387 2HE2 GLN 47 HE22 GLN 47 2.055 -10.533 5.404 388 H VAL 48 HN VAL 48 4.381 -13.253 -0.975 389 HA VAL 48 HA VAL 48 3.272 -15.854 -1.709 390 HB VAL 48 HB VAL 48 2.849 -14.851 -3.927 391 1HG1 VAL 48 HG11 VAL 48 1.843 -13.209 -1.616 392 2HG1 VAL 48 HG12 VAL 48 1.146 -14.716 -2.211 393 3HG1 VAL 48 HG13 VAL 48 1.123 -13.272 -3.224 394 1HG2 VAL 48 HG21 VAL 48 4.707 -13.283 -4.023 395 2HG2 VAL 48 HG22 VAL 48 3.990 -12.336 -2.720 396 3HG2 VAL 48 HG23 VAL 48 3.172 -12.451 -4.279 397 HA PRO 49 HA PRO 49 6.910 -17.428 -3.736 398 1HB PRO 49 HB2 PRO 49 5.893 -18.249 -6.152 399 2HB PRO 49 HB1 PRO 49 5.740 -19.166 -4.649 400 1HG PRO 49 HG2 PRO 49 3.766 -17.334 -5.959 401 2HG PRO 49 HG1 PRO 49 3.494 -18.915 -5.202 402 1HD PRO 49 HD2 PRO 49 2.902 -16.647 -3.921 403 2HD PRO 49 HD1 PRO 49 3.579 -18.039 -3.054 404 H GLU 50 HN GLU 50 8.495 -16.805 -5.172 405 HA GLU 50 HA GLU 50 8.515 -14.152 -6.069 406 1HB GLU 50 HB2 GLU 50 10.288 -16.446 -6.926 407 2HB GLU 50 HB1 GLU 50 10.637 -14.738 -7.171 408 1HG GLU 50 HG2 GLU 50 10.033 -15.313 -4.414 409 2HG GLU 50 HG1 GLU 50 11.367 -16.302 -5.001 410 H SER 51 HN SER 51 7.468 -17.066 -7.573 411 HA SER 51 HA SER 51 7.504 -16.553 -10.257 412 1HB SER 51 HB2 SER 51 6.655 -18.632 -9.315 413 2HB SER 51 HB1 SER 51 5.275 -17.786 -8.620 414 HG SER 51 HG SER 51 4.285 -17.991 -10.446 415 H LYS 52 HN LYS 52 5.260 -15.188 -7.858 416 HA LYS 52 HA LYS 52 4.230 -13.472 -10.013 417 1HB LYS 52 HB2 LYS 52 2.105 -13.316 -8.783 418 2HB LYS 52 HB1 LYS 52 2.478 -14.958 -9.280 419 1HG LYS 52 HG2 LYS 52 3.215 -15.479 -7.010 420 2HG LYS 52 HG1 LYS 52 2.847 -13.825 -6.515 421 1HD LYS 52 HD2 LYS 52 0.812 -15.732 -7.670 422 2HD LYS 52 HD1 LYS 52 1.073 -15.502 -5.941 423 1HE LYS 52 HE2 LYS 52 0.453 -13.160 -6.129 424 2HE LYS 52 HE1 LYS 52 0.294 -13.318 -7.877 425 1HZ LYS 52 HZ1 LYS 52 -1.333 -14.941 -6.006 426 2HZ LYS 52 HZ2 LYS 52 -1.610 -14.642 -7.650 427 3HZ LYS 52 HZ3 LYS 52 -1.829 -13.399 -6.514 428 H ARG 53 HN ARG 53 6.278 -13.314 -7.475 429 HA ARG 53 HA ARG 53 5.373 -11.095 -6.003 430 1HB ARG 53 HB2 ARG 53 8.141 -12.107 -6.604 431 2HB ARG 53 HB1 ARG 53 7.872 -10.676 -5.621 432 1HG ARG 53 HG2 ARG 53 6.462 -12.066 -4.110 433 2HG ARG 53 HG1 ARG 53 6.957 -13.479 -5.049 434 1HD ARG 53 HD2 ARG 53 9.297 -13.006 -4.520 435 2HD ARG 53 HD1 ARG 53 8.800 -11.596 -3.584 436 HE ARG 53 HE ARG 53 7.414 -13.681 -2.482 437 1HH1 ARG 53 HH11 ARG 53 10.796 -13.043 -3.115 438 2HH1 ARG 53 HH12 ARG 53 11.358 -13.942 -1.735 439 1HH2 ARG 53 HH21 ARG 53 8.139 -14.862 -0.676 440 2HH2 ARG 53 HH22 ARG 53 9.838 -14.977 -0.334 441 H VAL 54 HN VAL 54 7.488 -11.171 -8.877 442 HA VAL 54 HA VAL 54 7.696 -8.344 -9.055 443 HB VAL 54 HB VAL 54 8.075 -10.356 -11.283 444 1HG1 VAL 54 HG11 VAL 54 7.919 -8.055 -12.073 445 2HG1 VAL 54 HG12 VAL 54 9.565 -8.664 -12.244 446 3HG1 VAL 54 HG13 VAL 54 9.164 -7.563 -10.924 447 1HG2 VAL 54 HG21 VAL 54 10.079 -9.307 -9.286 448 2HG2 VAL 54 HG22 VAL 54 10.444 -10.341 -10.667 449 3HG2 VAL 54 HG23 VAL 54 9.438 -10.949 -9.353 450 H ALA 55 HN ALA 55 5.368 -10.662 -10.176 451 HA ALA 55 HA ALA 55 4.120 -8.991 -12.116 452 1HB ALA 55 HB1 ALA 55 3.025 -11.410 -10.689 453 2HB ALA 55 HB2 ALA 55 3.937 -11.428 -12.198 454 3HB ALA 55 HB3 ALA 55 2.350 -10.662 -12.137 455 H VAL 56 HN VAL 56 3.337 -9.859 -8.747 456 HA VAL 56 HA VAL 56 0.927 -8.406 -8.666 457 HB VAL 56 HB VAL 56 1.064 -8.558 -6.208 458 1HG1 VAL 56 HG11 VAL 56 1.713 -11.105 -7.676 459 2HG1 VAL 56 HG12 VAL 56 0.115 -10.382 -7.490 460 3HG1 VAL 56 HG13 VAL 56 0.973 -11.001 -6.079 461 1HG2 VAL 56 HG21 VAL 56 2.897 -9.826 -5.169 462 2HG2 VAL 56 HG22 VAL 56 3.445 -8.302 -5.868 463 3HG2 VAL 56 HG23 VAL 56 3.753 -9.821 -6.711 464 H VAL 57 HN VAL 57 4.250 -7.428 -7.964 465 HA VAL 57 HA VAL 57 3.455 -4.918 -6.848 466 HB VAL 57 HB VAL 57 5.625 -5.869 -6.253 467 1HG1 VAL 57 HG11 VAL 57 6.203 -6.920 -8.376 468 2HG1 VAL 57 HG12 VAL 57 7.498 -5.863 -7.812 469 3HG1 VAL 57 HG13 VAL 57 6.426 -5.328 -9.106 470 1HG2 VAL 57 HG21 VAL 57 6.976 -3.849 -6.481 471 2HG2 VAL 57 HG22 VAL 57 5.305 -3.460 -6.073 472 3HG2 VAL 57 HG23 VAL 57 5.881 -3.252 -7.726 473 H ASP 58 HN ASP 58 4.372 -6.020 -10.078 474 HA ASP 58 HA ASP 58 4.463 -3.428 -11.248 475 1HB ASP 58 HB2 ASP 58 5.427 -5.550 -12.237 476 2HB ASP 58 HB1 ASP 58 3.780 -6.000 -12.661 477 H ASN 59 HN ASN 59 1.927 -5.855 -10.857 478 HA ASN 59 HA ASN 59 -0.052 -4.351 -12.260 479 1HB ASN 59 HB2 ASN 59 -0.232 -6.677 -10.349 480 2HB ASN 59 HB1 ASN 59 -1.660 -5.917 -11.043 481 1HD2 ASN 59 HD21 ASN 59 -0.682 -8.624 -11.362 482 2HD2 ASN 59 HD22 ASN 59 -0.438 -8.849 -13.066 483 H PHE 60 HN PHE 60 1.018 -4.539 -8.929 484 HA PHE 60 HA PHE 60 -1.018 -3.041 -7.709 485 1HB PHE 60 HB2 PHE 60 0.853 -4.283 -6.543 486 2HB PHE 60 HB1 PHE 60 1.925 -2.963 -7.007 487 HD1 PHE 60 HD2 PHE 60 -1.083 -3.797 -5.030 488 HD2 PHE 60 HD1 PHE 60 2.027 -0.988 -5.754 489 HE1 PHE 60 HE2 PHE 60 -1.722 -2.573 -2.995 490 HE2 PHE 60 HE1 PHE 60 1.396 0.240 -3.718 491 HZ PHE 60 HZ PHE 60 -0.482 -0.552 -2.337 492 H THR 61 HN THR 61 2.120 -2.027 -8.999 493 HA THR 61 HA THR 61 1.707 0.738 -8.653 494 HB THR 61 HB THR 61 3.615 0.967 -10.262 495 HG1 THR 61 HG1 THR 61 3.418 -0.784 -11.598 496 1HG2 THR 61 HG21 THR 61 5.268 -0.112 -8.814 497 2HG2 THR 61 HG22 THR 61 3.995 -1.074 -8.065 498 3HG2 THR 61 HG23 THR 61 4.014 0.681 -7.858 499 H LYS 62 HN LYS 62 1.160 -1.466 -11.358 500 HA LYS 62 HA LYS 62 0.340 0.357 -13.303 501 1HB LYS 62 HB2 LYS 62 0.715 -2.114 -13.567 502 2HB LYS 62 HB1 LYS 62 -0.841 -2.380 -12.801 503 1HG LYS 62 HG2 LYS 62 -1.935 -1.163 -14.624 504 2HG LYS 62 HG1 LYS 62 -0.366 -0.931 -15.399 505 1HD LYS 62 HD2 LYS 62 -1.759 -3.551 -14.854 506 2HD LYS 62 HD1 LYS 62 -1.462 -2.811 -16.429 507 1HE LYS 62 HE2 LYS 62 0.945 -3.053 -16.099 508 2HE LYS 62 HE1 LYS 62 0.667 -3.751 -14.505 509 1HZ LYS 62 HZ1 LYS 62 -0.512 -5.592 -15.579 510 2HZ LYS 62 HZ2 LYS 62 1.092 -5.474 -16.116 511 3HZ LYS 62 HZ3 LYS 62 -0.171 -4.928 -17.102 512 H ALA 63 HN ALA 63 -1.599 -1.319 -10.830 513 HA ALA 63 HA ALA 63 -4.068 -0.127 -11.565 514 1HB ALA 63 HB1 ALA 63 -4.928 -1.069 -9.494 515 2HB ALA 63 HB2 ALA 63 -3.285 -1.400 -8.945 516 3HB ALA 63 HB3 ALA 63 -3.933 -2.248 -10.350 517 H LEU 64 HN LEU 64 -1.525 0.771 -9.319 518 HA LEU 64 HA LEU 64 -2.841 2.744 -7.862 519 1HB LEU 64 HB2 LEU 64 0.005 2.339 -8.674 520 2HB LEU 64 HB1 LEU 64 -0.461 3.837 -7.891 521 HG LEU 64 HG LEU 64 -0.905 1.098 -6.698 522 1HD1 LEU 64 HD11 LEU 64 0.978 1.606 -5.254 523 2HD1 LEU 64 HD12 LEU 64 1.224 3.142 -6.086 524 3HD1 LEU 64 HD13 LEU 64 1.484 1.624 -6.944 525 1HD2 LEU 64 HD21 LEU 64 -2.467 2.784 -5.906 526 2HD2 LEU 64 HD22 LEU 64 -1.131 3.880 -5.555 527 3HD2 LEU 64 HD23 LEU 64 -1.304 2.378 -4.643 528 H LYS 65 HN LYS 65 -0.771 3.261 -10.732 529 HA LYS 65 HA LYS 65 -1.509 5.972 -11.010 530 1HB LYS 65 HB2 LYS 65 -0.380 4.074 -13.074 531 2HB LYS 65 HB1 LYS 65 -0.473 5.822 -13.245 532 1HG LYS 65 HG2 LYS 65 0.957 6.027 -11.218 533 2HG LYS 65 HG1 LYS 65 1.155 4.274 -11.247 534 1HD LYS 65 HD2 LYS 65 2.155 4.411 -13.459 535 2HD LYS 65 HD1 LYS 65 1.911 6.159 -13.474 536 1HE LYS 65 HE2 LYS 65 3.339 6.279 -11.418 537 2HE LYS 65 HE1 LYS 65 3.709 4.572 -11.654 538 1HZ LYS 65 HZ1 LYS 65 4.628 5.116 -13.828 539 2HZ LYS 65 HZ2 LYS 65 5.420 5.985 -12.602 540 3HZ LYS 65 HZ3 LYS 65 4.274 6.756 -13.582 541 H GLN 66 HN GLN 66 -2.848 2.999 -12.247 542 HA GLN 66 HA GLN 66 -4.617 4.028 -14.154 543 1HB GLN 66 HB2 GLN 66 -4.231 1.673 -14.049 544 2HB GLN 66 HB1 GLN 66 -4.760 1.596 -12.377 545 1HG GLN 66 HG2 GLN 66 -7.041 2.152 -13.083 546 2HG GLN 66 HG1 GLN 66 -6.499 2.193 -14.760 547 1HE2 GLN 66 HE21 GLN 66 -8.481 0.504 -13.397 548 2HE2 GLN 66 HE22 GLN 66 -7.990 -1.124 -13.722 549 H SER 67 HN SER 67 -4.906 3.726 -10.655 550 HA SER 67 HA SER 67 -7.681 4.567 -10.726 551 1HB SER 67 HB2 SER 67 -5.929 3.998 -8.325 552 2HB SER 67 HB1 SER 67 -7.690 4.112 -8.349 553 HG SER 67 HG SER 67 -6.065 2.156 -9.619 554 H VAL 68 HN VAL 68 -4.546 5.832 -9.662 555 HA VAL 68 HA VAL 68 -5.565 8.148 -8.406 556 HB VAL 68 HB VAL 68 -2.824 7.611 -9.557 557 1HG1 VAL 68 HG11 VAL 68 -3.225 10.015 -9.431 558 2HG1 VAL 68 HG12 VAL 68 -2.046 9.502 -8.223 559 3HG1 VAL 68 HG13 VAL 68 -3.707 9.851 -7.741 560 1HG2 VAL 68 HG21 VAL 68 -3.882 7.508 -6.734 561 2HG2 VAL 68 HG22 VAL 68 -2.197 7.276 -7.204 562 3HG2 VAL 68 HG23 VAL 68 -3.427 6.127 -7.733 563 H LEU 69 HN LEU 69 -4.251 7.649 -11.682 564 HA LEU 69 HA LEU 69 -4.533 10.414 -12.375 565 1HB LEU 69 HB2 LEU 69 -4.055 8.004 -14.128 566 2HB LEU 69 HB1 LEU 69 -3.934 9.673 -14.652 567 HG LEU 69 HG LEU 69 -2.183 8.346 -12.579 568 1HD1 LEU 69 HD11 LEU 69 -0.422 8.554 -14.239 569 2HD1 LEU 69 HD12 LEU 69 -1.562 9.262 -15.383 570 3HD1 LEU 69 HD13 LEU 69 -1.756 7.587 -14.871 571 1HD2 LEU 69 HD21 LEU 69 -2.538 10.716 -12.101 572 2HD2 LEU 69 HD22 LEU 69 -2.067 11.126 -13.750 573 3HD2 LEU 69 HD23 LEU 69 -0.888 10.417 -12.645 574 H GLU 70 HN GLU 70 -6.637 7.714 -12.378 575 HA GLU 70 HA GLU 70 -8.401 8.918 -14.373 576 1HB GLU 70 HB2 GLU 70 -7.772 6.387 -14.177 577 2HB GLU 70 HB1 GLU 70 -8.988 6.368 -12.909 578 1HG GLU 70 HG2 GLU 70 -9.912 5.659 -15.034 579 2HG GLU 70 HG1 GLU 70 -10.664 7.156 -14.480 580 H HIS 71 HN HIS 71 -7.856 9.224 -11.155 581 HA HIS 71 HA HIS 71 -10.642 9.264 -10.318 582 1HB HIS 71 HB2 HIS 71 -8.529 8.472 -8.945 583 2HB HIS 71 HB1 HIS 71 -8.406 10.184 -8.553 584 HD1 HIS 71 HD1 HIS 71 -10.515 11.227 -7.274 585 HD2 HIS 71 HD2 HIS 71 -10.421 7.079 -7.525 586 HE1 HIS 71 HE1 HIS 71 -12.151 10.406 -5.542 587 HE2 HIS 71 HE2 HIS 71 -12.057 7.889 -5.687 588 H HIS 72 HN HIS 72 -9.161 11.236 -12.203 589 HA HIS 72 HA HIS 72 -9.488 13.791 -10.952 590 1HB HIS 72 HB2 HIS 72 -7.986 13.494 -12.887 591 2HB HIS 72 HB1 HIS 72 -9.361 13.053 -13.892 592 HD1 HIS 72 HD1 HIS 72 -7.605 15.997 -12.396 593 HD2 HIS 72 HD2 HIS 72 -10.982 15.208 -14.713 594 HE1 HIS 72 HE1 HIS 72 -8.351 18.220 -13.302 595 HE2 HIS 72 HE2 HIS 72 -10.239 17.684 -14.879 596 H HIS 73 HN HIS 73 -11.455 14.275 -10.202 597 HA HIS 73 HA HIS 73 -13.791 13.426 -11.771 598 1HB HIS 73 HB2 HIS 73 -13.476 12.539 -9.426 599 2HB HIS 73 HB1 HIS 73 -13.722 14.182 -8.846 600 HD1 HIS 73 HD1 HIS 73 -15.565 11.477 -10.757 601 HD2 HIS 73 HD2 HIS 73 -16.333 14.872 -8.482 602 HE1 HIS 73 HE1 HIS 73 -18.057 11.526 -10.427 603 HE2 HIS 73 HE2 HIS 73 -18.457 13.445 -8.844 604 H HIS 74 HN HIS 74 -15.129 14.868 -12.599 605 HA HIS 74 HA HIS 74 -14.580 17.699 -12.273 606 1HB HIS 74 HB2 HIS 74 -15.032 16.776 -14.504 607 2HB HIS 74 HB1 HIS 74 -16.611 16.218 -13.967 608 HD1 HIS 74 HD1 HIS 74 -14.744 19.316 -14.961 609 HD2 HIS 74 HD2 HIS 74 -18.606 18.169 -13.907 610 HE1 HIS 74 HE1 HIS 74 -16.222 21.279 -15.523 611 HE2 HIS 74 HE2 HIS 74 -18.542 20.590 -14.810 612 H HIS 75 HN HIS 75 -15.903 19.190 -11.278 613 HA HIS 75 HA HIS 75 -17.693 18.160 -9.280 614 1HB HIS 75 HB2 HIS 75 -16.826 20.935 -10.054 615 2HB HIS 75 HB1 HIS 75 -18.098 20.673 -8.868 616 HD1 HIS 75 HD1 HIS 75 -14.773 21.544 -8.861 617 HD2 HIS 75 HD2 HIS 75 -16.886 18.555 -6.889 618 HE1 HIS 75 HE1 HIS 75 -13.383 20.941 -6.851 619 HE2 HIS 75 HE2 HIS 75 -14.813 19.325 -5.548 620 H HIS 76 HN HIS 76 -18.381 20.906 -11.394 621 HA HIS 76 HA HIS 76 -20.818 19.671 -12.381 622 1HB HIS 76 HB2 HIS 76 -21.378 20.652 -10.124 623 2HB HIS 76 HB1 HIS 76 -20.945 22.231 -10.768 624 HD1 HIS 76 HD1 HIS 76 -23.750 20.017 -10.334 625 HD2 HIS 76 HD2 HIS 76 -22.686 22.966 -13.068 626 HE1 HIS 76 HE1 HIS 76 -25.890 20.690 -11.478 627 HE2 HIS 76 HE2 HIS 76 -25.246 22.601 -12.989 628 1H MET 1 HT1 MET 1 22.544 22.930 15.512 629 2H MET 1 HT2 MET 1 21.657 22.772 16.946 630 3H MET 1 HT3 MET 1 22.027 24.316 16.345 631 HA MET 1 HA MET 1 19.747 23.810 15.895 632 1HB MET 1 HB2 MET 1 21.085 25.106 14.245 633 2HB MET 1 HB1 MET 1 21.456 23.613 13.400 634 1HG MET 1 HG2 MET 1 18.620 24.464 13.809 635 2HG MET 1 HG1 MET 1 19.590 25.154 12.512 636 1HE MET 1 HE1 MET 1 17.996 24.315 10.592 637 2HE MET 1 HE2 MET 1 16.908 23.755 11.861 638 3HE MET 1 HE3 MET 1 17.334 22.681 10.529 639 HA PRO 2 HA PRO 2 19.029 19.424 15.838 640 1HB PRO 2 HB2 PRO 2 16.320 19.587 15.374 641 2HB PRO 2 HB1 PRO 2 17.072 19.749 16.964 642 1HG PRO 2 HG2 PRO 2 16.142 21.878 15.080 643 2HG PRO 2 HG1 PRO 2 15.985 21.795 16.845 644 1HD PRO 2 HD2 PRO 2 17.849 23.327 15.668 645 2HD PRO 2 HD1 PRO 2 18.171 22.482 17.197 646 H ILE 3 HN ILE 3 19.700 18.329 14.121 647 HA ILE 3 HA ILE 3 19.299 19.059 11.435 648 HB ILE 3 HB ILE 3 19.947 16.316 12.540 649 1HG1 ILE 3 HG12 ILE 3 21.545 17.995 13.317 650 2HG1 ILE 3 HG11 ILE 3 22.299 16.938 12.129 651 1HG2 ILE 3 HG21 ILE 3 20.964 15.915 10.333 652 2HG2 ILE 3 HG22 ILE 3 20.360 17.481 9.788 653 3HG2 ILE 3 HG23 ILE 3 19.227 16.204 10.231 654 1HD1 ILE 3 HD11 ILE 3 21.238 19.704 11.584 655 2HD1 ILE 3 HD12 ILE 3 22.047 18.649 10.423 656 3HD1 ILE 3 HD13 ILE 3 22.932 19.273 11.815 657 H VAL 4 HN VAL 4 17.746 18.573 9.997 658 HA VAL 4 HA VAL 4 15.155 18.263 10.823 659 HB VAL 4 HB VAL 4 16.191 17.473 8.100 660 1HG1 VAL 4 HG11 VAL 4 13.879 16.795 8.507 661 2HG1 VAL 4 HG12 VAL 4 13.964 18.093 7.315 662 3HG1 VAL 4 HG13 VAL 4 13.472 18.447 8.971 663 1HG2 VAL 4 HG21 VAL 4 15.734 19.800 7.461 664 2HG2 VAL 4 HG22 VAL 4 16.991 19.682 8.691 665 3HG2 VAL 4 HG23 VAL 4 15.359 20.177 9.143 666 H SER 5 HN SER 5 14.554 16.631 12.072 667 HA SER 5 HA SER 5 14.445 13.967 10.842 668 1HB SER 5 HB2 SER 5 14.965 14.410 13.792 669 2HB SER 5 HB1 SER 5 15.033 12.887 12.903 670 HG SER 5 HG SER 5 16.760 15.118 12.539 671 H LYS 6 HN LYS 6 12.311 13.682 10.499 672 HA LYS 6 HA LYS 6 10.465 15.190 12.208 673 1HB LYS 6 HB2 LYS 6 10.045 13.994 9.465 674 2HB LYS 6 HB1 LYS 6 8.863 14.946 10.354 675 1HG LYS 6 HG2 LYS 6 10.347 16.881 10.275 676 2HG LYS 6 HG1 LYS 6 11.548 15.927 9.402 677 1HD LYS 6 HD2 LYS 6 8.749 16.510 8.433 678 2HD LYS 6 HD1 LYS 6 10.203 17.360 7.909 679 1HE LYS 6 HE2 LYS 6 9.739 14.395 7.596 680 2HE LYS 6 HE1 LYS 6 9.456 15.590 6.331 681 1HZ LYS 6 HZ1 LYS 6 11.618 14.493 6.117 682 2HZ LYS 6 HZ2 LYS 6 12.081 15.085 7.636 683 3HZ LYS 6 HZ3 LYS 6 11.783 16.164 6.362 684 H TYR 7 HN TYR 7 11.378 11.962 11.423 685 HA TYR 7 HA TYR 7 8.977 10.978 12.814 686 1HB TYR 7 HB2 TYR 7 10.280 9.526 10.511 687 2HB TYR 7 HB1 TYR 7 8.740 9.162 11.281 688 HD1 TYR 7 HD2 TYR 7 6.940 11.085 11.142 689 HD2 TYR 7 HD1 TYR 7 10.293 10.734 8.548 690 HE1 TYR 7 HE2 TYR 7 5.806 12.508 9.487 691 HE2 TYR 7 HE1 TYR 7 9.170 12.156 6.893 692 HH TYR 7 HH TYR 7 6.945 12.839 6.272 693 H SER 8 HN SER 8 9.354 9.629 14.447 694 HA SER 8 HA SER 8 12.062 8.781 15.000 695 1HB SER 8 HB2 SER 8 10.897 7.848 17.102 696 2HB SER 8 HB1 SER 8 10.921 9.603 16.901 697 HG SER 8 HG SER 8 8.825 8.261 17.367 698 H ASN 9 HN ASN 9 12.714 6.634 15.251 699 HA ASN 9 HA ASN 9 11.832 4.871 13.268 700 1HB ASN 9 HB2 ASN 9 14.084 4.727 14.084 701 2HB ASN 9 HB1 ASN 9 13.533 4.425 15.727 702 1HD2 ASN 9 HD21 ASN 9 13.052 2.376 16.353 703 2HD2 ASN 9 HD22 ASN 9 13.229 0.987 15.326 704 H GLU 10 HN GLU 10 11.241 4.863 16.748 705 HA GLU 10 HA GLU 10 9.884 2.426 16.920 706 1HB GLU 10 HB2 GLU 10 9.695 4.917 18.623 707 2HB GLU 10 HB1 GLU 10 8.911 3.401 19.039 708 1HG GLU 10 HG2 GLU 10 11.028 3.747 20.234 709 2HG GLU 10 HG1 GLU 10 11.036 2.296 19.238 710 H ARG 11 HN ARG 11 8.654 5.708 16.417 711 HA ARG 11 HA ARG 11 5.920 5.052 16.461 712 1HB ARG 11 HB2 ARG 11 6.758 7.346 16.714 713 2HB ARG 11 HB1 ARG 11 7.325 7.330 15.052 714 1HG ARG 11 HG2 ARG 11 5.032 7.135 14.258 715 2HG ARG 11 HG1 ARG 11 4.450 7.120 15.925 716 1HD ARG 11 HD2 ARG 11 5.372 9.353 16.272 717 2HD ARG 11 HD1 ARG 11 5.984 9.365 14.618 718 HE ARG 11 HE ARG 11 3.106 9.011 14.994 719 1HH1 ARG 11 HH11 ARG 11 5.768 11.116 14.150 720 2HH1 ARG 11 HH12 ARG 11 4.764 12.311 13.397 721 1HH2 ARG 11 HH21 ARG 11 1.771 10.576 13.955 722 2HH2 ARG 11 HH22 ARG 11 2.501 11.993 13.257 723 H VAL 12 HN VAL 12 8.189 5.458 13.747 724 HA VAL 12 HA VAL 12 6.310 4.972 11.705 725 HB VAL 12 HB VAL 12 9.305 4.564 11.652 726 1HG1 VAL 12 HG11 VAL 12 7.340 4.793 9.373 727 2HG1 VAL 12 HG12 VAL 12 8.234 3.346 9.837 728 3HG1 VAL 12 HG13 VAL 12 9.096 4.752 9.212 729 1HG2 VAL 12 HG21 VAL 12 7.624 6.911 10.784 730 2HG2 VAL 12 HG22 VAL 12 9.373 6.765 10.601 731 3HG2 VAL 12 HG23 VAL 12 8.659 6.847 12.211 732 H GLU 13 HN GLU 13 8.610 2.800 13.333 733 HA GLU 13 HA GLU 13 8.062 0.522 11.790 734 1HB GLU 13 HB2 GLU 13 10.022 0.711 13.265 735 2HB GLU 13 HB1 GLU 13 8.971 0.663 14.673 736 1HG GLU 13 HG2 GLU 13 8.334 -1.589 14.207 737 2HG GLU 13 HG1 GLU 13 9.156 -1.554 12.649 738 H LYS 14 HN LYS 14 6.563 1.748 14.756 739 HA LYS 14 HA LYS 14 4.842 -0.433 15.175 740 1HB LYS 14 HB2 LYS 14 5.146 1.146 16.952 741 2HB LYS 14 HB1 LYS 14 4.558 2.468 15.951 742 1HG LYS 14 HG2 LYS 14 2.342 1.567 15.948 743 2HG LYS 14 HG1 LYS 14 2.885 0.105 16.768 744 1HD LYS 14 HD2 LYS 14 3.413 1.371 18.754 745 2HD LYS 14 HD1 LYS 14 3.018 2.883 17.931 746 1HE LYS 14 HE2 LYS 14 1.224 2.009 19.445 747 2HE LYS 14 HE1 LYS 14 0.719 2.290 17.779 748 1HZ LYS 14 HZ1 LYS 14 1.602 -0.385 18.684 749 2HZ LYS 14 HZ2 LYS 14 0.652 0.017 17.330 750 3HZ LYS 14 HZ3 LYS 14 0.002 0.136 18.890 751 H ILE 15 HN ILE 15 4.404 2.561 13.313 752 HA ILE 15 HA ILE 15 1.713 2.210 12.638 753 HB ILE 15 HB ILE 15 3.886 3.507 10.979 754 1HG1 ILE 15 HG12 ILE 15 1.868 4.760 12.852 755 2HG1 ILE 15 HG11 ILE 15 3.546 4.441 13.276 756 1HG2 ILE 15 HG21 ILE 15 0.891 3.831 10.802 757 2HG2 ILE 15 HG22 ILE 15 1.893 2.937 9.659 758 3HG2 ILE 15 HG23 ILE 15 2.097 4.680 9.833 759 1HD1 ILE 15 HD11 ILE 15 2.600 6.279 11.089 760 2HD1 ILE 15 HD12 ILE 15 4.280 5.959 11.516 761 3HD1 ILE 15 HD13 ILE 15 3.216 6.764 12.668 762 H ILE 16 HN ILE 16 4.643 1.151 10.926 763 HA ILE 16 HA ILE 16 3.331 -0.088 8.766 764 HB ILE 16 HB ILE 16 6.017 -0.818 9.950 765 1HG1 ILE 16 HG12 ILE 16 5.338 1.118 7.723 766 2HG1 ILE 16 HG11 ILE 16 5.811 1.581 9.353 767 1HG2 ILE 16 HG21 ILE 16 4.842 -1.330 7.219 768 2HG2 ILE 16 HG22 ILE 16 5.213 -2.536 8.451 769 3HG2 ILE 16 HG23 ILE 16 6.517 -1.638 7.673 770 1HD1 ILE 16 HD11 ILE 16 7.519 0.066 7.392 771 2HD1 ILE 16 HD12 ILE 16 7.996 0.559 9.017 772 3HD1 ILE 16 HD13 ILE 16 7.661 1.778 7.787 773 H GLN 17 HN GLN 17 4.490 -1.398 11.857 774 HA GLN 17 HA GLN 17 3.796 -4.083 11.332 775 1HB GLN 17 HB2 GLN 17 5.391 -3.365 13.091 776 2HB GLN 17 HB1 GLN 17 4.050 -2.694 14.008 777 1HG GLN 17 HG2 GLN 17 4.748 -4.865 14.865 778 2HG GLN 17 HG1 GLN 17 3.087 -4.895 14.273 779 1HE2 GLN 17 HE21 GLN 17 2.577 -6.106 12.487 780 2HE2 GLN 17 HE22 GLN 17 3.662 -7.265 11.793 781 H ASP 18 HN ASP 18 2.067 -1.445 12.934 782 HA ASP 18 HA ASP 18 -0.173 -2.857 13.828 783 1HB ASP 18 HB2 ASP 18 0.626 -0.127 13.610 784 2HB ASP 18 HB1 ASP 18 -1.005 -0.270 12.964 785 H LEU 19 HN LEU 19 0.450 -1.264 10.726 786 HA LEU 19 HA LEU 19 -2.041 -1.839 9.537 787 1HB LEU 19 HB2 LEU 19 0.658 -1.485 8.230 788 2HB LEU 19 HB1 LEU 19 -0.880 -1.460 7.392 789 HG LEU 19 HG LEU 19 -0.019 0.531 9.493 790 1HD1 LEU 19 HD11 LEU 19 -0.203 0.805 6.496 791 2HD1 LEU 19 HD12 LEU 19 1.284 0.739 7.441 792 3HD1 LEU 19 HD13 LEU 19 0.176 2.098 7.633 793 1HD2 LEU 19 HD21 LEU 19 -1.998 1.782 8.777 794 2HD2 LEU 19 HD22 LEU 19 -2.434 0.204 9.432 795 3HD2 LEU 19 HD23 LEU 19 -2.437 0.465 7.689 796 H LEU 20 HN LEU 20 1.030 -3.606 9.575 797 HA LEU 20 HA LEU 20 0.285 -5.706 7.869 798 1HB LEU 20 HB2 LEU 20 2.239 -5.653 10.167 799 2HB LEU 20 HB1 LEU 20 2.081 -6.996 9.051 800 HG LEU 20 HG LEU 20 2.884 -4.189 8.281 801 1HD1 LEU 20 HD11 LEU 20 4.605 -5.264 9.612 802 2HD1 LEU 20 HD12 LEU 20 5.107 -5.164 7.924 803 3HD1 LEU 20 HD13 LEU 20 4.533 -6.696 8.584 804 1HD2 LEU 20 HD21 LEU 20 1.738 -5.338 6.480 805 2HD2 LEU 20 HD22 LEU 20 2.775 -6.749 6.691 806 3HD2 LEU 20 HD23 LEU 20 3.462 -5.226 6.127 807 H ASP 21 HN ASP 21 -0.116 -5.264 11.349 808 HA ASP 21 HA ASP 21 -1.125 -7.867 11.843 809 1HB ASP 21 HB2 ASP 21 -1.217 -5.302 13.405 810 2HB ASP 21 HB1 ASP 21 -2.094 -6.729 13.954 811 H VAL 22 HN VAL 22 -2.679 -4.808 11.007 812 HA VAL 22 HA VAL 22 -5.347 -5.654 11.248 813 HB VAL 22 HB VAL 22 -4.144 -3.665 9.309 814 1HG1 VAL 22 HG11 VAL 22 -6.420 -2.795 9.035 815 2HG1 VAL 22 HG12 VAL 22 -7.041 -4.121 10.020 816 3HG1 VAL 22 HG13 VAL 22 -6.284 -4.458 8.463 817 1HG2 VAL 22 HG21 VAL 22 -3.846 -3.070 11.652 818 2HG2 VAL 22 HG22 VAL 22 -5.577 -3.269 11.931 819 3HG2 VAL 22 HG23 VAL 22 -4.996 -1.988 10.867 820 H LEU 23 HN LEU 23 -3.057 -5.886 8.568 821 HA LEU 23 HA LEU 23 -4.772 -7.005 6.662 822 1HB LEU 23 HB2 LEU 23 -1.804 -7.429 7.035 823 2HB LEU 23 HB1 LEU 23 -2.707 -7.836 5.588 824 HG LEU 23 HG LEU 23 -2.394 -5.040 6.689 825 1HD1 LEU 23 HD11 LEU 23 -0.281 -5.933 5.844 826 2HD1 LEU 23 HD12 LEU 23 -0.912 -4.659 4.800 827 3HD1 LEU 23 HD13 LEU 23 -1.067 -6.348 4.320 828 1HD2 LEU 23 HD21 LEU 23 -3.568 -6.030 4.092 829 2HD2 LEU 23 HD22 LEU 23 -3.360 -4.341 4.559 830 3HD2 LEU 23 HD23 LEU 23 -4.477 -5.372 5.453 831 H VAL 24 HN VAL 24 -2.738 -8.550 9.122 832 HA VAL 24 HA VAL 24 -3.452 -11.219 8.451 833 HB VAL 24 HB VAL 24 -2.474 -10.119 11.096 834 1HG1 VAL 24 HG11 VAL 24 -2.518 -12.951 10.064 835 2HG1 VAL 24 HG12 VAL 24 -3.525 -12.298 11.356 836 3HG1 VAL 24 HG13 VAL 24 -1.777 -12.416 11.572 837 1HG2 VAL 24 HG21 VAL 24 -0.924 -9.665 9.269 838 2HG2 VAL 24 HG22 VAL 24 -0.945 -11.369 8.816 839 3HG2 VAL 24 HG23 VAL 24 -0.267 -10.877 10.368 840 H LYS 25 HN LYS 25 -4.704 -8.843 10.712 841 HA LYS 25 HA LYS 25 -6.576 -10.339 12.099 842 1HB LYS 25 HB2 LYS 25 -6.183 -8.193 12.904 843 2HB LYS 25 HB1 LYS 25 -6.360 -7.453 11.323 844 1HG LYS 25 HG2 LYS 25 -8.759 -7.734 11.422 845 2HG LYS 25 HG1 LYS 25 -8.619 -8.592 12.959 846 1HD LYS 25 HD2 LYS 25 -7.909 -6.654 14.096 847 2HD LYS 25 HD1 LYS 25 -7.563 -5.801 12.592 848 1HE LYS 25 HE2 LYS 25 -10.330 -6.661 13.409 849 2HE LYS 25 HE1 LYS 25 -9.648 -5.084 13.806 850 1HZ LYS 25 HZ1 LYS 25 -11.005 -5.026 11.789 851 2HZ LYS 25 HZ2 LYS 25 -9.983 -6.156 11.051 852 3HZ LYS 25 HZ3 LYS 25 -9.394 -4.612 11.465 853 H GLU 26 HN GLU 26 -6.919 -8.701 8.979 854 HA GLU 26 HA GLU 26 -9.669 -9.578 8.731 855 1HB GLU 26 HB2 GLU 26 -7.898 -8.136 6.756 856 2HB GLU 26 HB1 GLU 26 -9.631 -8.388 6.590 857 1HG GLU 26 HG2 GLU 26 -8.280 -6.778 8.744 858 2HG GLU 26 HG1 GLU 26 -9.120 -6.130 7.336 859 H GLU 27 HN GLU 27 -6.746 -11.017 8.267 860 HA GLU 27 HA GLU 27 -5.927 -12.780 7.098 861 1HB GLU 27 HB2 GLU 27 -8.866 -13.390 6.805 862 2HB GLU 27 HB1 GLU 27 -7.586 -14.481 6.296 863 1HG GLU 27 HG2 GLU 27 -6.772 -14.355 8.712 864 2HG GLU 27 HG1 GLU 27 -8.353 -13.648 9.064 865 H VAL 28 HN VAL 28 -6.063 -10.407 5.665 866 HA VAL 28 HA VAL 28 -7.401 -10.620 3.201 867 HB VAL 28 HB VAL 28 -5.975 -8.812 2.402 868 1HG1 VAL 28 HG11 VAL 28 -6.547 -7.136 4.052 869 2HG1 VAL 28 HG12 VAL 28 -6.775 -8.385 5.273 870 3HG1 VAL 28 HG13 VAL 28 -7.860 -8.303 3.888 871 1HG2 VAL 28 HG21 VAL 28 -4.407 -9.184 4.955 872 2HG2 VAL 28 HG22 VAL 28 -4.176 -7.893 3.776 873 3HG2 VAL 28 HG23 VAL 28 -3.837 -9.565 3.330 874 H THR 29 HN THR 29 -6.961 -11.713 1.399 875 HA THR 29 HA THR 29 -4.610 -13.310 1.141 876 HB THR 29 HB THR 29 -5.506 -13.510 -1.292 877 HG1 THR 29 HG1 THR 29 -7.304 -12.466 -1.735 878 1HG2 THR 29 HG21 THR 29 -5.762 -15.268 0.377 879 2HG2 THR 29 HG22 THR 29 -7.234 -15.111 -0.582 880 3HG2 THR 29 HG23 THR 29 -7.169 -14.445 1.051 881 HA PRO 30 HA PRO 30 -1.587 -10.565 -0.436 882 1HB PRO 30 HB2 PRO 30 -1.509 -12.348 -2.836 883 2HB PRO 30 HB1 PRO 30 -0.175 -11.721 -1.857 884 1HG PRO 30 HG2 PRO 30 -0.997 -14.225 -1.542 885 2HG PRO 30 HG1 PRO 30 -0.554 -13.240 -0.136 886 1HD PRO 30 HD2 PRO 30 -3.245 -14.062 -1.101 887 2HD PRO 30 HD1 PRO 30 -2.672 -13.778 0.555 888 H ASP 31 HN ASP 31 -3.606 -11.736 -3.141 889 HA ASP 31 HA ASP 31 -3.345 -9.410 -4.701 890 1HB ASP 31 HB2 ASP 31 -5.404 -11.619 -4.721 891 2HB ASP 31 HB1 ASP 31 -5.358 -10.334 -5.924 892 H LEU 32 HN LEU 32 -5.784 -10.398 -2.345 893 HA LEU 32 HA LEU 32 -7.541 -8.227 -2.641 894 1HB LEU 32 HB2 LEU 32 -8.242 -10.156 -1.413 895 2HB LEU 32 HB1 LEU 32 -6.896 -10.012 -0.300 896 HG LEU 32 HG LEU 32 -7.895 -7.893 0.556 897 1HD1 LEU 32 HD11 LEU 32 -9.224 -7.328 -1.425 898 2HD1 LEU 32 HD12 LEU 32 -10.202 -7.370 0.042 899 3HD1 LEU 32 HD13 LEU 32 -10.274 -8.709 -1.104 900 1HD2 LEU 32 HD21 LEU 32 -8.225 -9.990 1.732 901 2HD2 LEU 32 HD22 LEU 32 -9.626 -10.353 0.725 902 3HD2 LEU 32 HD23 LEU 32 -9.672 -8.987 1.840 903 H ALA 33 HN ALA 33 -4.727 -8.724 -0.559 904 HA ALA 33 HA ALA 33 -4.836 -6.338 0.884 905 1HB ALA 33 HB1 ALA 33 -3.364 -8.219 1.464 906 2HB ALA 33 HB2 ALA 33 -2.477 -6.697 1.364 907 3HB ALA 33 HB3 ALA 33 -2.372 -7.867 0.048 908 H LEU 34 HN LEU 34 -3.402 -7.075 -2.256 909 HA LEU 34 HA LEU 34 -2.152 -4.605 -2.718 910 1HB LEU 34 HB2 LEU 34 -3.438 -6.437 -4.748 911 2HB LEU 34 HB1 LEU 34 -2.269 -5.177 -5.097 912 HG LEU 34 HG LEU 34 -1.738 -7.678 -3.488 913 1HD1 LEU 34 HD11 LEU 34 -0.892 -6.862 -6.261 914 2HD1 LEU 34 HD12 LEU 34 -2.002 -8.165 -5.836 915 3HD1 LEU 34 HD13 LEU 34 -0.299 -8.276 -5.392 916 1HD2 LEU 34 HD21 LEU 34 0.598 -6.972 -3.528 917 2HD2 LEU 34 HD22 LEU 34 -0.408 -5.786 -2.696 918 3HD2 LEU 34 HD23 LEU 34 0.142 -5.477 -4.344 919 H MET 35 HN MET 35 -5.436 -5.714 -3.443 920 HA MET 35 HA MET 35 -6.317 -3.344 -4.711 921 1HB MET 35 HB2 MET 35 -7.477 -5.494 -4.934 922 2HB MET 35 HB1 MET 35 -7.909 -5.443 -3.232 923 1HG MET 35 HG2 MET 35 -9.325 -3.550 -3.574 924 2HG MET 35 HG1 MET 35 -8.770 -3.379 -5.239 925 1HE MET 35 HE1 MET 35 -9.558 -6.745 -3.391 926 2HE MET 35 HE2 MET 35 -11.259 -6.988 -3.789 927 3HE MET 35 HE3 MET 35 -10.783 -5.664 -2.723 928 H CYS 36 HN CYS 36 -6.518 -4.435 -1.336 929 HA CYS 36 HA CYS 36 -7.970 -2.172 -0.436 930 1HB CYS 36 HB2 CYS 36 -6.211 -4.099 1.086 931 2HB CYS 36 HB1 CYS 36 -7.285 -2.918 1.829 932 HG CYS 36 HG CYS 36 -9.595 -4.114 1.269 933 H LEU 37 HN LEU 37 -4.500 -2.990 -0.205 934 HA LEU 37 HA LEU 37 -3.745 -0.605 1.091 935 1HB LEU 37 HB2 LEU 37 -2.142 -2.512 -0.611 936 2HB LEU 37 HB1 LEU 37 -1.435 -1.178 0.280 937 HG LEU 37 HG LEU 37 -2.958 -3.455 1.554 938 1HD1 LEU 37 HD11 LEU 37 -0.743 -4.218 2.312 939 2HD1 LEU 37 HD12 LEU 37 0.011 -2.985 1.301 940 3HD1 LEU 37 HD13 LEU 37 -0.917 -4.290 0.559 941 1HD2 LEU 37 HD21 LEU 37 -3.018 -1.390 2.844 942 2HD2 LEU 37 HD22 LEU 37 -1.262 -1.254 2.730 943 3HD2 LEU 37 HD23 LEU 37 -1.987 -2.588 3.628 944 H GLY 38 HN GLY 38 -3.654 -1.538 -2.342 945 1HA GLY 38 HA2 GLY 38 -2.498 0.838 -3.304 946 2HA GLY 38 HA1 GLY 38 -3.472 -0.276 -4.252 947 H ASN 39 HN ASN 39 -5.868 -0.047 -2.784 948 HA ASN 39 HA ASN 39 -6.990 2.266 -3.968 949 1HB ASN 39 HB2 ASN 39 -8.103 0.025 -3.318 950 2HB ASN 39 HB1 ASN 39 -8.256 0.725 -1.713 951 1HD2 ASN 39 HD21 ASN 39 -10.223 -0.092 -3.762 952 2HD2 ASN 39 HD22 ASN 39 -11.245 1.287 -3.986 953 H ALA 40 HN ALA 40 -6.042 1.434 -0.671 954 HA ALA 40 HA ALA 40 -6.854 3.794 0.605 955 1HB ALA 40 HB1 ALA 40 -4.520 2.003 1.279 956 2HB ALA 40 HB2 ALA 40 -6.181 1.791 1.832 957 3HB ALA 40 HB3 ALA 40 -5.251 3.196 2.353 958 H VAL 41 HN VAL 41 -3.723 2.927 -0.868 959 HA VAL 41 HA VAL 41 -2.413 5.360 -0.399 960 HB VAL 41 HB VAL 41 -2.029 3.520 -2.772 961 1HG1 VAL 41 HG11 VAL 41 0.232 4.454 -2.853 962 2HG1 VAL 41 HG12 VAL 41 -0.180 5.561 -1.542 963 3HG1 VAL 41 HG13 VAL 41 -0.995 5.697 -3.101 964 1HG2 VAL 41 HG21 VAL 41 -1.804 2.321 -0.657 965 2HG2 VAL 41 HG22 VAL 41 -0.637 3.520 -0.097 966 3HG2 VAL 41 HG23 VAL 41 -0.248 2.482 -1.472 967 H THR 42 HN THR 42 -4.433 4.303 -3.101 968 HA THR 42 HA THR 42 -4.179 6.540 -4.752 969 HB THR 42 HB THR 42 -6.606 4.763 -4.383 970 HG1 THR 42 HG1 THR 42 -4.748 3.582 -4.979 971 1HG2 THR 42 HG21 THR 42 -7.117 6.850 -5.583 972 2HG2 THR 42 HG22 THR 42 -7.212 5.446 -6.645 973 3HG2 THR 42 HG23 THR 42 -5.807 6.509 -6.715 974 H ASN 43 HN ASN 43 -6.333 5.910 -2.028 975 HA ASN 43 HA ASN 43 -7.894 8.274 -2.383 976 1HB ASN 43 HB2 ASN 43 -8.565 6.112 -1.176 977 2HB ASN 43 HB1 ASN 43 -7.632 6.718 0.188 978 1HD2 ASN 43 HD21 ASN 43 -9.453 6.843 1.492 979 2HD2 ASN 43 HD22 ASN 43 -10.671 8.059 1.277 980 H ILE 44 HN ILE 44 -4.807 7.713 -1.125 981 HA ILE 44 HA ILE 44 -4.828 10.113 0.542 982 HB ILE 44 HB ILE 44 -2.631 8.094 0.037 983 1HG1 ILE 44 HG12 ILE 44 -4.372 8.583 2.463 984 2HG1 ILE 44 HG11 ILE 44 -4.532 7.230 1.348 985 1HG2 ILE 44 HG21 ILE 44 -1.693 10.295 0.514 986 2HG2 ILE 44 HG22 ILE 44 -1.424 9.190 1.864 987 3HG2 ILE 44 HG23 ILE 44 -2.691 10.415 1.963 988 1HD1 ILE 44 HD11 ILE 44 -2.162 7.792 3.117 989 2HD1 ILE 44 HD12 ILE 44 -2.323 6.433 2.005 990 3HD1 ILE 44 HD13 ILE 44 -3.404 6.570 3.392 991 H ILE 45 HN ILE 45 -3.260 8.821 -2.372 992 HA ILE 45 HA ILE 45 -1.758 11.171 -2.928 993 HB ILE 45 HB ILE 45 -2.626 9.005 -4.857 994 1HG1 ILE 45 HG12 ILE 45 -0.084 9.284 -3.236 995 2HG1 ILE 45 HG11 ILE 45 -1.366 8.116 -2.932 996 1HG2 ILE 45 HG21 ILE 45 -0.411 11.045 -5.043 997 2HG2 ILE 45 HG22 ILE 45 -1.886 11.012 -6.009 998 3HG2 ILE 45 HG23 ILE 45 -0.687 9.729 -6.185 999 1HD1 ILE 45 HD11 ILE 45 -0.919 7.070 -5.089 1000 2HD1 ILE 45 HD12 ILE 45 0.517 7.089 -4.065 1001 3HD1 ILE 45 HD13 ILE 45 0.365 8.241 -5.393 1002 H ALA 46 HN ALA 46 -5.041 10.254 -3.498 1003 HA ALA 46 HA ALA 46 -5.611 12.146 -5.549 1004 1HB ALA 46 HB1 ALA 46 -7.948 11.682 -5.074 1005 2HB ALA 46 HB2 ALA 46 -7.502 10.860 -3.579 1006 3HB ALA 46 HB3 ALA 46 -7.022 10.181 -5.135 1007 H GLN 47 HN GLN 47 -4.946 12.496 -2.256 1008 HA GLN 47 HA GLN 47 -6.634 14.791 -1.791 1009 1HB GLN 47 HB2 GLN 47 -4.371 13.642 -0.150 1010 2HB GLN 47 HB1 GLN 47 -5.460 14.918 0.378 1011 1HG GLN 47 HG2 GLN 47 -7.339 13.407 0.276 1012 2HG GLN 47 HG1 GLN 47 -6.306 12.125 -0.359 1013 1HE2 GLN 47 HE21 GLN 47 -6.746 10.743 1.332 1014 2HE2 GLN 47 HE22 GLN 47 -6.140 11.001 2.932 1015 H VAL 48 HN VAL 48 -3.267 14.175 -2.632 1016 HA VAL 48 HA VAL 48 -2.451 16.895 -2.230 1017 HB VAL 48 HB VAL 48 -0.356 16.282 -3.323 1018 1HG1 VAL 48 HG11 VAL 48 -1.293 14.161 -1.396 1019 2HG1 VAL 48 HG12 VAL 48 -0.645 15.742 -0.961 1020 3HG1 VAL 48 HG13 VAL 48 0.388 14.556 -1.761 1021 1HG2 VAL 48 HG21 VAL 48 -1.676 13.634 -3.885 1022 2HG2 VAL 48 HG22 VAL 48 0.033 13.992 -4.124 1023 3HG2 VAL 48 HG23 VAL 48 -1.185 14.835 -5.079 1024 HA PRO 49 HA PRO 49 -3.770 18.821 -5.969 1025 1HB PRO 49 HB2 PRO 49 -1.525 20.322 -6.564 1026 2HB PRO 49 HB1 PRO 49 -2.768 20.791 -5.402 1027 1HG PRO 49 HG2 PRO 49 -0.112 19.512 -4.920 1028 2HG PRO 49 HG1 PRO 49 -0.926 20.790 -3.999 1029 1HD PRO 49 HD2 PRO 49 -0.891 18.256 -3.135 1030 2HD PRO 49 HD1 PRO 49 -2.319 19.289 -2.909 1031 H GLU 50 HN GLU 50 -3.523 18.740 -8.222 1032 HA GLU 50 HA GLU 50 -2.323 16.352 -9.150 1033 1HB GLU 50 HB2 GLU 50 -3.353 18.622 -10.851 1034 2HB GLU 50 HB1 GLU 50 -3.194 16.931 -11.312 1035 1HG GLU 50 HG2 GLU 50 -4.843 16.424 -9.454 1036 2HG GLU 50 HG1 GLU 50 -5.145 18.157 -9.392 1037 H SER 51 HN SER 51 -0.982 19.369 -8.599 1038 HA SER 51 HA SER 51 0.928 19.471 -10.693 1039 1HB SER 51 HB2 SER 51 0.311 21.451 -9.343 1040 2HB SER 51 HB1 SER 51 1.054 20.708 -7.928 1041 HG SER 51 HG SER 51 2.328 22.287 -9.283 1042 H LYS 52 HN LYS 52 0.787 17.798 -7.619 1043 HA LYS 52 HA LYS 52 3.473 16.714 -8.181 1044 1HB LYS 52 HB2 LYS 52 3.786 16.406 -5.757 1045 2HB LYS 52 HB1 LYS 52 3.567 18.096 -6.180 1046 1HG LYS 52 HG2 LYS 52 1.344 18.106 -5.346 1047 2HG LYS 52 HG1 LYS 52 1.342 16.352 -5.164 1048 1HD LYS 52 HD2 LYS 52 1.636 17.476 -3.007 1049 2HD LYS 52 HD1 LYS 52 3.054 16.519 -3.433 1050 1HE LYS 52 HE2 LYS 52 4.208 18.528 -4.177 1051 2HE LYS 52 HE1 LYS 52 2.779 19.497 -3.820 1052 1HZ LYS 52 HZ1 LYS 52 3.006 18.935 -1.484 1053 2HZ LYS 52 HZ2 LYS 52 4.442 19.636 -2.059 1054 3HZ LYS 52 HZ3 LYS 52 4.356 17.962 -1.819 1055 H ARG 53 HN ARG 53 0.279 16.010 -8.173 1056 HA ARG 53 HA ARG 53 0.063 13.638 -6.704 1057 1HB ARG 53 HB2 ARG 53 -1.846 14.983 -7.544 1058 2HB ARG 53 HB1 ARG 53 -1.487 14.426 -9.172 1059 1HG ARG 53 HG2 ARG 53 -1.996 12.154 -8.559 1060 2HG ARG 53 HG1 ARG 53 -2.220 12.626 -6.873 1061 1HD ARG 53 HD2 ARG 53 -3.864 13.635 -9.191 1062 2HD ARG 53 HD1 ARG 53 -4.351 12.346 -8.089 1063 HE ARG 53 HE ARG 53 -3.812 14.414 -6.422 1064 1HH1 ARG 53 HH11 ARG 53 -5.809 14.097 -9.280 1065 2HH1 ARG 53 HH12 ARG 53 -6.958 15.284 -8.770 1066 1HH2 ARG 53 HH21 ARG 53 -5.317 15.985 -5.743 1067 2HH2 ARG 53 HH22 ARG 53 -6.680 16.362 -6.747 1068 H VAL 54 HN VAL 54 1.015 14.201 -10.057 1069 HA VAL 54 HA VAL 54 1.078 11.423 -10.744 1070 HB VAL 54 HB VAL 54 2.456 13.715 -12.154 1071 1HG1 VAL 54 HG11 VAL 54 3.263 11.541 -12.854 1072 2HG1 VAL 54 HG12 VAL 54 2.295 12.276 -14.133 1073 3HG1 VAL 54 HG13 VAL 54 1.611 10.992 -13.134 1074 1HG2 VAL 54 HG21 VAL 54 0.092 14.201 -11.910 1075 2HG2 VAL 54 HG22 VAL 54 -0.322 12.617 -12.567 1076 3HG2 VAL 54 HG23 VAL 54 0.473 13.817 -13.587 1077 H ALA 55 HN ALA 55 3.447 13.833 -9.737 1078 HA ALA 55 HA ALA 55 5.754 12.243 -10.029 1079 1HB ALA 55 HB1 ALA 55 5.245 14.514 -8.108 1080 2HB ALA 55 HB2 ALA 55 5.864 14.662 -9.753 1081 3HB ALA 55 HB3 ALA 55 6.824 13.845 -8.520 1082 H VAL 56 HN VAL 56 3.645 12.823 -7.226 1083 HA VAL 56 HA VAL 56 5.108 11.336 -5.363 1084 HB VAL 56 HB VAL 56 2.157 11.986 -5.461 1085 1HG1 VAL 56 HG11 VAL 56 2.065 11.378 -3.093 1086 2HG1 VAL 56 HG12 VAL 56 3.729 10.801 -3.176 1087 3HG1 VAL 56 HG13 VAL 56 2.466 9.988 -4.101 1088 1HG2 VAL 56 HG21 VAL 56 4.428 13.147 -3.852 1089 2HG2 VAL 56 HG22 VAL 56 2.739 13.648 -3.770 1090 3HG2 VAL 56 HG23 VAL 56 3.664 13.898 -5.251 1091 H VAL 57 HN VAL 57 2.323 10.301 -7.373 1092 HA VAL 57 HA VAL 57 2.270 7.685 -6.308 1093 HB VAL 57 HB VAL 57 0.334 8.610 -7.498 1094 1HG1 VAL 57 HG11 VAL 57 1.989 8.285 -9.995 1095 2HG1 VAL 57 HG12 VAL 57 1.475 9.812 -9.278 1096 3HG1 VAL 57 HG13 VAL 57 0.275 8.701 -9.938 1097 1HG2 VAL 57 HG21 VAL 57 1.420 6.096 -8.758 1098 2HG2 VAL 57 HG22 VAL 57 -0.268 6.608 -8.773 1099 3HG2 VAL 57 HG23 VAL 57 0.515 6.201 -7.246 1100 H ASP 58 HN ASP 58 4.058 9.112 -8.980 1101 HA ASP 58 HA ASP 58 5.011 6.655 -10.043 1102 1HB ASP 58 HB2 ASP 58 5.077 8.722 -11.354 1103 2HB ASP 58 HB1 ASP 58 6.236 9.411 -10.220 1104 H ASN 59 HN ASN 59 6.364 9.001 -7.750 1105 HA ASN 59 HA ASN 59 8.816 7.741 -7.282 1106 1HB ASN 59 HB2 ASN 59 7.069 9.486 -5.558 1107 2HB ASN 59 HB1 ASN 59 8.574 8.822 -4.938 1108 1HD2 ASN 59 HD21 ASN 59 8.214 9.733 -8.281 1109 2HD2 ASN 59 HD22 ASN 59 9.221 11.134 -8.210 1110 H PHE 60 HN PHE 60 5.663 7.273 -5.799 1111 HA PHE 60 HA PHE 60 6.409 5.352 -3.889 1112 1HB PHE 60 HB2 PHE 60 4.242 6.612 -3.945 1113 2HB PHE 60 HB1 PHE 60 3.746 5.605 -5.304 1114 HD1 PHE 60 HD2 PHE 60 5.023 5.255 -1.817 1115 HD2 PHE 60 HD1 PHE 60 2.472 3.754 -4.872 1116 HE1 PHE 60 HE2 PHE 60 4.134 3.583 -0.250 1117 HE2 PHE 60 HE1 PHE 60 1.574 2.081 -3.306 1118 HZ PHE 60 HZ PHE 60 2.406 1.993 -0.995 1119 H THR 61 HN THR 61 5.062 4.971 -7.170 1120 HA THR 61 HA THR 61 5.059 2.160 -7.140 1121 HB THR 61 HB THR 61 4.938 2.337 -9.644 1122 HG1 THR 61 HG1 THR 61 5.942 4.751 -9.193 1123 1HG2 THR 61 HG21 THR 61 2.921 2.331 -8.281 1124 2HG2 THR 61 HG22 THR 61 2.732 3.416 -9.661 1125 3HG2 THR 61 HG23 THR 61 3.051 4.079 -8.059 1126 H LYS 62 HN LYS 62 7.513 4.480 -8.218 1127 HA LYS 62 HA LYS 62 9.293 2.592 -9.328 1128 1HB LYS 62 HB2 LYS 62 9.426 5.052 -9.681 1129 2HB LYS 62 HB1 LYS 62 9.971 5.230 -8.018 1130 1HG LYS 62 HG2 LYS 62 11.927 3.794 -8.566 1131 2HG LYS 62 HG1 LYS 62 11.400 3.806 -10.251 1132 1HD LYS 62 HD2 LYS 62 11.572 6.265 -10.259 1133 2HD LYS 62 HD1 LYS 62 12.166 6.212 -8.599 1134 1HE LYS 62 HE2 LYS 62 13.488 4.977 -11.012 1135 2HE LYS 62 HE1 LYS 62 14.015 6.428 -10.162 1136 1HZ LYS 62 HZ1 LYS 62 13.946 3.668 -9.062 1137 2HZ LYS 62 HZ2 LYS 62 14.366 5.052 -8.175 1138 3HZ LYS 62 HZ3 LYS 62 15.329 4.555 -9.475 1139 H ALA 63 HN ALA 63 9.075 4.011 -6.083 1140 HA ALA 63 HA ALA 63 11.335 2.764 -4.980 1141 1HB ALA 63 HB1 ALA 63 10.218 4.655 -3.915 1142 2HB ALA 63 HB2 ALA 63 10.350 3.292 -2.804 1143 3HB ALA 63 HB3 ALA 63 8.809 3.648 -3.584 1144 H LEU 64 HN LEU 64 8.005 1.693 -5.316 1145 HA LEU 64 HA LEU 64 8.133 -0.604 -3.709 1146 1HB LEU 64 HB2 LEU 64 6.466 0.133 -6.097 1147 2HB LEU 64 HB1 LEU 64 6.286 -1.415 -5.294 1148 HG LEU 64 HG LEU 64 5.958 1.239 -3.900 1149 1HD1 LEU 64 HD11 LEU 64 3.556 0.824 -4.049 1150 2HD1 LEU 64 HD12 LEU 64 3.860 -0.614 -5.023 1151 3HD1 LEU 64 HD13 LEU 64 4.276 0.981 -5.651 1152 1HD2 LEU 64 HD21 LEU 64 4.890 -0.114 -2.169 1153 2HD2 LEU 64 HD22 LEU 64 6.553 -0.636 -2.446 1154 3HD2 LEU 64 HD23 LEU 64 5.214 -1.576 -3.105 1155 H LYS 65 HN LYS 65 8.512 -0.341 -7.260 1156 HA LYS 65 HA LYS 65 9.083 -3.070 -7.635 1157 1HB LYS 65 HB2 LYS 65 9.879 -0.715 -9.356 1158 2HB LYS 65 HB1 LYS 65 9.950 -2.402 -9.850 1159 1HG LYS 65 HG2 LYS 65 7.489 -2.539 -9.446 1160 2HG LYS 65 HG1 LYS 65 7.498 -0.792 -9.193 1161 1HD LYS 65 HD2 LYS 65 8.428 -0.501 -11.460 1162 2HD LYS 65 HD1 LYS 65 8.332 -2.248 -11.702 1163 1HE LYS 65 HE2 LYS 65 5.898 -2.126 -11.293 1164 2HE LYS 65 HE1 LYS 65 6.032 -0.375 -11.170 1165 1HZ LYS 65 HZ1 LYS 65 6.979 -0.453 -13.485 1166 2HZ LYS 65 HZ2 LYS 65 5.333 -0.831 -13.342 1167 3HZ LYS 65 HZ3 LYS 65 6.466 -2.071 -13.557 1168 H GLN 66 HN GLN 66 11.209 -0.286 -7.164 1169 HA GLN 66 HA GLN 66 13.662 -1.598 -7.511 1170 1HB GLN 66 HB2 GLN 66 13.379 0.852 -7.421 1171 2HB GLN 66 HB1 GLN 66 13.007 0.741 -5.708 1172 1HG GLN 66 HG2 GLN 66 15.242 -0.064 -5.247 1173 2HG GLN 66 HG1 GLN 66 15.620 -0.055 -6.970 1174 1HE2 GLN 66 HE21 GLN 66 16.887 1.372 -4.760 1175 2HE2 GLN 66 HE22 GLN 66 16.787 3.053 -5.161 1176 H SER 67 HN SER 67 11.526 -1.338 -4.738 1177 HA SER 67 HA SER 67 13.375 -2.492 -2.878 1178 1HB SER 67 HB2 SER 67 11.586 -0.919 -2.193 1179 2HB SER 67 HB1 SER 67 10.380 -2.118 -2.648 1180 HG SER 67 HG SER 67 12.086 -3.315 -1.025 1181 H VAL 68 HN VAL 68 10.998 -3.713 -5.091 1182 HA VAL 68 HA VAL 68 10.853 -6.307 -3.808 1183 HB VAL 68 HB VAL 68 9.709 -5.337 -6.436 1184 1HG1 VAL 68 HG11 VAL 68 10.109 -7.751 -6.506 1185 2HG1 VAL 68 HG12 VAL 68 8.385 -7.391 -6.444 1186 3HG1 VAL 68 HG13 VAL 68 9.223 -7.946 -4.994 1187 1HG2 VAL 68 HG21 VAL 68 7.577 -5.388 -5.240 1188 2HG2 VAL 68 HG22 VAL 68 8.721 -4.290 -4.468 1189 3HG2 VAL 68 HG23 VAL 68 8.413 -5.879 -3.767 1190 H LEU 69 HN LEU 69 12.460 -4.821 -6.578 1191 HA LEU 69 HA LEU 69 13.519 -7.147 -7.738 1192 1HB LEU 69 HB2 LEU 69 14.636 -4.344 -7.612 1193 2HB LEU 69 HB1 LEU 69 15.328 -5.622 -8.593 1194 HG LEU 69 HG LEU 69 12.525 -4.543 -8.900 1195 1HD1 LEU 69 HD11 LEU 69 13.354 -3.495 -10.935 1196 2HD1 LEU 69 HD12 LEU 69 14.983 -4.069 -10.580 1197 3HD1 LEU 69 HD13 LEU 69 14.215 -2.890 -9.519 1198 1HD2 LEU 69 HD21 LEU 69 14.119 -6.460 -10.598 1199 2HD2 LEU 69 HD22 LEU 69 12.520 -5.820 -10.983 1200 3HD2 LEU 69 HD23 LEU 69 12.736 -6.872 -9.584 1201 H GLU 70 HN GLU 70 15.088 -4.913 -5.438 1202 HA GLU 70 HA GLU 70 16.897 -7.061 -4.626 1203 1HB GLU 70 HB2 GLU 70 17.815 -4.778 -5.036 1204 2HB GLU 70 HB1 GLU 70 16.824 -4.170 -3.719 1205 1HG GLU 70 HG2 GLU 70 19.108 -4.500 -2.989 1206 2HG GLU 70 HG1 GLU 70 18.024 -5.609 -2.150 1207 H HIS 71 HN HIS 71 14.762 -8.062 -3.947 1208 HA HIS 71 HA HIS 71 13.437 -7.059 -1.644 1209 1HB HIS 71 HB2 HIS 71 12.402 -9.385 -1.574 1210 2HB HIS 71 HB1 HIS 71 12.122 -8.436 -3.027 1211 HD1 HIS 71 HD1 HIS 71 13.153 -9.287 -5.220 1212 HD2 HIS 71 HD2 HIS 71 13.940 -11.710 -1.937 1213 HE1 HIS 71 HE1 HIS 71 14.042 -11.438 -6.167 1214 HE2 HIS 71 HE2 HIS 71 14.225 -12.971 -4.182 1215 H HIS 72 HN HIS 72 14.179 -6.993 0.302 1216 HA HIS 72 HA HIS 72 15.210 -7.486 2.256 1217 1HB HIS 72 HB2 HIS 72 14.233 -9.718 2.122 1218 2HB HIS 72 HB1 HIS 72 15.538 -10.252 1.069 1219 HD1 HIS 72 HD1 HIS 72 14.810 -9.368 4.652 1220 HD2 HIS 72 HD2 HIS 72 17.891 -10.955 2.358 1221 HE1 HIS 72 HE1 HIS 72 16.517 -10.201 6.295 1222 HE2 HIS 72 HE2 HIS 72 18.465 -10.944 4.878 1223 H HIS 73 HN HIS 73 17.042 -6.463 2.594 1224 HA HIS 73 HA HIS 73 19.154 -6.415 0.695 1225 1HB HIS 73 HB2 HIS 73 18.396 -4.819 2.815 1226 2HB HIS 73 HB1 HIS 73 19.882 -5.559 3.400 1227 HD1 HIS 73 HD1 HIS 73 21.755 -3.976 3.021 1228 HD2 HIS 73 HD2 HIS 73 19.042 -3.979 -0.142 1229 HE1 HIS 73 HE1 HIS 73 22.671 -2.356 1.326 1230 HE2 HIS 73 HE2 HIS 73 21.096 -2.479 -0.639 1231 H HIS 74 HN HIS 74 21.326 -7.203 0.949 1232 HA HIS 74 HA HIS 74 21.203 -9.915 1.948 1233 1HB HIS 74 HB2 HIS 74 23.422 -8.501 0.454 1234 2HB HIS 74 HB1 HIS 74 23.336 -10.231 0.773 1235 HD1 HIS 74 HD1 HIS 74 21.483 -11.580 -0.539 1236 HD2 HIS 74 HD2 HIS 74 21.928 -7.605 -1.682 1237 HE1 HIS 74 HE1 HIS 74 20.244 -11.351 -2.720 1238 HE2 HIS 74 HE2 HIS 74 20.282 -8.876 -3.213 1239 H HIS 75 HN HIS 75 21.399 -10.025 4.081 1240 HA HIS 75 HA HIS 75 22.431 -10.257 6.072 1241 1HB HIS 75 HB2 HIS 75 24.440 -10.920 4.782 1242 2HB HIS 75 HB1 HIS 75 24.937 -9.232 4.721 1243 HD1 HIS 75 HD1 HIS 75 24.078 -11.803 7.402 1244 HD2 HIS 75 HD2 HIS 75 26.626 -8.579 6.738 1245 HE1 HIS 75 HE1 HIS 75 25.561 -11.676 9.430 1246 HE2 HIS 75 HE2 HIS 75 27.216 -9.847 8.923 1247 H HIS 76 HN HIS 76 23.576 -7.279 4.507 1248 HA HIS 76 HA HIS 76 22.839 -5.841 6.964 1249 1HB HIS 76 HB2 HIS 76 24.656 -4.164 6.179 1250 2HB HIS 76 HB1 HIS 76 25.161 -5.651 6.971 1251 HD1 HIS 76 HD1 HIS 76 24.795 -4.261 3.454 1252 HD2 HIS 76 HD2 HIS 76 26.960 -7.107 5.565 1253 HE1 HIS 76 HE1 HIS 76 26.504 -5.150 1.834 1254 HE2 HIS 76 HE2 HIS 76 27.892 -6.771 3.179 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -17.675 -18.854 -7.511 2 2H MET 1 HT2 MET 1 -18.783 -18.159 -8.589 3 3H MET 1 HT3 MET 1 -17.576 -17.199 -7.881 4 HA MET 1 HA MET 1 -17.105 -19.456 -9.737 5 1HB MET 1 HB2 MET 1 -16.919 -16.468 -10.194 6 2HB MET 1 HB1 MET 1 -16.373 -17.691 -11.329 7 1HG MET 1 HG2 MET 1 -18.467 -16.946 -12.100 8 2HG MET 1 HG1 MET 1 -18.740 -18.534 -11.391 9 1HE MET 1 HE1 MET 1 -21.367 -18.009 -11.379 10 2HE MET 1 HE2 MET 1 -21.047 -16.414 -12.062 11 3HE MET 1 HE3 MET 1 -22.064 -16.570 -10.630 12 HA PRO 2 HA PRO 2 -12.987 -19.264 -8.035 13 1HB PRO 2 HB2 PRO 2 -12.100 -20.651 -10.455 14 2HB PRO 2 HB1 PRO 2 -12.135 -21.235 -8.788 15 1HG PRO 2 HG2 PRO 2 -13.792 -22.191 -10.700 16 2HG PRO 2 HG1 PRO 2 -14.265 -22.082 -8.994 17 1HD PRO 2 HD2 PRO 2 -14.951 -20.262 -11.272 18 2HD PRO 2 HD1 PRO 2 -15.984 -20.853 -9.953 19 H ILE 3 HN ILE 3 -14.043 -17.947 -10.973 20 HA ILE 3 HA ILE 3 -11.508 -16.795 -11.746 21 HB ILE 3 HB ILE 3 -14.270 -16.209 -12.836 22 1HG1 ILE 3 HG12 ILE 3 -12.158 -18.120 -13.870 23 2HG1 ILE 3 HG11 ILE 3 -13.636 -18.601 -13.043 24 1HG2 ILE 3 HG21 ILE 3 -13.057 -15.364 -14.790 25 2HG2 ILE 3 HG22 ILE 3 -11.524 -15.684 -13.980 26 3HG2 ILE 3 HG23 ILE 3 -12.630 -14.474 -13.330 27 1HD1 ILE 3 HD11 ILE 3 -13.898 -18.889 -15.409 28 2HD1 ILE 3 HD12 ILE 3 -13.431 -17.215 -15.705 29 3HD1 ILE 3 HD13 ILE 3 -14.941 -17.575 -14.867 30 H VAL 4 HN VAL 4 -10.926 -15.540 -10.015 31 HA VAL 4 HA VAL 4 -10.804 -13.744 -8.632 32 HB VAL 4 HB VAL 4 -12.201 -12.258 -10.855 33 1HG1 VAL 4 HG11 VAL 4 -11.858 -10.981 -8.804 34 2HG1 VAL 4 HG12 VAL 4 -10.837 -10.373 -10.108 35 3HG1 VAL 4 HG13 VAL 4 -10.139 -11.378 -8.838 36 1HG2 VAL 4 HG21 VAL 4 -10.408 -13.648 -11.785 37 2HG2 VAL 4 HG22 VAL 4 -9.270 -12.944 -10.634 38 3HG2 VAL 4 HG23 VAL 4 -10.013 -11.933 -11.872 39 H SER 5 HN SER 5 -12.346 -14.723 -7.164 40 HA SER 5 HA SER 5 -15.111 -14.226 -7.254 41 1HB SER 5 HB2 SER 5 -13.535 -14.728 -4.733 42 2HB SER 5 HB1 SER 5 -15.186 -15.223 -5.109 43 HG SER 5 HG SER 5 -14.336 -16.644 -6.684 44 H LYS 6 HN LYS 6 -12.444 -12.495 -5.775 45 HA LYS 6 HA LYS 6 -12.201 -10.364 -5.057 46 1HB LYS 6 HB2 LYS 6 -14.961 -10.014 -6.227 47 2HB LYS 6 HB1 LYS 6 -14.019 -8.696 -5.544 48 1HG LYS 6 HG2 LYS 6 -12.286 -9.035 -7.208 49 2HG LYS 6 HG1 LYS 6 -13.168 -10.414 -7.869 50 1HD LYS 6 HD2 LYS 6 -14.226 -7.590 -7.758 51 2HD LYS 6 HD1 LYS 6 -13.473 -8.326 -9.174 52 1HE LYS 6 HE2 LYS 6 -15.945 -9.362 -7.790 53 2HE LYS 6 HE1 LYS 6 -15.943 -8.374 -9.249 54 1HZ LYS 6 HZ1 LYS 6 -14.766 -11.091 -8.968 55 2HZ LYS 6 HZ2 LYS 6 -14.655 -10.129 -10.355 56 3HZ LYS 6 HZ3 LYS 6 -16.169 -10.682 -9.828 57 H TYR 7 HN TYR 7 -14.112 -12.549 -3.680 58 HA TYR 7 HA TYR 7 -15.023 -12.848 -1.622 59 1HB TYR 7 HB2 TYR 7 -13.470 -10.334 -0.952 60 2HB TYR 7 HB1 TYR 7 -14.173 -11.441 0.221 61 HD1 TYR 7 HD1 TYR 7 -13.185 -13.658 0.579 62 HD2 TYR 7 HD2 TYR 7 -11.442 -10.872 -2.119 63 HE1 TYR 7 HE1 TYR 7 -11.110 -14.977 0.567 64 HE2 TYR 7 HE2 TYR 7 -9.362 -12.179 -2.140 65 HH TYR 7 HH TYR 7 -9.165 -15.337 -0.851 66 H SER 8 HN SER 8 -15.792 -10.828 0.290 67 HA SER 8 HA SER 8 -18.188 -9.849 -1.033 68 1HB SER 8 HB2 SER 8 -18.725 -9.209 1.439 69 2HB SER 8 HB1 SER 8 -18.750 -10.911 0.973 70 HG SER 8 HG SER 8 -17.406 -9.928 2.926 71 H ASN 9 HN ASN 9 -18.519 -7.791 -1.543 72 HA ASN 9 HA ASN 9 -16.491 -5.909 -1.711 73 1HB ASN 9 HB2 ASN 9 -19.487 -5.512 -1.664 74 2HB ASN 9 HB1 ASN 9 -18.347 -4.225 -2.037 75 1HD2 ASN 9 HD21 ASN 9 -19.821 -7.166 -3.142 76 2HD2 ASN 9 HD22 ASN 9 -19.275 -7.055 -4.777 77 H GLU 10 HN GLU 10 -18.785 -6.451 0.850 78 HA GLU 10 HA GLU 10 -18.427 -4.140 2.376 79 1HB GLU 10 HB2 GLU 10 -20.226 -5.749 2.777 80 2HB GLU 10 HB1 GLU 10 -19.054 -6.967 3.254 81 1HG GLU 10 HG2 GLU 10 -18.372 -5.397 5.110 82 2HG GLU 10 HG1 GLU 10 -19.805 -4.451 4.706 83 H ARG 11 HN ARG 11 -16.889 -7.325 2.705 84 HA ARG 11 HA ARG 11 -15.195 -6.694 4.824 85 1HB ARG 11 HB2 ARG 11 -15.684 -8.996 4.075 86 2HB ARG 11 HB1 ARG 11 -14.748 -8.709 2.615 87 1HG ARG 11 HG2 ARG 11 -12.738 -8.391 3.953 88 2HG ARG 11 HG1 ARG 11 -13.669 -8.664 5.427 89 1HD ARG 11 HD2 ARG 11 -14.255 -10.919 4.567 90 2HD ARG 11 HD1 ARG 11 -13.188 -10.629 3.194 91 HE ARG 11 HE ARG 11 -11.747 -10.184 5.560 92 1HH1 ARG 11 HH11 ARG 11 -13.258 -12.830 3.825 93 2HH1 ARG 11 HH12 ARG 11 -12.154 -14.031 4.432 94 1HH2 ARG 11 HH21 ARG 11 -10.287 -11.761 6.363 95 2HH2 ARG 11 HH22 ARG 11 -10.476 -13.421 5.893 96 H VAL 12 HN VAL 12 -14.622 -6.579 1.325 97 HA VAL 12 HA VAL 12 -11.913 -5.978 1.355 98 HB VAL 12 HB VAL 12 -13.983 -5.039 -0.639 99 1HG1 VAL 12 HG11 VAL 12 -11.939 -3.729 -0.820 100 2HG1 VAL 12 HG12 VAL 12 -12.098 -4.818 -2.199 101 3HG1 VAL 12 HG13 VAL 12 -10.979 -5.206 -0.891 102 1HG2 VAL 12 HG21 VAL 12 -13.921 -7.471 -0.375 103 2HG2 VAL 12 HG22 VAL 12 -12.179 -7.464 -0.650 104 3HG2 VAL 12 HG23 VAL 12 -13.278 -6.988 -1.944 105 H GLU 13 HN GLU 13 -14.651 -3.646 1.261 106 HA GLU 13 HA GLU 13 -12.782 -1.466 1.505 107 1HB GLU 13 HB2 GLU 13 -15.784 -1.539 1.406 108 2HB GLU 13 HB1 GLU 13 -14.888 -0.052 1.691 109 1HG GLU 13 HG2 GLU 13 -13.598 -0.747 -0.464 110 2HG GLU 13 HG1 GLU 13 -15.023 -1.739 -0.762 111 H LYS 14 HN LYS 14 -14.477 -3.462 3.720 112 HA LYS 14 HA LYS 14 -14.414 -1.760 5.978 113 1HB LYS 14 HB2 LYS 14 -15.628 -3.855 6.085 114 2HB LYS 14 HB1 LYS 14 -14.161 -4.770 5.766 115 1HG LYS 14 HG2 LYS 14 -13.248 -3.888 7.925 116 2HG LYS 14 HG1 LYS 14 -14.844 -3.210 8.245 117 1HD LYS 14 HD2 LYS 14 -15.830 -5.426 8.147 118 2HD LYS 14 HD1 LYS 14 -14.259 -6.129 7.757 119 1HE LYS 14 HE2 LYS 14 -14.965 -4.677 10.307 120 2HE LYS 14 HE1 LYS 14 -14.832 -6.425 10.126 121 1HZ LYS 14 HZ1 LYS 14 -12.491 -6.180 9.605 122 2HZ LYS 14 HZ2 LYS 14 -12.834 -5.438 11.096 123 3HZ LYS 14 HZ3 LYS 14 -12.617 -4.493 9.711 124 H ILE 15 HN ILE 15 -12.106 -4.101 4.679 125 HA ILE 15 HA ILE 15 -10.055 -3.750 6.550 126 HB ILE 15 HB ILE 15 -9.759 -4.416 3.611 127 1HG1 ILE 15 HG12 ILE 15 -9.980 -6.337 5.935 128 2HG1 ILE 15 HG11 ILE 15 -11.364 -5.857 4.957 129 1HG2 ILE 15 HG21 ILE 15 -7.949 -5.018 5.950 130 2HG2 ILE 15 HG22 ILE 15 -7.655 -3.796 4.714 131 3HG2 ILE 15 HG23 ILE 15 -7.682 -5.503 4.275 132 1HD1 ILE 15 HD11 ILE 15 -10.327 -6.804 2.987 133 2HD1 ILE 15 HD12 ILE 15 -10.436 -8.008 4.271 134 3HD1 ILE 15 HD13 ILE 15 -8.895 -7.225 3.924 135 H ILE 16 HN ILE 16 -10.576 -2.197 3.401 136 HA ILE 16 HA ILE 16 -8.375 -0.500 3.365 137 HB ILE 16 HB ILE 16 -11.131 0.093 2.269 138 1HG1 ILE 16 HG12 ILE 16 -8.749 -1.194 0.915 139 2HG1 ILE 16 HG11 ILE 16 -10.168 -2.063 1.489 140 1HG2 ILE 16 HG21 ILE 16 -8.431 1.227 1.543 141 2HG2 ILE 16 HG22 ILE 16 -9.736 2.080 2.368 142 3HG2 ILE 16 HG23 ILE 16 -9.942 1.558 0.696 143 1HD1 ILE 16 HD11 ILE 16 -10.233 -1.658 -0.920 144 2HD1 ILE 16 HD12 ILE 16 -10.181 0.079 -0.621 145 3HD1 ILE 16 HD13 ILE 16 -11.567 -0.869 -0.080 146 H GLN 17 HN GLN 17 -11.642 0.128 4.638 147 HA GLN 17 HA GLN 17 -11.131 2.780 5.451 148 1HB GLN 17 HB2 GLN 17 -13.397 1.939 5.122 149 2HB GLN 17 HB1 GLN 17 -13.194 0.810 6.452 150 1HG GLN 17 HG2 GLN 17 -14.521 2.729 7.118 151 2HG GLN 17 HG1 GLN 17 -13.011 2.654 8.022 152 1HE2 GLN 17 HE21 GLN 17 -11.433 4.207 7.667 153 2HE2 GLN 17 HE22 GLN 17 -11.773 5.689 6.839 154 H ASP 18 HN ASP 18 -10.898 -0.312 7.166 155 HA ASP 18 HA ASP 18 -10.387 0.798 9.722 156 1HB ASP 18 HB2 ASP 18 -11.074 -1.606 9.145 157 2HB ASP 18 HB1 ASP 18 -9.372 -1.882 8.785 158 H LEU 19 HN LEU 19 -8.289 -0.184 7.060 159 HA LEU 19 HA LEU 19 -5.819 0.336 8.326 160 1HB LEU 19 HB2 LEU 19 -6.626 0.413 5.420 161 2HB LEU 19 HB1 LEU 19 -4.969 0.593 5.970 162 HG LEU 19 HG LEU 19 -6.666 -1.851 6.491 163 1HD1 LEU 19 HD11 LEU 19 -6.268 -1.582 4.102 164 2HD1 LEU 19 HD12 LEU 19 -5.331 -2.928 4.752 165 3HD1 LEU 19 HD13 LEU 19 -4.542 -1.389 4.403 166 1HD2 LEU 19 HD21 LEU 19 -3.714 -1.321 6.822 167 2HD2 LEU 19 HD22 LEU 19 -4.509 -2.878 7.058 168 3HD2 LEU 19 HD23 LEU 19 -4.893 -1.523 8.120 169 H LEU 20 HN LEU 20 -7.913 2.357 6.291 170 HA LEU 20 HA LEU 20 -6.305 4.657 6.292 171 1HB LEU 20 HB2 LEU 20 -9.300 4.383 6.051 172 2HB LEU 20 HB1 LEU 20 -8.426 5.877 5.771 173 HG LEU 20 HG LEU 20 -8.092 3.332 4.181 174 1HD1 LEU 20 HD11 LEU 20 -9.452 5.933 3.490 175 2HD1 LEU 20 HD12 LEU 20 -10.243 4.381 3.769 176 3HD1 LEU 20 HD13 LEU 20 -9.178 4.589 2.379 177 1HD2 LEU 20 HD21 LEU 20 -6.730 4.688 2.683 178 2HD2 LEU 20 HD22 LEU 20 -6.035 4.651 4.304 179 3HD2 LEU 20 HD23 LEU 20 -6.916 6.077 3.753 180 H ASP 21 HN ASP 21 -8.657 3.460 8.600 181 HA ASP 21 HA ASP 21 -8.898 5.805 10.146 182 1HB ASP 21 HB2 ASP 21 -10.409 3.806 10.285 183 2HB ASP 21 HB1 ASP 21 -9.120 2.967 11.142 184 H VAL 22 HN VAL 22 -6.737 3.005 10.400 185 HA VAL 22 HA VAL 22 -5.314 3.823 12.671 186 HB VAL 22 HB VAL 22 -4.263 2.278 10.286 187 1HG1 VAL 22 HG11 VAL 22 -2.597 1.398 11.872 188 2HG1 VAL 22 HG12 VAL 22 -3.205 2.507 13.102 189 3HG1 VAL 22 HG13 VAL 22 -2.447 3.140 11.641 190 1HG2 VAL 22 HG21 VAL 22 -4.756 0.284 11.617 191 2HG2 VAL 22 HG22 VAL 22 -6.216 1.213 11.281 192 3HG2 VAL 22 HG23 VAL 22 -5.466 1.297 12.875 193 H LEU 23 HN LEU 23 -4.857 4.550 9.250 194 HA LEU 23 HA LEU 23 -2.459 5.987 9.479 195 1HB LEU 23 HB2 LEU 23 -4.673 6.227 7.443 196 2HB LEU 23 HB1 LEU 23 -3.086 6.953 7.281 197 HG LEU 23 HG LEU 23 -3.606 3.984 7.470 198 1HD1 LEU 23 HD11 LEU 23 -2.891 5.689 5.088 199 2HD1 LEU 23 HD12 LEU 23 -4.459 4.939 5.388 200 3HD1 LEU 23 HD13 LEU 23 -3.042 3.931 5.102 201 1HD2 LEU 23 HD21 LEU 23 -1.427 4.625 8.348 202 2HD2 LEU 23 HD22 LEU 23 -1.088 5.536 6.877 203 3HD2 LEU 23 HD23 LEU 23 -1.257 3.782 6.809 204 H VAL 24 HN VAL 24 -5.845 7.123 9.534 205 HA VAL 24 HA VAL 24 -5.043 9.857 9.851 206 HB VAL 24 HB VAL 24 -7.204 9.228 8.796 207 1HG1 VAL 24 HG11 VAL 24 -9.115 8.630 10.177 208 2HG1 VAL 24 HG12 VAL 24 -8.078 8.562 11.602 209 3HG1 VAL 24 HG13 VAL 24 -7.848 7.408 10.289 210 1HG2 VAL 24 HG21 VAL 24 -8.533 11.001 9.848 211 2HG2 VAL 24 HG22 VAL 24 -6.855 11.485 9.603 212 3HG2 VAL 24 HG23 VAL 24 -7.413 11.019 11.210 213 H LYS 25 HN LYS 25 -5.907 7.231 12.013 214 HA LYS 25 HA LYS 25 -6.066 8.736 14.394 215 1HB LYS 25 HB2 LYS 25 -6.930 6.521 14.371 216 2HB LYS 25 HB1 LYS 25 -5.407 5.852 13.816 217 1HG LYS 25 HG2 LYS 25 -5.234 7.222 16.393 218 2HG LYS 25 HG1 LYS 25 -6.306 5.816 16.380 219 1HD LYS 25 HD2 LYS 25 -4.483 4.482 15.378 220 2HD LYS 25 HD1 LYS 25 -3.419 5.885 15.496 221 1HE LYS 25 HE2 LYS 25 -3.720 5.887 17.930 222 2HE LYS 25 HE1 LYS 25 -4.750 4.461 17.797 223 1HZ LYS 25 HZ1 LYS 25 -1.925 4.575 16.893 224 2HZ LYS 25 HZ2 LYS 25 -2.915 3.196 16.966 225 3HZ LYS 25 HZ3 LYS 25 -2.419 3.958 18.398 226 H GLU 26 HN GLU 26 -3.323 7.197 12.750 227 HA GLU 26 HA GLU 26 -1.405 8.090 14.697 228 1HB GLU 26 HB2 GLU 26 -1.053 7.044 11.883 229 2HB GLU 26 HB1 GLU 26 0.274 7.404 12.976 230 1HG GLU 26 HG2 GLU 26 -1.887 5.383 13.520 231 2HG GLU 26 HG1 GLU 26 -0.303 5.004 12.848 232 H GLU 27 HN GLU 27 -3.128 9.605 12.263 233 HA GLU 27 HA GLU 27 -3.074 11.649 11.279 234 1HB GLU 27 HB2 GLU 27 -1.074 12.228 13.473 235 2HB GLU 27 HB1 GLU 27 -1.801 13.447 12.437 236 1HG GLU 27 HG2 GLU 27 -3.993 12.933 13.311 237 2HG GLU 27 HG1 GLU 27 -3.320 11.626 14.286 238 H VAL 28 HN VAL 28 -1.565 9.727 10.025 239 HA VAL 28 HA VAL 28 1.110 10.654 9.560 240 HB VAL 28 HB VAL 28 1.282 8.895 7.888 241 1HG1 VAL 28 HG11 VAL 28 1.560 8.296 10.235 242 2HG1 VAL 28 HG12 VAL 28 0.867 6.962 9.312 243 3HG1 VAL 28 HG13 VAL 28 -0.163 7.942 10.355 244 1HG2 VAL 28 HG21 VAL 28 -0.605 7.416 7.378 245 2HG2 VAL 28 HG22 VAL 28 -0.932 9.077 6.884 246 3HG2 VAL 28 HG23 VAL 28 -1.664 8.435 8.353 247 H THR 29 HN THR 29 1.904 11.856 8.108 248 HA THR 29 HA THR 29 0.260 13.436 6.400 249 HB THR 29 HB THR 29 3.197 13.379 6.002 250 HG1 THR 29 HG1 THR 29 2.033 14.227 8.479 251 1HG2 THR 29 HG21 THR 29 1.855 15.167 5.086 252 2HG2 THR 29 HG22 THR 29 2.876 15.813 6.373 253 3HG2 THR 29 HG23 THR 29 1.165 15.498 6.673 254 HA PRO 30 HA PRO 30 -0.139 10.962 2.754 255 1HB PRO 30 HB2 PRO 30 1.076 13.375 1.448 256 2HB PRO 30 HB1 PRO 30 -0.299 12.391 0.928 257 1HG PRO 30 HG2 PRO 30 -0.710 14.704 2.161 258 2HG PRO 30 HG1 PRO 30 -1.721 13.293 2.532 259 1HD PRO 30 HD2 PRO 30 0.412 14.568 4.149 260 2HD PRO 30 HD1 PRO 30 -1.014 13.656 4.676 261 H ASP 31 HN ASP 31 2.880 12.875 2.754 262 HA ASP 31 HA ASP 31 4.346 11.177 1.072 263 1HB ASP 31 HB2 ASP 31 5.521 12.864 3.292 264 2HB ASP 31 HB1 ASP 31 6.298 12.374 1.792 265 H LEU 32 HN LEU 32 4.286 11.372 4.615 266 HA LEU 32 HA LEU 32 5.960 9.210 5.183 267 1HB LEU 32 HB2 LEU 32 5.349 10.772 6.906 268 2HB LEU 32 HB1 LEU 32 3.648 10.389 6.720 269 HG LEU 32 HG LEU 32 4.197 8.050 7.501 270 1HD1 LEU 32 HD11 LEU 32 6.258 7.732 8.751 271 2HD1 LEU 32 HD12 LEU 32 6.798 9.346 8.295 272 3HD1 LEU 32 HD13 LEU 32 6.595 8.103 7.061 273 1HD2 LEU 32 HD21 LEU 32 3.126 9.669 8.954 274 2HD2 LEU 32 HD22 LEU 32 4.697 10.336 9.397 275 3HD2 LEU 32 HD23 LEU 32 4.276 8.688 9.862 276 H ALA 33 HN ALA 33 2.469 9.382 4.682 277 HA ALA 33 HA ALA 33 1.824 6.749 5.362 278 1HB ALA 33 HB1 ALA 33 -0.233 7.089 4.131 279 2HB ALA 33 HB2 ALA 33 0.459 8.495 3.321 280 3HB ALA 33 HB3 ALA 33 0.162 8.536 5.060 281 H LEU 34 HN LEU 34 2.849 8.149 2.273 282 HA LEU 34 HA LEU 34 2.560 5.848 0.699 283 1HB LEU 34 HB2 LEU 34 4.596 8.068 0.471 284 2HB LEU 34 HB1 LEU 34 4.271 6.875 -0.772 285 HG LEU 34 HG LEU 34 2.302 8.930 0.247 286 1HD1 LEU 34 HD11 LEU 34 4.100 9.901 -1.096 287 2HD1 LEU 34 HD12 LEU 34 2.559 9.946 -1.950 288 3HD1 LEU 34 HD13 LEU 34 3.770 8.739 -2.380 289 1HD2 LEU 34 HD21 LEU 34 1.220 6.841 -0.450 290 2HD2 LEU 34 HD22 LEU 34 2.055 6.930 -2.000 291 3HD2 LEU 34 HD23 LEU 34 0.868 8.160 -1.567 292 H MET 35 HN MET 35 5.310 7.025 2.594 293 HA MET 35 HA MET 35 7.086 4.922 1.956 294 1HB MET 35 HB2 MET 35 7.777 7.090 2.945 295 2HB MET 35 HB1 MET 35 7.016 6.620 4.458 296 1HG MET 35 HG2 MET 35 8.575 4.832 4.766 297 2HG MET 35 HG1 MET 35 9.254 5.086 3.160 298 1HE MET 35 HE1 MET 35 8.179 7.871 5.715 299 2HE MET 35 HE2 MET 35 9.683 8.144 6.595 300 3HE MET 35 HE3 MET 35 8.825 6.612 6.769 301 H CYS 36 HN CYS 36 4.627 5.249 4.463 302 HA CYS 36 HA CYS 36 5.410 2.866 5.845 303 1HB CYS 36 HB2 CYS 36 2.795 4.386 5.960 304 2HB CYS 36 HB1 CYS 36 3.333 3.167 7.112 305 HG CYS 36 HG CYS 36 4.791 6.218 6.595 306 H LEU 37 HN LEU 37 2.724 3.674 3.647 307 HA LEU 37 HA LEU 37 1.541 1.124 3.675 308 1HB LEU 37 HB2 LEU 37 1.440 3.322 1.620 309 2HB LEU 37 HB1 LEU 37 0.472 1.864 1.522 310 HG LEU 37 HG LEU 37 0.343 3.850 3.795 311 1HD1 LEU 37 HD11 LEU 37 -0.459 4.847 1.725 312 2HD1 LEU 37 HD12 LEU 37 -1.798 4.525 2.826 313 3HD1 LEU 37 HD13 LEU 37 -1.513 3.459 1.450 314 1HD2 LEU 37 HD21 LEU 37 -1.386 1.480 3.091 315 2HD2 LEU 37 HD22 LEU 37 -1.711 2.640 4.380 316 3HD2 LEU 37 HD23 LEU 37 -0.287 1.604 4.466 317 H GLY 38 HN GLY 38 3.782 2.585 1.312 318 1HA GLY 38 HA2 GLY 38 3.898 0.380 -0.425 319 2HA GLY 38 HA1 GLY 38 5.142 1.611 -0.265 320 H ASN 39 HN ASN 39 5.704 1.118 2.488 321 HA ASN 39 HA ASN 39 7.615 -0.967 2.265 322 1HB ASN 39 HB2 ASN 39 7.558 1.160 3.774 323 2HB ASN 39 HB1 ASN 39 6.642 0.148 4.881 324 1HD2 ASN 39 HD21 ASN 39 9.294 1.415 5.029 325 2HD2 ASN 39 HD22 ASN 39 10.385 0.140 5.455 326 H ALA 40 HN ALA 40 4.478 -0.682 3.878 327 HA ALA 40 HA ALA 40 4.403 -3.269 4.995 328 1HB ALA 40 HB1 ALA 40 2.886 -1.520 5.721 329 2HB ALA 40 HB2 ALA 40 1.974 -2.915 5.146 330 3HB ALA 40 HB3 ALA 40 2.133 -1.484 4.127 331 H VAL 41 HN VAL 41 3.249 -1.990 1.895 332 HA VAL 41 HA VAL 41 2.111 -4.318 0.847 333 HB VAL 41 HB VAL 41 3.579 -2.118 -0.627 334 1HG1 VAL 41 HG11 VAL 41 3.416 -4.091 -2.027 335 2HG1 VAL 41 HG12 VAL 41 2.303 -2.846 -2.598 336 3HG1 VAL 41 HG13 VAL 41 1.691 -4.222 -1.679 337 1HG2 VAL 41 HG21 VAL 41 0.638 -2.510 -0.086 338 2HG2 VAL 41 HG22 VAL 41 1.348 -1.216 -1.053 339 3HG2 VAL 41 HG23 VAL 41 1.681 -1.312 0.677 340 H THR 42 HN THR 42 5.442 -3.163 0.806 341 HA THR 42 HA THR 42 6.621 -5.081 -0.807 342 HB THR 42 HB THR 42 7.799 -3.723 1.630 343 HG1 THR 42 HG1 THR 42 7.088 -2.247 0.034 344 1HG2 THR 42 HG21 THR 42 9.192 -5.027 -0.714 345 2HG2 THR 42 HG22 THR 42 9.143 -5.657 0.933 346 3HG2 THR 42 HG23 THR 42 9.973 -4.139 0.591 347 H ASN 43 HN ASN 43 5.959 -5.208 2.682 348 HA ASN 43 HA ASN 43 7.173 -7.769 3.038 349 1HB ASN 43 HB2 ASN 43 5.392 -6.061 4.758 350 2HB ASN 43 HB1 ASN 43 5.853 -7.688 5.249 351 1HD2 ASN 43 HD21 ASN 43 6.484 -5.018 6.361 352 2HD2 ASN 43 HD22 ASN 43 8.210 -4.968 6.466 353 H ILE 44 HN ILE 44 3.936 -6.665 2.290 354 HA ILE 44 HA ILE 44 2.649 -9.170 2.683 355 HB ILE 44 HB ILE 44 1.853 -6.836 0.933 356 1HG1 ILE 44 HG12 ILE 44 1.944 -6.269 3.304 357 2HG1 ILE 44 HG11 ILE 44 0.270 -6.341 2.764 358 1HG2 ILE 44 HG21 ILE 44 0.791 -8.873 0.140 359 2HG2 ILE 44 HG22 ILE 44 -0.394 -7.826 0.921 360 3HG2 ILE 44 HG23 ILE 44 0.231 -9.238 1.772 361 1HD1 ILE 44 HD11 ILE 44 0.532 -7.353 4.953 362 2HD1 ILE 44 HD12 ILE 44 1.719 -8.484 4.305 363 3HD1 ILE 44 HD13 ILE 44 0.043 -8.558 3.762 364 H ILE 45 HN ILE 45 4.090 -7.579 -0.135 365 HA ILE 45 HA ILE 45 3.511 -9.658 -1.976 366 HB ILE 45 HB ILE 45 5.729 -7.597 -2.071 367 1HG1 ILE 45 HG12 ILE 45 2.992 -7.601 -3.367 368 2HG1 ILE 45 HG11 ILE 45 3.446 -6.638 -1.963 369 1HG2 ILE 45 HG21 ILE 45 6.184 -9.475 -3.555 370 2HG2 ILE 45 HG22 ILE 45 5.760 -8.036 -4.483 371 3HG2 ILE 45 HG23 ILE 45 4.575 -9.323 -4.259 372 1HD1 ILE 45 HD11 ILE 45 3.466 -5.299 -3.980 373 2HD1 ILE 45 HD12 ILE 45 4.616 -6.406 -4.728 374 3HD1 ILE 45 HD13 ILE 45 5.097 -5.450 -3.326 375 H ALA 46 HN ALA 46 5.958 -9.220 0.444 376 HA ALA 46 HA ALA 46 7.828 -11.121 -0.519 377 1HB ALA 46 HB1 ALA 46 7.333 -10.211 2.313 378 2HB ALA 46 HB2 ALA 46 8.412 -9.438 1.151 379 3HB ALA 46 HB3 ALA 46 8.763 -11.065 1.730 380 H GLN 47 HN GLN 47 4.751 -11.435 0.912 381 HA GLN 47 HA GLN 47 5.193 -14.161 1.834 382 1HB GLN 47 HB2 GLN 47 2.643 -12.535 1.725 383 2HB GLN 47 HB1 GLN 47 2.859 -14.074 2.550 384 1HG GLN 47 HG2 GLN 47 4.375 -13.095 4.119 385 2HG GLN 47 HG1 GLN 47 4.389 -11.576 3.228 386 1HE2 GLN 47 HE21 GLN 47 3.697 -10.377 4.969 387 2HE2 GLN 47 HE22 GLN 47 2.083 -10.466 5.573 388 H VAL 48 HN VAL 48 4.666 -12.668 -1.034 389 HA VAL 48 HA VAL 48 2.950 -14.704 -2.225 390 HB VAL 48 HB VAL 48 4.307 -12.347 -3.560 391 1HG1 VAL 48 HG11 VAL 48 2.582 -12.611 -5.276 392 2HG1 VAL 48 HG12 VAL 48 1.947 -14.018 -4.421 393 3HG1 VAL 48 HG13 VAL 48 3.569 -14.064 -5.113 394 1HG2 VAL 48 HG21 VAL 48 1.544 -12.509 -2.347 395 2HG2 VAL 48 HG22 VAL 48 2.131 -11.188 -3.360 396 3HG2 VAL 48 HG23 VAL 48 2.883 -11.501 -1.796 397 HA PRO 49 HA PRO 49 6.497 -17.063 -3.613 398 1HB PRO 49 HB2 PRO 49 5.263 -18.368 -5.690 399 2HB PRO 49 HB1 PRO 49 5.134 -18.863 -4.001 400 1HG PRO 49 HG2 PRO 49 3.219 -17.272 -5.660 401 2HG PRO 49 HG1 PRO 49 2.885 -18.552 -4.478 402 1HD PRO 49 HD2 PRO 49 2.574 -15.942 -3.885 403 2HD PRO 49 HD1 PRO 49 3.118 -17.122 -2.675 404 H GLU 50 HN GLU 50 8.028 -16.922 -5.169 405 HA GLU 50 HA GLU 50 8.359 -14.520 -6.470 406 1HB GLU 50 HB2 GLU 50 9.988 -16.532 -5.908 407 2HB GLU 50 HB1 GLU 50 9.695 -16.943 -7.594 408 1HG GLU 50 HG2 GLU 50 11.666 -15.643 -7.525 409 2HG GLU 50 HG1 GLU 50 10.395 -14.612 -8.185 410 H SER 51 HN SER 51 6.849 -17.422 -7.670 411 HA SER 51 HA SER 51 7.074 -17.092 -10.408 412 1HB SER 51 HB2 SER 51 6.220 -19.129 -9.268 413 2HB SER 51 HB1 SER 51 4.717 -18.274 -8.924 414 HG SER 51 HG SER 51 5.704 -19.275 -11.338 415 H LYS 52 HN LYS 52 4.779 -15.582 -8.185 416 HA LYS 52 HA LYS 52 3.724 -14.057 -10.478 417 1HB LYS 52 HB2 LYS 52 1.588 -13.855 -9.190 418 2HB LYS 52 HB1 LYS 52 1.966 -15.491 -9.708 419 1HG LYS 52 HG2 LYS 52 2.724 -16.060 -7.481 420 2HG LYS 52 HG1 LYS 52 2.471 -14.399 -6.947 421 1HD LYS 52 HD2 LYS 52 0.276 -16.182 -8.003 422 2HD LYS 52 HD1 LYS 52 0.653 -15.995 -6.290 423 1HE LYS 52 HE2 LYS 52 0.202 -13.589 -6.464 424 2HE LYS 52 HE1 LYS 52 -0.187 -13.787 -8.171 425 1HZ LYS 52 HZ1 LYS 52 -2.139 -13.707 -6.628 426 2HZ LYS 52 HZ2 LYS 52 -1.635 -15.202 -6.002 427 3HZ LYS 52 HZ3 LYS 52 -2.082 -15.074 -7.633 428 H ARG 53 HN ARG 53 5.729 -13.775 -8.023 429 HA ARG 53 HA ARG 53 4.699 -11.624 -6.487 430 1HB ARG 53 HB2 ARG 53 6.349 -13.100 -5.549 431 2HB ARG 53 HB1 ARG 53 7.494 -12.705 -6.820 432 1HG ARG 53 HG2 ARG 53 8.115 -10.766 -5.852 433 2HG ARG 53 HG1 ARG 53 6.509 -10.452 -5.194 434 1HD ARG 53 HD2 ARG 53 8.169 -10.906 -3.439 435 2HD ARG 53 HD1 ARG 53 6.860 -12.085 -3.453 436 HE ARG 53 HE ARG 53 9.068 -12.989 -4.989 437 1HH1 ARG 53 HH11 ARG 53 7.920 -12.600 -1.717 438 2HH1 ARG 53 HH12 ARG 53 8.944 -13.839 -1.061 439 1HH2 ARG 53 HH21 ARG 53 10.428 -14.625 -4.141 440 2HH2 ARG 53 HH22 ARG 53 10.317 -15.036 -2.453 441 H VAL 54 HN VAL 54 6.807 -11.780 -9.311 442 HA VAL 54 HA VAL 54 7.367 -8.972 -9.305 443 HB VAL 54 HB VAL 54 7.589 -10.878 -11.638 444 1HG1 VAL 54 HG11 VAL 54 7.735 -8.538 -12.269 445 2HG1 VAL 54 HG12 VAL 54 9.311 -9.316 -12.422 446 3HG1 VAL 54 HG13 VAL 54 8.974 -8.269 -11.044 447 1HG2 VAL 54 HG21 VAL 54 9.624 -10.242 -9.505 448 2HG2 VAL 54 HG22 VAL 54 9.934 -11.181 -10.965 449 3HG2 VAL 54 HG23 VAL 54 8.811 -11.789 -9.748 450 H ALA 55 HN ALA 55 5.037 -11.075 -10.883 451 HA ALA 55 HA ALA 55 3.990 -9.209 -12.702 452 1HB ALA 55 HB1 ALA 55 2.621 -11.595 -11.471 453 2HB ALA 55 HB2 ALA 55 3.656 -11.625 -12.899 454 3HB ALA 55 HB3 ALA 55 2.125 -10.749 -12.938 455 H VAL 56 HN VAL 56 3.043 -10.036 -9.379 456 HA VAL 56 HA VAL 56 0.686 -8.464 -9.421 457 HB VAL 56 HB VAL 56 0.687 -8.667 -6.949 458 1HG1 VAL 56 HG11 VAL 56 1.182 -11.232 -8.450 459 2HG1 VAL 56 HG12 VAL 56 -0.351 -10.366 -8.345 460 3HG1 VAL 56 HG13 VAL 56 0.358 -11.083 -6.898 461 1HG2 VAL 56 HG21 VAL 56 3.257 -10.188 -7.367 462 2HG2 VAL 56 HG22 VAL 56 2.352 -10.086 -5.856 463 3HG2 VAL 56 HG23 VAL 56 3.088 -8.637 -6.542 464 H VAL 57 HN VAL 57 4.018 -7.732 -8.442 465 HA VAL 57 HA VAL 57 3.323 -5.255 -7.221 466 HB VAL 57 HB VAL 57 5.395 -6.480 -6.640 467 1HG1 VAL 57 HG11 VAL 57 6.102 -7.214 -8.836 468 2HG1 VAL 57 HG12 VAL 57 7.376 -6.263 -8.070 469 3HG1 VAL 57 HG13 VAL 57 6.374 -5.542 -9.330 470 1HG2 VAL 57 HG21 VAL 57 5.172 -4.141 -6.055 471 2HG2 VAL 57 HG22 VAL 57 5.812 -3.664 -7.626 472 3HG2 VAL 57 HG23 VAL 57 6.845 -4.510 -6.474 473 H ASP 58 HN ASP 58 4.206 -6.175 -10.510 474 HA ASP 58 HA ASP 58 4.602 -3.499 -11.436 475 1HB ASP 58 HB2 ASP 58 5.450 -5.522 -12.629 476 2HB ASP 58 HB1 ASP 58 3.790 -5.898 -13.072 477 H ASN 59 HN ASN 59 1.876 -5.768 -11.661 478 HA ASN 59 HA ASN 59 0.111 -3.986 -12.939 479 1HB ASN 59 HB2 ASN 59 -0.321 -6.464 -11.290 480 2HB ASN 59 HB1 ASN 59 -1.685 -5.523 -11.886 481 1HD2 ASN 59 HD21 ASN 59 0.988 -7.569 -12.748 482 2HD2 ASN 59 HD22 ASN 59 0.486 -7.879 -14.378 483 H PHE 60 HN PHE 60 0.758 -4.639 -9.551 484 HA PHE 60 HA PHE 60 -1.166 -3.101 -8.288 485 1HB PHE 60 HB2 PHE 60 0.543 -4.548 -7.172 486 2HB PHE 60 HB1 PHE 60 1.758 -3.332 -7.542 487 HD1 PHE 60 HD1 PHE 60 -1.343 -3.932 -5.609 488 HD2 PHE 60 HD2 PHE 60 2.112 -1.512 -6.152 489 HE1 PHE 60 HE1 PHE 60 -1.800 -2.806 -3.468 490 HE2 PHE 60 HE2 PHE 60 1.662 -0.381 -4.017 491 HZ PHE 60 HZ PHE 60 -0.290 -1.029 -2.670 492 H THR 61 HN THR 61 2.040 -2.118 -9.414 493 HA THR 61 HA THR 61 1.680 0.585 -8.587 494 HB THR 61 HB THR 61 3.860 0.896 -9.895 495 HG1 THR 61 HG1 THR 61 3.960 -1.939 -9.824 496 1HG2 THR 61 HG21 THR 61 5.171 -0.260 -8.152 497 2HG2 THR 61 HG22 THR 61 3.718 -1.123 -7.648 498 3HG2 THR 61 HG23 THR 61 3.807 0.631 -7.475 499 H LYS 62 HN LYS 62 1.650 -1.090 -11.729 500 HA LYS 62 HA LYS 62 1.409 1.148 -13.387 501 1HB LYS 62 HB2 LYS 62 1.785 -1.215 -14.116 502 2HB LYS 62 HB1 LYS 62 0.085 -1.537 -13.801 503 1HG LYS 62 HG2 LYS 62 -0.492 0.212 -15.470 504 2HG LYS 62 HG1 LYS 62 1.226 0.355 -15.847 505 1HD LYS 62 HD2 LYS 62 -0.480 -2.116 -16.143 506 2HD LYS 62 HD1 LYS 62 0.133 -1.103 -17.451 507 1HE LYS 62 HE2 LYS 62 1.812 -2.693 -15.510 508 2HE LYS 62 HE1 LYS 62 1.457 -3.152 -17.173 509 1HZ LYS 62 HZ1 LYS 62 3.014 -0.777 -16.289 510 2HZ LYS 62 HZ2 LYS 62 2.593 -1.103 -17.897 511 3HZ LYS 62 HZ3 LYS 62 3.621 -2.160 -17.060 512 H ALA 63 HN ALA 63 -1.165 -0.793 -11.870 513 HA ALA 63 HA ALA 63 -3.287 0.742 -12.994 514 1HB ALA 63 HB1 ALA 63 -3.354 -1.127 -10.629 515 2HB ALA 63 HB2 ALA 63 -3.570 -1.595 -12.316 516 3HB ALA 63 HB3 ALA 63 -4.745 -0.535 -11.539 517 H LEU 64 HN LEU 64 -1.466 0.896 -10.010 518 HA LEU 64 HA LEU 64 -3.115 2.622 -8.545 519 1HB LEU 64 HB2 LEU 64 -0.479 1.558 -8.338 520 2HB LEU 64 HB1 LEU 64 -0.402 3.285 -8.042 521 HG LEU 64 HG LEU 64 -2.265 1.416 -6.577 522 1HD1 LEU 64 HD11 LEU 64 0.041 0.834 -6.090 523 2HD1 LEU 64 HD12 LEU 64 -0.703 1.624 -4.701 524 3HD1 LEU 64 HD13 LEU 64 0.410 2.522 -5.735 525 1HD2 LEU 64 HD21 LEU 64 -3.012 3.737 -6.634 526 2HD2 LEU 64 HD22 LEU 64 -1.438 4.269 -6.044 527 3HD2 LEU 64 HD23 LEU 64 -2.478 3.287 -5.013 528 H LYS 65 HN LYS 65 -0.343 3.383 -10.650 529 HA LYS 65 HA LYS 65 -0.518 6.168 -10.453 530 1HB LYS 65 HB2 LYS 65 0.519 4.400 -12.662 531 2HB LYS 65 HB1 LYS 65 0.632 6.151 -12.718 532 1HG LYS 65 HG2 LYS 65 1.908 6.063 -10.579 533 2HG LYS 65 HG1 LYS 65 1.920 4.303 -10.728 534 1HD LYS 65 HD2 LYS 65 3.986 5.296 -11.603 535 2HD LYS 65 HD1 LYS 65 3.068 4.480 -12.873 536 1HE LYS 65 HE2 LYS 65 2.090 6.712 -13.463 537 2HE LYS 65 HE1 LYS 65 3.232 7.439 -12.335 538 1HZ LYS 65 HZ1 LYS 65 5.050 6.573 -13.641 539 2HZ LYS 65 HZ2 LYS 65 4.027 7.501 -14.626 540 3HZ LYS 65 HZ3 LYS 65 3.968 5.807 -14.703 541 H GLN 66 HN GLN 66 -2.005 3.929 -12.750 542 HA GLN 66 HA GLN 66 -3.160 5.826 -14.443 543 1HB GLN 66 HB2 GLN 66 -2.971 3.432 -14.979 544 2HB GLN 66 HB1 GLN 66 -4.176 3.066 -13.754 545 1HG GLN 66 HG2 GLN 66 -5.818 4.402 -15.009 546 2HG GLN 66 HG1 GLN 66 -4.601 4.679 -16.253 547 1HE2 GLN 66 HE21 GLN 66 -6.725 2.370 -14.781 548 2HE2 GLN 66 HE22 GLN 66 -6.604 1.172 -16.029 549 H SER 67 HN SER 67 -4.469 4.239 -11.555 550 HA SER 67 HA SER 67 -7.061 5.361 -11.782 551 1HB SER 67 HB2 SER 67 -5.667 4.261 -9.331 552 2HB SER 67 HB1 SER 67 -7.404 4.520 -9.506 553 HG SER 67 HG SER 67 -5.747 2.587 -10.693 554 H VAL 68 HN VAL 68 -4.171 6.340 -9.976 555 HA VAL 68 HA VAL 68 -5.450 8.483 -8.610 556 HB VAL 68 HB VAL 68 -2.515 8.042 -9.190 557 1HG1 VAL 68 HG11 VAL 68 -3.835 9.951 -7.265 558 2HG1 VAL 68 HG12 VAL 68 -2.952 10.391 -8.728 559 3HG1 VAL 68 HG13 VAL 68 -2.103 9.640 -7.375 560 1HG2 VAL 68 HG21 VAL 68 -2.433 7.280 -6.848 561 2HG2 VAL 68 HG22 VAL 68 -3.476 6.267 -7.847 562 3HG2 VAL 68 HG23 VAL 68 -4.185 7.448 -6.748 563 H LEU 69 HN LEU 69 -3.755 8.207 -11.674 564 HA LEU 69 HA LEU 69 -3.489 10.960 -12.217 565 1HB LEU 69 HB2 LEU 69 -2.368 8.964 -13.368 566 2HB LEU 69 HB1 LEU 69 -3.846 8.797 -14.289 567 HG LEU 69 HG LEU 69 -2.288 11.373 -14.299 568 1HD1 LEU 69 HD11 LEU 69 -1.909 8.982 -16.097 569 2HD1 LEU 69 HD12 LEU 69 -0.737 9.626 -14.949 570 3HD1 LEU 69 HD13 LEU 69 -1.204 10.578 -16.357 571 1HD2 LEU 69 HD21 LEU 69 -3.378 11.661 -16.474 572 2HD2 LEU 69 HD22 LEU 69 -4.563 11.449 -15.185 573 3HD2 LEU 69 HD23 LEU 69 -4.192 10.111 -16.270 574 H GLU 70 HN GLU 70 -5.994 8.606 -13.186 575 HA GLU 70 HA GLU 70 -7.549 10.572 -14.542 576 1HB GLU 70 HB2 GLU 70 -9.281 8.842 -14.685 577 2HB GLU 70 HB1 GLU 70 -7.710 8.216 -15.157 578 1HG GLU 70 HG2 GLU 70 -7.463 7.126 -13.013 579 2HG GLU 70 HG1 GLU 70 -8.991 7.816 -12.466 580 H HIS 71 HN HIS 71 -7.629 9.158 -11.331 581 HA HIS 71 HA HIS 71 -9.954 10.793 -10.636 582 1HB HIS 71 HB2 HIS 71 -9.942 8.377 -10.035 583 2HB HIS 71 HB1 HIS 71 -8.544 8.661 -9.007 584 HD1 HIS 71 HD1 HIS 71 -8.972 9.519 -6.680 585 HD2 HIS 71 HD2 HIS 71 -12.385 9.548 -9.049 586 HE1 HIS 71 HE1 HIS 71 -10.875 10.005 -5.112 587 HE2 HIS 71 HE2 HIS 71 -12.948 9.819 -6.535 588 H HIS 72 HN HIS 72 -8.074 12.513 -11.065 589 HA HIS 72 HA HIS 72 -6.457 13.026 -8.754 590 1HB HIS 72 HB2 HIS 72 -5.827 15.121 -9.826 591 2HB HIS 72 HB1 HIS 72 -5.727 13.797 -10.974 592 HD1 HIS 72 HD1 HIS 72 -7.142 17.119 -10.495 593 HD2 HIS 72 HD2 HIS 72 -7.921 13.813 -12.907 594 HE1 HIS 72 HE1 HIS 72 -8.595 17.963 -12.368 595 HE2 HIS 72 HE2 HIS 72 -8.822 16.009 -13.944 596 H HIS 73 HN HIS 73 -9.492 14.330 -10.028 597 HA HIS 73 HA HIS 73 -10.172 15.044 -7.262 598 1HB HIS 73 HB2 HIS 73 -10.701 16.692 -9.736 599 2HB HIS 73 HB1 HIS 73 -11.673 16.867 -8.282 600 HD1 HIS 73 HD1 HIS 73 -9.999 19.183 -9.445 601 HD2 HIS 73 HD2 HIS 73 -8.730 16.648 -6.397 602 HE1 HIS 73 HE1 HIS 73 -8.245 20.464 -8.180 603 HE2 HIS 73 HE2 HIS 73 -7.344 18.831 -6.494 604 H HIS 74 HN HIS 74 -12.010 15.351 -10.220 605 HA HIS 74 HA HIS 74 -13.917 14.436 -10.974 606 1HB HIS 74 HB2 HIS 74 -12.338 12.546 -11.323 607 2HB HIS 74 HB1 HIS 74 -12.856 11.877 -9.780 608 HD1 HIS 74 HD1 HIS 74 -15.128 10.671 -9.701 609 HD2 HIS 74 HD2 HIS 74 -14.252 12.366 -13.404 610 HE1 HIS 74 HE1 HIS 74 -16.833 9.739 -11.304 611 HE2 HIS 74 HE2 HIS 74 -16.302 10.791 -13.531 612 H HIS 75 HN HIS 75 -15.165 15.682 -9.390 613 HA HIS 75 HA HIS 75 -16.735 13.779 -7.779 614 1HB HIS 75 HB2 HIS 75 -16.004 16.019 -6.758 615 2HB HIS 75 HB1 HIS 75 -17.139 16.776 -7.871 616 HD1 HIS 75 HD1 HIS 75 -18.759 17.595 -6.070 617 HD2 HIS 75 HD2 HIS 75 -18.067 13.494 -5.940 618 HE1 HIS 75 HE1 HIS 75 -20.467 16.665 -4.467 619 HE2 HIS 75 HE2 HIS 75 -19.922 14.208 -4.285 620 H HIS 76 HN HIS 76 -16.493 15.565 -10.614 621 HA HIS 76 HA HIS 76 -18.509 14.105 -11.913 622 1HB HIS 76 HB2 HIS 76 -20.064 15.707 -10.918 623 2HB HIS 76 HB1 HIS 76 -19.076 17.055 -11.470 624 HD1 HIS 76 HD1 HIS 76 -20.324 18.184 -13.293 625 HD2 HIS 76 HD2 HIS 76 -20.572 14.042 -13.575 626 HE1 HIS 76 HE1 HIS 76 -21.588 17.724 -15.414 627 HE2 HIS 76 HE2 HIS 76 -21.489 15.223 -15.690 628 1H MET 1 HT1 MET 1 21.666 16.221 3.665 629 2H MET 1 HT2 MET 1 22.046 17.010 5.117 630 3H MET 1 HT3 MET 1 22.409 17.746 3.637 631 HA MET 1 HA MET 1 20.456 18.717 4.699 632 1HB MET 1 HB2 MET 1 20.015 17.218 2.112 633 2HB MET 1 HB1 MET 1 18.887 18.410 2.739 634 1HG MET 1 HG2 MET 1 20.254 19.436 1.075 635 2HG MET 1 HG1 MET 1 20.684 20.102 2.647 636 1HE MET 1 HE1 MET 1 22.880 21.105 1.536 637 2HE MET 1 HE2 MET 1 22.444 20.388 -0.015 638 3HE MET 1 HE3 MET 1 24.058 20.137 0.649 639 HA PRO 2 HA PRO 2 17.879 15.759 6.815 640 1HB PRO 2 HB2 PRO 2 16.078 17.995 7.362 641 2HB PRO 2 HB1 PRO 2 17.052 17.050 8.489 642 1HG PRO 2 HG2 PRO 2 17.599 19.637 7.904 643 2HG PRO 2 HG1 PRO 2 18.858 18.460 8.323 644 1HD PRO 2 HD2 PRO 2 18.044 19.486 5.627 645 2HD PRO 2 HD1 PRO 2 19.669 19.164 6.267 646 H ILE 3 HN ILE 3 16.984 14.544 5.212 647 HA ILE 3 HA ILE 3 15.088 15.661 3.359 648 HB ILE 3 HB ILE 3 14.860 13.262 2.579 649 1HG1 ILE 3 HG12 ILE 3 17.217 12.863 4.446 650 2HG1 ILE 3 HG11 ILE 3 15.610 12.189 4.688 651 1HG2 ILE 3 HG21 ILE 3 17.589 14.541 2.563 652 2HG2 ILE 3 HG22 ILE 3 16.262 14.888 1.454 653 3HG2 ILE 3 HG23 ILE 3 17.031 13.301 1.441 654 1HD1 ILE 3 HD11 ILE 3 15.849 10.883 2.644 655 2HD1 ILE 3 HD12 ILE 3 17.139 10.532 3.795 656 3HD1 ILE 3 HD13 ILE 3 17.458 11.563 2.400 657 H VAL 4 HN VAL 4 13.675 16.375 5.155 658 HA VAL 4 HA VAL 4 11.748 16.274 6.342 659 HB VAL 4 HB VAL 4 11.068 13.796 4.753 660 1HG1 VAL 4 HG11 VAL 4 9.496 14.346 6.522 661 2HG1 VAL 4 HG12 VAL 4 8.769 14.648 4.944 662 3HG1 VAL 4 HG13 VAL 4 9.360 15.996 5.915 663 1HG2 VAL 4 HG21 VAL 4 11.905 15.501 3.215 664 2HG2 VAL 4 HG22 VAL 4 10.772 16.672 3.891 665 3HG2 VAL 4 HG23 VAL 4 10.169 15.262 3.019 666 H SER 5 HN SER 5 13.963 15.138 7.553 667 HA SER 5 HA SER 5 13.224 12.637 8.760 668 1HB SER 5 HB2 SER 5 15.259 13.246 10.253 669 2HB SER 5 HB1 SER 5 15.546 12.890 8.550 670 HG SER 5 HG SER 5 15.832 15.254 9.948 671 H LYS 6 HN LYS 6 11.115 13.539 9.372 672 HA LYS 6 HA LYS 6 11.201 15.193 11.802 673 1HB LYS 6 HB2 LYS 6 9.895 16.086 9.914 674 2HB LYS 6 HB1 LYS 6 8.925 14.623 9.883 675 1HG LYS 6 HG2 LYS 6 8.008 15.144 12.057 676 2HG LYS 6 HG1 LYS 6 9.042 16.570 12.176 677 1HD LYS 6 HD2 LYS 6 7.930 17.558 10.251 678 2HD LYS 6 HD1 LYS 6 6.936 16.112 10.064 679 1HE LYS 6 HE2 LYS 6 6.947 17.857 12.522 680 2HE LYS 6 HE1 LYS 6 5.788 18.013 11.201 681 1HZ LYS 6 HZ1 LYS 6 4.932 16.691 13.060 682 2HZ LYS 6 HZ2 LYS 6 6.174 15.556 12.838 683 3HZ LYS 6 HZ3 LYS 6 5.011 15.788 11.626 684 H TYR 7 HN TYR 7 10.955 12.046 10.819 685 HA TYR 7 HA TYR 7 9.293 11.287 13.132 686 1HB TYR 7 HB2 TYR 7 9.645 9.535 10.716 687 2HB TYR 7 HB1 TYR 7 8.378 9.487 11.934 688 HD1 TYR 7 HD1 TYR 7 6.598 11.262 11.913 689 HD2 TYR 7 HD2 TYR 7 9.421 10.824 8.764 690 HE1 TYR 7 HE1 TYR 7 5.138 12.566 10.425 691 HE2 TYR 7 HE2 TYR 7 7.973 12.124 7.272 692 HH TYR 7 HH TYR 7 5.178 13.814 8.433 693 H SER 8 HN SER 8 9.985 9.514 14.343 694 HA SER 8 HA SER 8 12.767 8.737 13.982 695 1HB SER 8 HB2 SER 8 11.936 9.233 16.254 696 2HB SER 8 HB1 SER 8 10.751 7.935 16.100 697 HG SER 8 HG SER 8 13.004 7.613 17.150 698 H ASN 9 HN ASN 9 13.423 6.562 13.620 699 HA ASN 9 HA ASN 9 11.822 5.130 11.802 700 1HB ASN 9 HB2 ASN 9 13.511 3.427 11.810 701 2HB ASN 9 HB1 ASN 9 14.324 4.979 11.936 702 1HD2 ASN 9 HD21 ASN 9 15.199 2.282 12.669 703 2HD2 ASN 9 HD22 ASN 9 15.633 2.363 14.346 704 H GLU 10 HN GLU 10 12.057 5.063 15.248 705 HA GLU 10 HA GLU 10 10.880 2.615 15.863 706 1HB GLU 10 HB2 GLU 10 10.663 5.293 17.245 707 2HB GLU 10 HB1 GLU 10 10.043 3.796 17.928 708 1HG GLU 10 HG2 GLU 10 12.258 2.865 18.016 709 2HG GLU 10 HG1 GLU 10 12.920 4.275 17.189 710 H ARG 11 HN ARG 11 9.395 5.719 15.026 711 HA ARG 11 HA ARG 11 6.731 4.703 15.414 712 1HB ARG 11 HB2 ARG 11 7.234 7.070 15.840 713 2HB ARG 11 HB1 ARG 11 7.645 7.291 14.144 714 1HG ARG 11 HG2 ARG 11 5.397 6.906 13.464 715 2HG ARG 11 HG1 ARG 11 4.938 6.374 15.082 716 1HD ARG 11 HD2 ARG 11 5.408 8.639 15.931 717 2HD ARG 11 HD1 ARG 11 5.794 9.157 14.289 718 HE ARG 11 HE ARG 11 3.536 9.109 13.745 719 1HH1 ARG 11 HH11 ARG 11 4.057 7.859 16.984 720 2HH1 ARG 11 HH12 ARG 11 2.377 7.930 17.421 721 1HH2 ARG 11 HH21 ARG 11 1.336 9.250 14.330 722 2HH2 ARG 11 HH22 ARG 11 0.819 8.733 15.905 723 H VAL 12 HN VAL 12 8.889 5.285 12.706 724 HA VAL 12 HA VAL 12 7.038 4.896 10.636 725 HB VAL 12 HB VAL 12 9.993 4.241 10.653 726 1HG1 VAL 12 HG11 VAL 12 8.084 4.583 8.341 727 2HG1 VAL 12 HG12 VAL 12 8.877 3.087 8.833 728 3HG1 VAL 12 HG13 VAL 12 9.834 4.426 8.202 729 1HG2 VAL 12 HG21 VAL 12 8.509 6.710 9.737 730 2HG2 VAL 12 HG22 VAL 12 10.238 6.421 9.544 731 3HG2 VAL 12 HG23 VAL 12 9.548 6.581 11.159 732 H GLU 13 HN GLU 13 9.227 2.543 12.204 733 HA GLU 13 HA GLU 13 8.222 0.266 10.881 734 1HB GLU 13 HB2 GLU 13 9.438 0.433 13.645 735 2HB GLU 13 HB1 GLU 13 9.274 -1.024 12.679 736 1HG GLU 13 HG2 GLU 13 10.969 1.365 11.986 737 2HG GLU 13 HG1 GLU 13 11.551 -0.155 12.655 738 H LYS 14 HN LYS 14 7.200 2.001 13.751 739 HA LYS 14 HA LYS 14 5.388 0.137 14.794 740 1HB LYS 14 HB2 LYS 14 6.052 2.047 16.105 741 2HB LYS 14 HB1 LYS 14 5.372 3.156 14.921 742 1HG LYS 14 HG2 LYS 14 3.130 2.082 15.412 743 2HG LYS 14 HG1 LYS 14 3.918 1.313 16.791 744 1HD LYS 14 HD2 LYS 14 4.460 3.456 17.742 745 2HD LYS 14 HD1 LYS 14 3.860 4.290 16.306 746 1HE LYS 14 HE2 LYS 14 2.220 2.624 18.211 747 2HE LYS 14 HE1 LYS 14 2.236 4.384 18.124 748 1HZ LYS 14 HZ1 LYS 14 0.340 3.425 16.963 749 2HZ LYS 14 HZ2 LYS 14 1.367 2.564 15.931 750 3HZ LYS 14 HZ3 LYS 14 1.342 4.267 15.891 751 H ILE 15 HN ILE 15 4.776 2.902 12.622 752 HA ILE 15 HA ILE 15 2.030 2.485 12.317 753 HB ILE 15 HB ILE 15 3.951 3.678 10.308 754 1HG1 ILE 15 HG12 ILE 15 2.257 5.040 12.415 755 2HG1 ILE 15 HG11 ILE 15 3.986 4.746 12.559 756 1HG2 ILE 15 HG21 ILE 15 0.955 3.938 10.552 757 2HG2 ILE 15 HG22 ILE 15 1.835 3.109 9.267 758 3HG2 ILE 15 HG23 ILE 15 1.972 4.858 9.442 759 1HD1 ILE 15 HD11 ILE 15 2.651 6.477 10.489 760 2HD1 ILE 15 HD12 ILE 15 4.384 6.175 10.617 761 3HD1 ILE 15 HD13 ILE 15 3.543 7.035 11.905 762 H ILE 16 HN ILE 16 4.765 1.217 10.463 763 HA ILE 16 HA ILE 16 3.311 -0.217 8.541 764 HB ILE 16 HB ILE 16 5.979 -0.949 9.769 765 1HG1 ILE 16 HG12 ILE 16 5.409 0.606 7.239 766 2HG1 ILE 16 HG11 ILE 16 5.839 1.350 8.774 767 1HG2 ILE 16 HG21 ILE 16 4.722 -1.780 7.154 768 2HG2 ILE 16 HG22 ILE 16 4.991 -2.814 8.557 769 3HG2 ILE 16 HG23 ILE 16 6.366 -2.162 7.665 770 1HD1 ILE 16 HD11 ILE 16 7.748 1.180 7.272 771 2HD1 ILE 16 HD12 ILE 16 7.557 -0.574 7.224 772 3HD1 ILE 16 HD13 ILE 16 7.988 0.228 8.736 773 H GLN 17 HN GLN 17 4.423 -1.112 11.781 774 HA GLN 17 HA GLN 17 3.513 -3.780 11.739 775 1HB GLN 17 HB2 GLN 17 5.135 -2.907 13.383 776 2HB GLN 17 HB1 GLN 17 3.860 -1.942 14.114 777 1HG GLN 17 HG2 GLN 17 4.250 -3.926 15.422 778 2HG GLN 17 HG1 GLN 17 2.651 -3.998 14.684 779 1HE2 GLN 17 HE21 GLN 17 2.540 -6.217 14.841 780 2HE2 GLN 17 HE22 GLN 17 3.482 -7.264 13.832 781 H ASP 18 HN ASP 18 1.978 -0.771 12.845 782 HA ASP 18 HA ASP 18 -0.396 -1.898 13.820 783 1HB ASP 18 HB2 ASP 18 0.256 0.812 12.692 784 2HB ASP 18 HB1 ASP 18 -1.394 0.402 13.140 785 H LEU 19 HN LEU 19 0.466 -0.816 10.563 786 HA LEU 19 HA LEU 19 -2.042 -1.340 9.370 787 1HB LEU 19 HB2 LEU 19 0.721 -1.306 8.151 788 2HB LEU 19 HB1 LEU 19 -0.773 -1.336 7.234 789 HG LEU 19 HG LEU 19 0.063 0.883 9.104 790 1HD1 LEU 19 HD11 LEU 19 1.494 0.809 7.146 791 2HD1 LEU 19 HD12 LEU 19 0.398 2.188 7.055 792 3HD1 LEU 19 HD13 LEU 19 0.079 0.744 6.092 793 1HD2 LEU 19 HD21 LEU 19 -2.243 0.686 7.171 794 2HD2 LEU 19 HD22 LEU 19 -1.811 2.100 8.133 795 3HD2 LEU 19 HD23 LEU 19 -2.359 0.624 8.929 796 H LEU 20 HN LEU 20 0.929 -3.295 9.590 797 HA LEU 20 HA LEU 20 -0.055 -5.546 8.215 798 1HB LEU 20 HB2 LEU 20 2.046 -5.367 10.375 799 2HB LEU 20 HB1 LEU 20 1.749 -6.794 9.402 800 HG LEU 20 HG LEU 20 2.710 -4.125 8.370 801 1HD1 LEU 20 HD11 LEU 20 4.411 -5.315 9.642 802 2HD1 LEU 20 HD12 LEU 20 4.796 -5.309 7.920 803 3HD1 LEU 20 HD13 LEU 20 4.138 -6.762 8.670 804 1HD2 LEU 20 HD21 LEU 20 3.005 -5.291 6.241 805 2HD2 LEU 20 HD22 LEU 20 1.313 -5.256 6.737 806 3HD2 LEU 20 HD23 LEU 20 2.257 -6.733 6.928 807 H ASP 21 HN ASP 21 -0.264 -4.543 11.571 808 HA ASP 21 HA ASP 21 -1.215 -6.900 12.722 809 1HB ASP 21 HB2 ASP 21 -0.544 -4.864 13.988 810 2HB ASP 21 HB1 ASP 21 -2.031 -4.086 13.454 811 H VAL 22 HN VAL 22 -3.025 -4.200 11.272 812 HA VAL 22 HA VAL 22 -5.592 -5.251 11.639 813 HB VAL 22 HB VAL 22 -4.565 -3.462 9.430 814 1HG1 VAL 22 HG11 VAL 22 -7.409 -4.080 10.223 815 2HG1 VAL 22 HG12 VAL 22 -6.619 -4.554 8.719 816 3HG1 VAL 22 HG13 VAL 22 -6.915 -2.849 9.061 817 1HG2 VAL 22 HG21 VAL 22 -5.999 -2.846 12.014 818 2HG2 VAL 22 HG22 VAL 22 -5.628 -1.669 10.754 819 3HG2 VAL 22 HG23 VAL 22 -4.318 -2.469 11.624 820 H LEU 23 HN LEU 23 -3.325 -5.639 8.944 821 HA LEU 23 HA LEU 23 -5.020 -7.110 7.263 822 1HB LEU 23 HB2 LEU 23 -2.011 -7.193 7.463 823 2HB LEU 23 HB1 LEU 23 -2.953 -7.839 6.132 824 HG LEU 23 HG LEU 23 -2.869 -4.929 6.929 825 1HD1 LEU 23 HD11 LEU 23 -1.550 -6.357 4.627 826 2HD1 LEU 23 HD12 LEU 23 -0.734 -5.673 6.033 827 3HD1 LEU 23 HD13 LEU 23 -1.564 -4.613 4.894 828 1HD2 LEU 23 HD21 LEU 23 -4.028 -4.559 4.804 829 2HD2 LEU 23 HD22 LEU 23 -4.980 -5.571 5.890 830 3HD2 LEU 23 HD23 LEU 23 -4.107 -6.301 4.544 831 H VAL 24 HN VAL 24 -2.777 -8.176 9.785 832 HA VAL 24 HA VAL 24 -3.269 -10.963 9.329 833 HB VAL 24 HB VAL 24 -2.072 -9.583 11.739 834 1HG1 VAL 24 HG11 VAL 24 -2.021 -12.489 10.943 835 2HG1 VAL 24 HG12 VAL 24 -2.920 -11.799 12.295 836 3HG1 VAL 24 HG13 VAL 24 -1.156 -11.777 12.304 837 1HG2 VAL 24 HG21 VAL 24 0.083 -10.289 10.790 838 2HG2 VAL 24 HG22 VAL 24 -0.779 -9.181 9.721 839 3HG2 VAL 24 HG23 VAL 24 -0.760 -10.908 9.368 840 H LYS 25 HN LYS 25 -4.496 -8.513 11.536 841 HA LYS 25 HA LYS 25 -6.070 -10.080 13.218 842 1HB LYS 25 HB2 LYS 25 -5.538 -7.679 13.507 843 2HB LYS 25 HB1 LYS 25 -6.624 -7.291 12.184 844 1HG LYS 25 HG2 LYS 25 -8.515 -8.073 13.470 845 2HG LYS 25 HG1 LYS 25 -7.443 -8.575 14.782 846 1HD LYS 25 HD2 LYS 25 -6.694 -6.255 15.043 847 2HD LYS 25 HD1 LYS 25 -7.788 -5.763 13.750 848 1HE LYS 25 HE2 LYS 25 -9.701 -6.416 15.065 849 2HE LYS 25 HE1 LYS 25 -8.650 -7.053 16.333 850 1HZ LYS 25 HZ1 LYS 25 -9.518 -4.828 16.843 851 2HZ LYS 25 HZ2 LYS 25 -8.737 -4.208 15.471 852 3HZ LYS 25 HZ3 LYS 25 -7.825 -4.845 16.754 853 H GLU 26 HN GLU 26 -6.831 -8.661 10.066 854 HA GLU 26 HA GLU 26 -9.503 -9.758 10.002 855 1HB GLU 26 HB2 GLU 26 -7.831 -8.587 7.769 856 2HB GLU 26 HB1 GLU 26 -9.555 -8.911 7.702 857 1HG GLU 26 HG2 GLU 26 -8.246 -6.946 9.559 858 2HG GLU 26 HG1 GLU 26 -9.008 -6.540 8.023 859 H GLU 27 HN GLU 27 -6.404 -10.939 9.441 860 HA GLU 27 HA GLU 27 -5.421 -12.531 8.184 861 1HB GLU 27 HB2 GLU 27 -7.992 -13.834 8.999 862 2HB GLU 27 HB1 GLU 27 -6.871 -14.680 7.938 863 1HG GLU 27 HG2 GLU 27 -5.093 -14.211 9.678 864 2HG GLU 27 HG1 GLU 27 -6.409 -13.728 10.746 865 H VAL 28 HN VAL 28 -5.710 -10.867 6.482 866 HA VAL 28 HA VAL 28 -7.467 -11.607 4.303 867 HB VAL 28 HB VAL 28 -6.460 -9.734 3.099 868 1HG1 VAL 28 HG11 VAL 28 -7.133 -9.053 5.959 869 2HG1 VAL 28 HG12 VAL 28 -8.285 -9.266 4.640 870 3HG1 VAL 28 HG13 VAL 28 -7.143 -7.922 4.605 871 1HG2 VAL 28 HG21 VAL 28 -4.656 -9.438 5.502 872 2HG2 VAL 28 HG22 VAL 28 -4.749 -8.328 4.134 873 3HG2 VAL 28 HG23 VAL 28 -4.158 -9.972 3.897 874 H THR 29 HN THR 29 -6.708 -12.233 2.208 875 HA THR 29 HA THR 29 -4.335 -13.884 2.249 876 HB THR 29 HB THR 29 -4.995 -14.342 -0.160 877 HG1 THR 29 HG1 THR 29 -7.407 -13.687 -0.358 878 1HG2 THR 29 HG21 THR 29 -7.077 -14.864 1.968 879 2HG2 THR 29 HG22 THR 29 -5.642 -15.842 1.658 880 3HG2 THR 29 HG23 THR 29 -6.919 -15.739 0.445 881 HA PRO 30 HA PRO 30 -1.316 -11.168 0.522 882 1HB PRO 30 HB2 PRO 30 -1.159 -12.985 -1.845 883 2HB PRO 30 HB1 PRO 30 0.139 -12.359 -0.822 884 1HG PRO 30 HG2 PRO 30 -0.696 -14.867 -0.559 885 2HG PRO 30 HG1 PRO 30 -0.272 -13.898 0.866 886 1HD PRO 30 HD2 PRO 30 -2.958 -14.669 -0.174 887 2HD PRO 30 HD1 PRO 30 -2.415 -14.460 1.503 888 H ASP 31 HN ASP 31 -3.361 -12.484 -2.090 889 HA ASP 31 HA ASP 31 -3.135 -10.249 -3.786 890 1HB ASP 31 HB2 ASP 31 -5.393 -12.265 -3.675 891 2HB ASP 31 HB1 ASP 31 -4.985 -11.227 -5.040 892 H LEU 32 HN LEU 32 -5.591 -11.165 -1.405 893 HA LEU 32 HA LEU 32 -7.372 -9.043 -1.869 894 1HB LEU 32 HB2 LEU 32 -8.007 -11.008 -0.586 895 2HB LEU 32 HB1 LEU 32 -6.829 -10.619 0.651 896 HG LEU 32 HG LEU 32 -8.118 -8.570 1.200 897 1HD1 LEU 32 HD11 LEU 32 -10.119 -9.684 -0.759 898 2HD1 LEU 32 HD12 LEU 32 -9.174 -8.210 -0.970 899 3HD1 LEU 32 HD13 LEU 32 -10.379 -8.310 0.314 900 1HD2 LEU 32 HD21 LEU 32 -9.675 -11.153 1.293 901 2HD2 LEU 32 HD22 LEU 32 -9.988 -9.729 2.288 902 3HD2 LEU 32 HD23 LEU 32 -8.474 -10.614 2.467 903 H ALA 33 HN ALA 33 -4.635 -9.364 0.356 904 HA ALA 33 HA ALA 33 -4.909 -6.926 1.701 905 1HB ALA 33 HB1 ALA 33 -3.414 -8.701 2.454 906 2HB ALA 33 HB2 ALA 33 -2.549 -7.174 2.281 907 3HB ALA 33 HB3 ALA 33 -2.377 -8.430 1.054 908 H LEU 34 HN LEU 34 -3.018 -7.734 -1.200 909 HA LEU 34 HA LEU 34 -1.933 -5.183 -1.616 910 1HB LEU 34 HB2 LEU 34 -2.582 -7.336 -3.632 911 2HB LEU 34 HB1 LEU 34 -1.583 -5.931 -3.953 912 HG LEU 34 HG LEU 34 -0.955 -8.134 -1.988 913 1HD1 LEU 34 HD11 LEU 34 0.872 -8.653 -3.532 914 2HD1 LEU 34 HD12 LEU 34 0.276 -7.420 -4.644 915 3HD1 LEU 34 HD13 LEU 34 -0.705 -8.845 -4.294 916 1HD2 LEU 34 HD21 LEU 34 -0.123 -5.990 -1.206 917 2HD2 LEU 34 HD22 LEU 34 0.633 -5.696 -2.771 918 3HD2 LEU 34 HD23 LEU 34 1.209 -7.013 -1.749 919 H MET 35 HN MET 35 -4.929 -6.649 -2.808 920 HA MET 35 HA MET 35 -5.713 -4.549 -4.499 921 1HB MET 35 HB2 MET 35 -6.738 -6.786 -4.553 922 2HB MET 35 HB1 MET 35 -7.462 -6.496 -2.977 923 1HG MET 35 HG2 MET 35 -8.808 -4.710 -3.885 924 2HG MET 35 HG1 MET 35 -8.031 -4.887 -5.457 925 1HE MET 35 HE1 MET 35 -10.768 -8.092 -3.574 926 2HE MET 35 HE2 MET 35 -10.470 -6.519 -2.831 927 3HE MET 35 HE3 MET 35 -9.166 -7.700 -2.955 928 H CYS 36 HN CYS 36 -6.334 -5.134 -1.067 929 HA CYS 36 HA CYS 36 -8.030 -2.880 -0.702 930 1HB CYS 36 HB2 CYS 36 -6.371 -4.357 1.355 931 2HB CYS 36 HB1 CYS 36 -7.710 -3.265 1.695 932 HG CYS 36 HG CYS 36 -7.844 -6.373 0.306 933 H LEU 37 HN LEU 37 -4.575 -3.447 -0.074 934 HA LEU 37 HA LEU 37 -3.991 -0.927 1.007 935 1HB LEU 37 HB2 LEU 37 -2.250 -2.873 -0.501 936 2HB LEU 37 HB1 LEU 37 -1.633 -1.438 0.298 937 HG LEU 37 HG LEU 37 -3.089 -3.676 1.712 938 1HD1 LEU 37 HD11 LEU 37 -0.894 -4.321 2.571 939 2HD1 LEU 37 HD12 LEU 37 -0.134 -3.102 1.546 940 3HD1 LEU 37 HD13 LEU 37 -0.972 -4.472 0.815 941 1HD2 LEU 37 HD21 LEU 37 -2.212 -2.610 3.736 942 2HD2 LEU 37 HD22 LEU 37 -3.273 -1.525 2.837 943 3HD2 LEU 37 HD23 LEU 37 -1.523 -1.316 2.754 944 H GLY 38 HN GLY 38 -3.942 -2.061 -2.354 945 1HA GLY 38 HA2 GLY 38 -2.811 0.190 -3.554 946 2HA GLY 38 HA1 GLY 38 -3.952 -0.896 -4.332 947 H ASN 39 HN ASN 39 -6.224 -0.453 -2.807 948 HA ASN 39 HA ASN 39 -7.150 2.001 -3.919 949 1HB ASN 39 HB2 ASN 39 -8.387 -0.030 -2.075 950 2HB ASN 39 HB1 ASN 39 -9.215 1.476 -2.454 951 1HD2 ASN 39 HD21 ASN 39 -8.122 -1.592 -3.681 952 2HD2 ASN 39 HD22 ASN 39 -9.002 -1.528 -5.168 953 H ALA 40 HN ALA 40 -6.102 0.997 -0.720 954 HA ALA 40 HA ALA 40 -6.896 3.302 0.690 955 1HB ALA 40 HB1 ALA 40 -5.279 2.620 2.379 956 2HB ALA 40 HB2 ALA 40 -4.548 1.488 1.240 957 3HB ALA 40 HB3 ALA 40 -6.201 1.232 1.800 958 H VAL 41 HN VAL 41 -3.855 2.481 -0.966 959 HA VAL 41 HA VAL 41 -2.479 4.873 -0.416 960 HB VAL 41 HB VAL 41 -2.215 3.100 -2.856 961 1HG1 VAL 41 HG11 VAL 41 -1.191 5.271 -3.212 962 2HG1 VAL 41 HG12 VAL 41 0.050 4.030 -3.025 963 3HG1 VAL 41 HG13 VAL 41 -0.311 5.126 -1.690 964 1HG2 VAL 41 HG21 VAL 41 -1.883 1.840 -0.807 965 2HG2 VAL 41 HG22 VAL 41 -0.734 3.046 -0.228 966 3HG2 VAL 41 HG23 VAL 41 -0.345 2.063 -1.641 967 H THR 42 HN THR 42 -4.741 3.989 -2.958 968 HA THR 42 HA THR 42 -4.498 6.212 -4.619 969 HB THR 42 HB THR 42 -7.012 4.636 -4.008 970 HG1 THR 42 HG1 THR 42 -5.234 3.368 -4.807 971 1HG2 THR 42 HG21 THR 42 -7.519 6.740 -5.150 972 2HG2 THR 42 HG22 THR 42 -7.758 5.369 -6.235 973 3HG2 THR 42 HG23 THR 42 -6.314 6.371 -6.385 974 H ASN 43 HN ASN 43 -6.474 5.751 -1.699 975 HA ASN 43 HA ASN 43 -7.712 8.305 -1.797 976 1HB ASN 43 HB2 ASN 43 -8.665 6.503 -0.449 977 2HB ASN 43 HB1 ASN 43 -7.231 6.475 0.568 978 1HD2 ASN 43 HD21 ASN 43 -10.141 8.189 -0.236 979 2HD2 ASN 43 HD22 ASN 43 -10.138 9.253 1.131 980 H ILE 44 HN ILE 44 -4.780 7.079 -0.293 981 HA ILE 44 HA ILE 44 -4.114 9.344 1.226 982 HB ILE 44 HB ILE 44 -2.343 7.237 -0.011 983 1HG1 ILE 44 HG12 ILE 44 -3.919 6.366 1.630 984 2HG1 ILE 44 HG11 ILE 44 -2.286 6.336 2.288 985 1HG2 ILE 44 HG21 ILE 44 -1.631 9.309 2.061 986 2HG2 ILE 44 HG22 ILE 44 -1.032 9.244 0.404 987 3HG2 ILE 44 HG23 ILE 44 -0.604 7.971 1.548 988 1HD1 ILE 44 HD11 ILE 44 -4.371 8.421 2.899 989 2HD1 ILE 44 HD12 ILE 44 -2.754 8.323 3.597 990 3HD1 ILE 44 HD13 ILE 44 -3.938 7.061 3.936 991 H ILE 45 HN ILE 45 -3.137 8.430 -2.078 992 HA ILE 45 HA ILE 45 -1.577 10.785 -2.470 993 HB ILE 45 HB ILE 45 -2.748 9.022 -4.631 994 1HG1 ILE 45 HG12 ILE 45 -0.117 8.739 -3.155 995 2HG1 ILE 45 HG11 ILE 45 -1.512 7.686 -2.947 996 1HG2 ILE 45 HG21 ILE 45 -1.819 11.125 -5.432 997 2HG2 ILE 45 HG22 ILE 45 -0.788 9.777 -5.910 998 3HG2 ILE 45 HG23 ILE 45 -0.318 10.811 -4.561 999 1HD1 ILE 45 HD11 ILE 45 0.134 6.638 -4.354 1000 2HD1 ILE 45 HD12 ILE 45 0.123 8.022 -5.447 1001 3HD1 ILE 45 HD13 ILE 45 -1.310 7.005 -5.299 1002 H ALA 46 HN ALA 46 -4.933 10.076 -2.674 1003 HA ALA 46 HA ALA 46 -5.646 12.274 -4.368 1004 1HB ALA 46 HB1 ALA 46 -7.372 10.736 -2.427 1005 2HB ALA 46 HB2 ALA 46 -7.100 10.306 -4.117 1006 3HB ALA 46 HB3 ALA 46 -7.938 11.805 -3.710 1007 H GLN 47 HN GLN 47 -4.580 12.028 -1.190 1008 HA GLN 47 HA GLN 47 -5.868 14.467 -0.262 1009 1HB GLN 47 HB2 GLN 47 -3.699 12.794 1.028 1010 2HB GLN 47 HB1 GLN 47 -4.588 14.102 1.797 1011 1HG GLN 47 HG2 GLN 47 -6.624 12.848 1.722 1012 2HG GLN 47 HG1 GLN 47 -5.867 11.588 0.751 1013 1HE2 GLN 47 HE21 GLN 47 -6.341 9.977 2.233 1014 2HE2 GLN 47 HE22 GLN 47 -5.513 9.848 3.748 1015 H VAL 48 HN VAL 48 -3.361 13.656 -2.228 1016 HA VAL 48 HA VAL 48 -1.640 15.918 -1.491 1017 HB VAL 48 HB VAL 48 -1.090 13.758 -3.529 1018 1HG1 VAL 48 HG11 VAL 48 0.257 15.746 -3.799 1019 2HG1 VAL 48 HG12 VAL 48 1.250 14.410 -3.215 1020 3HG1 VAL 48 HG13 VAL 48 0.735 15.678 -2.103 1021 1HG2 VAL 48 HG21 VAL 48 -0.269 13.809 -0.631 1022 2HG2 VAL 48 HG22 VAL 48 0.282 12.646 -1.835 1023 3HG2 VAL 48 HG23 VAL 48 -1.419 12.696 -1.369 1024 HA PRO 49 HA PRO 49 -3.523 18.174 -4.862 1025 1HB PRO 49 HB2 PRO 49 -1.578 20.097 -5.094 1026 2HB PRO 49 HB1 PRO 49 -2.865 20.133 -3.885 1027 1HG PRO 49 HG2 PRO 49 -0.023 19.247 -3.605 1028 2HG PRO 49 HG1 PRO 49 -1.021 20.181 -2.478 1029 1HD PRO 49 HD2 PRO 49 -0.545 17.548 -2.132 1030 2HD PRO 49 HD1 PRO 49 -2.084 18.294 -1.662 1031 H GLU 50 HN GLU 50 -3.368 18.152 -7.044 1032 HA GLU 50 HA GLU 50 -1.851 16.384 -8.437 1033 1HB GLU 50 HB2 GLU 50 -3.049 18.980 -9.372 1034 2HB GLU 50 HB1 GLU 50 -2.281 17.850 -10.477 1035 1HG GLU 50 HG2 GLU 50 -4.441 17.190 -10.683 1036 2HG GLU 50 HG1 GLU 50 -3.935 16.143 -9.361 1037 H SER 51 HN SER 51 -0.893 19.616 -7.548 1038 HA SER 51 HA SER 51 1.227 20.192 -9.148 1039 1HB SER 51 HB2 SER 51 1.195 20.526 -6.143 1040 2HB SER 51 HB1 SER 51 2.101 21.499 -7.305 1041 HG SER 51 HG SER 51 0.392 22.707 -7.414 1042 H LYS 52 HN LYS 52 1.231 17.953 -6.386 1043 HA LYS 52 HA LYS 52 3.826 16.939 -7.345 1044 1HB LYS 52 HB2 LYS 52 4.308 16.348 -4.939 1045 2HB LYS 52 HB1 LYS 52 4.311 18.069 -5.301 1046 1HG LYS 52 HG2 LYS 52 2.112 18.316 -4.340 1047 2HG LYS 52 HG1 LYS 52 2.000 16.576 -4.082 1048 1HD LYS 52 HD2 LYS 52 4.115 18.319 -2.829 1049 2HD LYS 52 HD1 LYS 52 2.584 17.925 -2.046 1050 1HE LYS 52 HE2 LYS 52 3.171 15.506 -2.308 1051 2HE LYS 52 HE1 LYS 52 4.760 16.013 -2.880 1052 1HZ LYS 52 HZ1 LYS 52 3.616 16.714 -0.232 1053 2HZ LYS 52 HZ2 LYS 52 5.181 17.066 -0.777 1054 3HZ LYS 52 HZ3 LYS 52 4.724 15.453 -0.491 1055 H ARG 53 HN ARG 53 0.697 16.254 -7.222 1056 HA ARG 53 HA ARG 53 0.468 13.766 -5.937 1057 1HB ARG 53 HB2 ARG 53 -1.405 15.266 -6.712 1058 2HB ARG 53 HB1 ARG 53 -1.100 14.697 -8.346 1059 1HG ARG 53 HG2 ARG 53 -1.544 12.375 -7.530 1060 2HG ARG 53 HG1 ARG 53 -2.048 13.081 -5.994 1061 1HD ARG 53 HD2 ARG 53 -3.295 13.518 -8.703 1062 2HD ARG 53 HD1 ARG 53 -4.000 12.671 -7.329 1063 HE ARG 53 HE ARG 53 -3.553 15.580 -7.487 1064 1HH1 ARG 53 HH11 ARG 53 -5.125 12.834 -6.045 1065 2HH1 ARG 53 HH12 ARG 53 -6.327 13.782 -5.241 1066 1HH2 ARG 53 HH21 ARG 53 -5.169 16.845 -6.447 1067 2HH2 ARG 53 HH22 ARG 53 -6.347 16.046 -5.440 1068 H VAL 54 HN VAL 54 1.106 14.569 -9.336 1069 HA VAL 54 HA VAL 54 1.246 11.895 -10.245 1070 HB VAL 54 HB VAL 54 2.631 14.298 -11.459 1071 1HG1 VAL 54 HG11 VAL 54 1.739 11.673 -12.654 1072 2HG1 VAL 54 HG12 VAL 54 3.402 12.197 -12.386 1073 3HG1 VAL 54 HG13 VAL 54 2.394 13.033 -13.566 1074 1HG2 VAL 54 HG21 VAL 54 0.268 14.788 -11.135 1075 2HG2 VAL 54 HG22 VAL 54 -0.170 13.274 -11.930 1076 3HG2 VAL 54 HG23 VAL 54 0.625 14.552 -12.846 1077 H ALA 55 HN ALA 55 3.591 14.114 -8.892 1078 HA ALA 55 HA ALA 55 5.915 12.636 -9.501 1079 1HB ALA 55 HB1 ALA 55 7.024 14.042 -7.856 1080 2HB ALA 55 HB2 ALA 55 5.460 14.580 -7.243 1081 3HB ALA 55 HB3 ALA 55 5.960 15.008 -8.879 1082 H VAL 56 HN VAL 56 3.934 12.815 -6.541 1083 HA VAL 56 HA VAL 56 5.571 11.024 -5.097 1084 HB VAL 56 HB VAL 56 3.731 10.889 -3.462 1085 1HG1 VAL 56 HG11 VAL 56 3.736 13.260 -2.841 1086 2HG1 VAL 56 HG12 VAL 56 4.371 13.667 -4.436 1087 3HG1 VAL 56 HG13 VAL 56 5.334 12.694 -3.323 1088 1HG2 VAL 56 HG21 VAL 56 2.224 12.607 -5.428 1089 2HG2 VAL 56 HG22 VAL 56 1.725 12.274 -3.771 1090 3HG2 VAL 56 HG23 VAL 56 1.816 10.960 -4.943 1091 H VAL 57 HN VAL 57 2.710 10.497 -7.128 1092 HA VAL 57 HA VAL 57 2.369 7.794 -6.292 1093 HB VAL 57 HB VAL 57 0.528 9.091 -7.321 1094 1HG1 VAL 57 HG11 VAL 57 0.409 9.317 -9.757 1095 2HG1 VAL 57 HG12 VAL 57 2.063 8.717 -9.887 1096 3HG1 VAL 57 HG13 VAL 57 1.741 10.248 -9.073 1097 1HG2 VAL 57 HG21 VAL 57 -0.366 7.267 -8.697 1098 2HG2 VAL 57 HG22 VAL 57 0.390 6.673 -7.218 1099 3HG2 VAL 57 HG23 VAL 57 1.240 6.539 -8.758 1100 H ASP 58 HN ASP 58 4.279 9.370 -8.762 1101 HA ASP 58 HA ASP 58 4.998 6.940 -10.108 1102 1HB ASP 58 HB2 ASP 58 5.070 9.214 -11.169 1103 2HB ASP 58 HB1 ASP 58 6.464 9.579 -10.157 1104 H ASN 59 HN ASN 59 6.580 9.086 -7.775 1105 HA ASN 59 HA ASN 59 8.945 7.610 -7.434 1106 1HB ASN 59 HB2 ASN 59 7.438 9.470 -5.593 1107 2HB ASN 59 HB1 ASN 59 8.956 8.716 -5.116 1108 1HD2 ASN 59 HD21 ASN 59 9.904 10.762 -4.927 1109 2HD2 ASN 59 HD22 ASN 59 10.381 11.668 -6.316 1110 H PHE 60 HN PHE 60 5.823 7.417 -5.798 1111 HA PHE 60 HA PHE 60 6.374 5.489 -3.873 1112 1HB PHE 60 HB2 PHE 60 4.248 6.723 -4.020 1113 2HB PHE 60 HB1 PHE 60 3.854 5.871 -5.507 1114 HD1 PHE 60 HD2 PHE 60 4.479 5.346 -1.886 1115 HD2 PHE 60 HD1 PHE 60 2.719 3.861 -5.464 1116 HE1 PHE 60 HE2 PHE 60 3.336 3.591 -0.594 1117 HE2 PHE 60 HE1 PHE 60 1.576 2.108 -4.181 1118 HZ PHE 60 HZ PHE 60 1.879 1.969 -1.745 1119 H THR 61 HN THR 61 5.142 5.025 -7.170 1120 HA THR 61 HA THR 61 5.169 2.194 -6.994 1121 HB THR 61 HB THR 61 4.823 2.353 -9.515 1122 HG1 THR 61 HG1 THR 61 4.335 5.101 -9.045 1123 1HG2 THR 61 HG21 THR 61 2.969 2.105 -7.950 1124 2HG2 THR 61 HG22 THR 61 2.521 3.204 -9.256 1125 3HG2 THR 61 HG23 THR 61 2.952 3.849 -7.671 1126 H LYS 62 HN LYS 62 7.410 4.595 -8.290 1127 HA LYS 62 HA LYS 62 9.292 2.887 -9.453 1128 1HB LYS 62 HB2 LYS 62 9.522 5.238 -9.759 1129 2HB LYS 62 HB1 LYS 62 9.563 5.535 -8.030 1130 1HG LYS 62 HG2 LYS 62 11.757 5.830 -8.957 1131 2HG LYS 62 HG1 LYS 62 11.749 4.414 -7.908 1132 1HD LYS 62 HD2 LYS 62 11.552 2.968 -9.881 1133 2HD LYS 62 HD1 LYS 62 11.588 4.396 -10.921 1134 1HE LYS 62 HE2 LYS 62 13.779 3.610 -9.001 1135 2HE LYS 62 HE1 LYS 62 13.783 3.240 -10.723 1136 1HZ LYS 62 HZ1 LYS 62 13.547 6.021 -9.724 1137 2HZ LYS 62 HZ2 LYS 62 13.982 5.490 -11.276 1138 3HZ LYS 62 HZ3 LYS 62 15.051 5.282 -9.978 1139 H ALA 63 HN ALA 63 9.302 4.205 -6.140 1140 HA ALA 63 HA ALA 63 11.532 2.747 -5.250 1141 1HB ALA 63 HB1 ALA 63 10.710 4.760 -4.137 1142 2HB ALA 63 HB2 ALA 63 10.851 3.411 -3.010 1143 3HB ALA 63 HB3 ALA 63 9.266 3.888 -3.620 1144 H LEU 64 HN LEU 64 8.065 2.059 -5.032 1145 HA LEU 64 HA LEU 64 8.207 -0.138 -3.312 1146 1HB LEU 64 HB2 LEU 64 6.205 1.243 -4.372 1147 2HB LEU 64 HB1 LEU 64 6.191 -0.095 -5.501 1148 HG LEU 64 HG LEU 64 6.001 -0.520 -2.523 1149 1HD1 LEU 64 HD11 LEU 64 4.177 0.947 -3.214 1150 2HD1 LEU 64 HD12 LEU 64 3.586 -0.666 -2.812 1151 3HD1 LEU 64 HD13 LEU 64 3.753 -0.185 -4.500 1152 1HD2 LEU 64 HD21 LEU 64 6.596 -2.484 -3.821 1153 2HD2 LEU 64 HD22 LEU 64 5.231 -2.203 -4.902 1154 3HD2 LEU 64 HD23 LEU 64 4.944 -2.627 -3.215 1155 H LYS 65 HN LYS 65 8.223 -0.073 -6.889 1156 HA LYS 65 HA LYS 65 8.340 -2.867 -7.194 1157 1HB LYS 65 HB2 LYS 65 9.036 -0.584 -9.008 1158 2HB LYS 65 HB1 LYS 65 9.372 -2.240 -9.492 1159 1HG LYS 65 HG2 LYS 65 6.963 -2.765 -9.097 1160 2HG LYS 65 HG1 LYS 65 6.689 -1.043 -8.838 1161 1HD LYS 65 HD2 LYS 65 8.094 -1.855 -11.323 1162 2HD LYS 65 HD1 LYS 65 6.368 -2.199 -11.212 1163 1HE LYS 65 HE2 LYS 65 6.681 -0.067 -12.281 1164 2HE LYS 65 HE1 LYS 65 5.973 0.188 -10.690 1165 1HZ LYS 65 HZ1 LYS 65 8.113 0.846 -9.850 1166 2HZ LYS 65 HZ2 LYS 65 7.741 1.775 -11.215 1167 3HZ LYS 65 HZ3 LYS 65 8.858 0.505 -11.335 1168 H GLN 66 HN GLN 66 10.925 -0.448 -6.956 1169 HA GLN 66 HA GLN 66 12.952 -2.385 -7.518 1170 1HB GLN 66 HB2 GLN 66 13.042 0.465 -6.587 1171 2HB GLN 66 HB1 GLN 66 14.498 -0.517 -6.675 1172 1HG GLN 66 HG2 GLN 66 12.648 -0.064 -9.002 1173 2HG GLN 66 HG1 GLN 66 14.060 0.930 -8.663 1174 1HE2 GLN 66 HE21 GLN 66 14.027 -2.539 -8.111 1175 2HE2 GLN 66 HE22 GLN 66 15.110 -2.941 -9.396 1176 H SER 67 HN SER 67 11.474 -1.170 -4.578 1177 HA SER 67 HA SER 67 13.528 -2.190 -2.874 1178 1HB SER 67 HB2 SER 67 11.780 -1.867 -1.062 1179 2HB SER 67 HB1 SER 67 12.212 -0.424 -1.978 1180 HG SER 67 HG SER 67 10.304 -0.483 -3.010 1181 H VAL 68 HN VAL 68 10.310 -3.365 -3.834 1182 HA VAL 68 HA VAL 68 10.328 -5.718 -2.313 1183 HB VAL 68 HB VAL 68 8.952 -5.182 -4.950 1184 1HG1 VAL 68 HG11 VAL 68 7.475 -7.043 -4.366 1185 2HG1 VAL 68 HG12 VAL 68 8.459 -7.376 -2.941 1186 3HG1 VAL 68 HG13 VAL 68 9.145 -7.579 -4.552 1187 1HG2 VAL 68 HG21 VAL 68 6.979 -4.768 -3.566 1188 2HG2 VAL 68 HG22 VAL 68 8.287 -3.651 -3.179 1189 3HG2 VAL 68 HG23 VAL 68 7.948 -5.014 -2.113 1190 H LEU 69 HN LEU 69 11.470 -5.124 -5.627 1191 HA LEU 69 HA LEU 69 11.961 -7.847 -6.223 1192 1HB LEU 69 HB2 LEU 69 13.021 -5.328 -7.484 1193 2HB LEU 69 HB1 LEU 69 13.316 -6.933 -8.121 1194 HG LEU 69 HG LEU 69 10.622 -5.601 -7.851 1195 1HD1 LEU 69 HD11 LEU 69 11.941 -4.667 -9.654 1196 2HD1 LEU 69 HD12 LEU 69 10.638 -5.661 -10.307 1197 3HD1 LEU 69 HD13 LEU 69 12.288 -6.283 -10.267 1198 1HD2 LEU 69 HD21 LEU 69 11.351 -8.306 -8.966 1199 2HD2 LEU 69 HD22 LEU 69 9.755 -7.559 -9.039 1200 3HD2 LEU 69 HD23 LEU 69 10.451 -8.002 -7.480 1201 H GLU 70 HN GLU 70 13.710 -5.671 -4.277 1202 HA GLU 70 HA GLU 70 16.053 -7.457 -4.428 1203 1HB GLU 70 HB2 GLU 70 16.313 -5.086 -5.384 1204 2HB GLU 70 HB1 GLU 70 16.222 -4.532 -3.719 1205 1HG GLU 70 HG2 GLU 70 18.519 -4.703 -4.429 1206 2HG GLU 70 HG1 GLU 70 18.184 -5.892 -3.171 1207 H HIS 71 HN HIS 71 13.534 -7.052 -2.649 1208 HA HIS 71 HA HIS 71 14.730 -6.450 -0.063 1209 1HB HIS 71 HB2 HIS 71 12.383 -5.732 -0.818 1210 2HB HIS 71 HB1 HIS 71 11.911 -7.406 -0.552 1211 HD1 HIS 71 HD1 HIS 71 11.679 -8.202 1.901 1212 HD2 HIS 71 HD2 HIS 71 12.891 -4.238 1.507 1213 HE1 HIS 71 HE1 HIS 71 11.408 -7.174 4.182 1214 HE2 HIS 71 HE2 HIS 71 12.124 -4.771 3.924 1215 H HIS 72 HN HIS 72 13.707 -9.195 -1.939 1216 HA HIS 72 HA HIS 72 13.932 -10.988 0.359 1217 1HB HIS 72 HB2 HIS 72 12.009 -11.270 -1.154 1218 2HB HIS 72 HB1 HIS 72 13.101 -11.535 -2.505 1219 HD1 HIS 72 HD1 HIS 72 12.763 -13.918 -3.103 1220 HD2 HIS 72 HD2 HIS 72 13.142 -13.383 1.004 1221 HE1 HIS 72 HE1 HIS 72 12.817 -16.233 -2.119 1222 HE2 HIS 72 HE2 HIS 72 13.177 -15.888 0.352 1223 H HIS 73 HN HIS 73 15.836 -9.692 -2.047 1224 HA HIS 73 HA HIS 73 18.014 -9.978 -2.611 1225 1HB HIS 73 HB2 HIS 73 18.378 -10.594 -0.236 1226 2HB HIS 73 HB1 HIS 73 18.003 -12.267 -0.623 1227 HD1 HIS 73 HD1 HIS 73 20.564 -9.622 -1.617 1228 HD2 HIS 73 HD2 HIS 73 20.182 -13.746 -1.207 1229 HE1 HIS 73 HE1 HIS 73 22.865 -10.568 -2.030 1230 HE2 HIS 73 HE2 HIS 73 22.552 -13.072 -1.991 1231 H HIS 74 HN HIS 74 19.360 -11.368 -3.958 1232 HA HIS 74 HA HIS 74 17.751 -12.942 -5.732 1233 1HB HIS 74 HB2 HIS 74 20.763 -12.611 -5.687 1234 2HB HIS 74 HB1 HIS 74 19.811 -13.260 -7.017 1235 HD1 HIS 74 HD1 HIS 74 21.461 -11.019 -7.874 1236 HD2 HIS 74 HD2 HIS 74 17.783 -10.370 -6.042 1237 HE1 HIS 74 HE1 HIS 74 20.781 -8.685 -8.517 1238 HE2 HIS 74 HE2 HIS 74 18.712 -8.226 -7.147 1239 H HIS 75 HN HIS 75 17.840 -15.183 -6.082 1240 HA HIS 75 HA HIS 75 19.219 -16.716 -4.006 1241 1HB HIS 75 HB2 HIS 75 17.105 -18.077 -3.656 1242 2HB HIS 75 HB1 HIS 75 17.113 -16.461 -2.965 1243 HD1 HIS 75 HD1 HIS 75 15.066 -18.666 -4.949 1244 HD2 HIS 75 HD2 HIS 75 15.636 -14.551 -4.707 1245 HE1 HIS 75 HE1 HIS 75 13.053 -17.638 -6.033 1246 HE2 HIS 75 HE2 HIS 75 13.295 -15.161 -5.641 1247 H HIS 76 HN HIS 76 20.427 -18.094 -5.000 1248 HA HIS 76 HA HIS 76 19.288 -20.014 -6.818 1249 1HB HIS 76 HB2 HIS 76 19.960 -18.143 -8.335 1250 2HB HIS 76 HB1 HIS 76 21.609 -18.290 -7.741 1251 HD1 HIS 76 HD1 HIS 76 19.165 -19.823 -10.077 1252 HD2 HIS 76 HD2 HIS 76 23.006 -20.582 -8.675 1253 HE1 HIS 76 HE1 HIS 76 20.113 -21.577 -11.606 1254 HE2 HIS 76 HE2 HIS 76 22.496 -21.892 -10.848 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -9.953 -15.954 -13.081 2 2H MET 1 HT2 MET 1 -9.286 -15.296 -14.490 3 3H MET 1 HT3 MET 1 -10.891 -15.824 -14.487 4 HA MET 1 HA MET 1 -9.739 -13.536 -13.020 5 1HB MET 1 HB2 MET 1 -11.645 -13.746 -15.341 6 2HB MET 1 HB1 MET 1 -11.541 -12.294 -14.356 7 1HG MET 1 HG2 MET 1 -10.210 -12.094 -16.375 8 2HG MET 1 HG1 MET 1 -9.198 -12.041 -14.936 9 1HE MET 1 HE1 MET 1 -8.064 -12.496 -17.884 10 2HE MET 1 HE2 MET 1 -6.892 -13.781 -17.594 11 3HE MET 1 HE3 MET 1 -7.042 -12.447 -16.448 12 HA PRO 2 HA PRO 2 -14.212 -14.030 -11.347 13 1HB PRO 2 HB2 PRO 2 -15.582 -16.297 -11.922 14 2HB PRO 2 HB1 PRO 2 -15.705 -14.830 -12.903 15 1HG PRO 2 HG2 PRO 2 -14.089 -17.302 -13.381 16 2HG PRO 2 HG1 PRO 2 -15.036 -16.344 -14.533 17 1HD PRO 2 HD2 PRO 2 -12.337 -16.139 -14.315 18 2HD PRO 2 HD1 PRO 2 -13.372 -14.778 -14.793 19 H ILE 3 HN ILE 3 -13.110 -14.326 -9.440 20 HA ILE 3 HA ILE 3 -12.378 -17.060 -8.681 21 HB ILE 3 HB ILE 3 -11.644 -14.447 -7.338 22 1HG1 ILE 3 HG12 ILE 3 -9.944 -16.280 -9.052 23 2HG1 ILE 3 HG11 ILE 3 -10.626 -14.748 -9.590 24 1HG2 ILE 3 HG21 ILE 3 -11.695 -16.296 -5.767 25 2HG2 ILE 3 HG22 ILE 3 -10.027 -15.819 -6.082 26 3HG2 ILE 3 HG23 ILE 3 -10.687 -17.266 -6.841 27 1HD1 ILE 3 HD11 ILE 3 -8.273 -14.546 -8.986 28 2HD1 ILE 3 HD12 ILE 3 -8.645 -15.091 -7.350 29 3HD1 ILE 3 HD13 ILE 3 -9.298 -13.562 -7.941 30 H VAL 4 HN VAL 4 -13.866 -18.137 -7.572 31 HA VAL 4 HA VAL 4 -15.922 -16.843 -6.055 32 HB VAL 4 HB VAL 4 -15.126 -19.763 -5.998 33 1HG1 VAL 4 HG11 VAL 4 -17.429 -20.121 -5.230 34 2HG1 VAL 4 HG12 VAL 4 -17.693 -18.379 -5.227 35 3HG1 VAL 4 HG13 VAL 4 -16.522 -19.095 -4.119 36 1HG2 VAL 4 HG21 VAL 4 -15.633 -19.104 -8.278 37 2HG2 VAL 4 HG22 VAL 4 -17.135 -18.348 -7.751 38 3HG2 VAL 4 HG23 VAL 4 -16.940 -20.098 -7.634 39 H SER 5 HN SER 5 -15.168 -15.693 -4.364 40 HA SER 5 HA SER 5 -13.320 -17.040 -2.517 41 1HB SER 5 HB2 SER 5 -12.390 -15.036 -3.682 42 2HB SER 5 HB1 SER 5 -13.654 -14.061 -2.935 43 HG SER 5 HG SER 5 -11.335 -14.562 -1.933 44 H LYS 6 HN LYS 6 -13.478 -16.112 -0.248 45 HA LYS 6 HA LYS 6 -16.235 -16.414 0.578 46 1HB LYS 6 HB2 LYS 6 -14.303 -17.612 1.676 47 2HB LYS 6 HB1 LYS 6 -13.790 -16.057 2.315 48 1HG LYS 6 HG2 LYS 6 -15.974 -15.860 3.465 49 2HG LYS 6 HG1 LYS 6 -16.376 -17.483 2.906 50 1HD LYS 6 HD2 LYS 6 -14.338 -18.319 4.067 51 2HD LYS 6 HD1 LYS 6 -14.099 -16.699 4.720 52 1HE LYS 6 HE2 LYS 6 -16.466 -18.506 5.201 53 2HE LYS 6 HE1 LYS 6 -15.199 -18.101 6.357 54 1HZ LYS 6 HZ1 LYS 6 -17.280 -16.297 5.246 55 2HZ LYS 6 HZ2 LYS 6 -15.939 -15.734 6.114 56 3HZ LYS 6 HZ3 LYS 6 -17.056 -16.761 6.865 57 H TYR 7 HN TYR 7 -13.887 -13.873 0.243 58 HA TYR 7 HA TYR 7 -15.403 -12.116 1.995 59 1HB TYR 7 HB2 TYR 7 -13.614 -10.416 1.399 60 2HB TYR 7 HB1 TYR 7 -13.093 -11.818 2.316 61 HD1 TYR 7 HD2 TYR 7 -13.209 -10.482 -1.180 62 HD2 TYR 7 HD1 TYR 7 -11.271 -13.056 1.601 63 HE1 TYR 7 HE2 TYR 7 -11.406 -10.877 -2.809 64 HE2 TYR 7 HE1 TYR 7 -9.465 -13.451 -0.014 65 HH TYR 7 HH TYR 7 -9.113 -11.611 -2.915 66 H SER 8 HN SER 8 -16.441 -10.277 1.382 67 HA SER 8 HA SER 8 -17.047 -10.036 -1.481 68 1HB SER 8 HB2 SER 8 -19.155 -8.901 -0.639 69 2HB SER 8 HB1 SER 8 -19.023 -10.618 -0.257 70 HG SER 8 HG SER 8 -19.476 -9.860 1.680 71 H ASN 9 HN ASN 9 -17.938 -7.631 -1.863 72 HA ASN 9 HA ASN 9 -15.667 -5.970 -1.666 73 1HB ASN 9 HB2 ASN 9 -18.528 -5.214 -2.293 74 2HB ASN 9 HB1 ASN 9 -17.131 -4.178 -2.552 75 1HD2 ASN 9 HD21 ASN 9 -19.060 -5.123 -4.451 76 2HD2 ASN 9 HD22 ASN 9 -18.186 -6.015 -5.653 77 H GLU 10 HN GLU 10 -18.485 -6.334 0.352 78 HA GLU 10 HA GLU 10 -18.331 -3.948 1.821 79 1HB GLU 10 HB2 GLU 10 -19.244 -6.667 2.778 80 2HB GLU 10 HB1 GLU 10 -19.623 -5.128 3.534 81 1HG GLU 10 HG2 GLU 10 -20.867 -4.446 1.559 82 2HG GLU 10 HG1 GLU 10 -20.479 -5.982 0.785 83 H ARG 11 HN ARG 11 -16.799 -7.101 2.280 84 HA ARG 11 HA ARG 11 -15.563 -6.425 4.748 85 1HB ARG 11 HB2 ARG 11 -16.012 -8.761 4.027 86 2HB ARG 11 HB1 ARG 11 -14.779 -8.586 2.786 87 1HG ARG 11 HG2 ARG 11 -13.072 -8.277 4.467 88 2HG ARG 11 HG1 ARG 11 -14.289 -8.331 5.744 89 1HD ARG 11 HD2 ARG 11 -14.832 -10.629 5.147 90 2HD ARG 11 HD1 ARG 11 -13.656 -10.577 3.834 91 HE ARG 11 HE ARG 11 -12.338 -9.904 6.210 92 1HH1 ARG 11 HH11 ARG 11 -13.957 -12.700 4.825 93 2HH1 ARG 11 HH12 ARG 11 -12.948 -13.848 5.653 94 1HH2 ARG 11 HH21 ARG 11 -11.015 -11.403 7.263 95 2HH2 ARG 11 HH22 ARG 11 -11.254 -13.107 7.021 96 H VAL 12 HN VAL 12 -14.620 -6.220 1.376 97 HA VAL 12 HA VAL 12 -11.915 -5.534 1.724 98 HB VAL 12 HB VAL 12 -13.795 -4.568 -0.438 99 1HG1 VAL 12 HG11 VAL 12 -10.787 -4.774 -0.412 100 2HG1 VAL 12 HG12 VAL 12 -11.727 -3.283 -0.343 101 3HG1 VAL 12 HG13 VAL 12 -11.779 -4.294 -1.788 102 1HG2 VAL 12 HG21 VAL 12 -13.811 -6.985 -0.319 103 2HG2 VAL 12 HG22 VAL 12 -12.048 -7.021 -0.331 104 3HG2 VAL 12 HG23 VAL 12 -12.928 -6.460 -1.753 105 H GLU 13 HN GLU 13 -14.800 -3.482 1.361 106 HA GLU 13 HA GLU 13 -13.650 -0.994 1.794 107 1HB GLU 13 HB2 GLU 13 -16.379 -2.060 2.513 108 2HB GLU 13 HB1 GLU 13 -15.937 -0.369 2.691 109 1HG GLU 13 HG2 GLU 13 -15.630 -1.763 0.066 110 2HG GLU 13 HG1 GLU 13 -17.187 -1.112 0.576 111 H LYS 14 HN LYS 14 -14.773 -3.393 4.116 112 HA LYS 14 HA LYS 14 -14.471 -1.934 6.478 113 1HB LYS 14 HB2 LYS 14 -15.619 -4.040 6.501 114 2HB LYS 14 HB1 LYS 14 -14.192 -4.889 5.926 115 1HG LYS 14 HG2 LYS 14 -13.052 -4.263 8.054 116 2HG LYS 14 HG1 LYS 14 -14.592 -3.614 8.621 117 1HD LYS 14 HD2 LYS 14 -15.619 -5.783 8.464 118 2HD LYS 14 HD1 LYS 14 -14.172 -6.461 7.716 119 1HE LYS 14 HE2 LYS 14 -12.908 -6.028 9.759 120 2HE LYS 14 HE1 LYS 14 -14.343 -5.330 10.506 121 1HZ LYS 14 HZ1 LYS 14 -15.431 -7.445 10.418 122 2HZ LYS 14 HZ2 LYS 14 -13.920 -7.658 11.153 123 3HZ LYS 14 HZ3 LYS 14 -14.151 -8.131 9.545 124 H ILE 15 HN ILE 15 -12.141 -4.045 4.813 125 HA ILE 15 HA ILE 15 -10.071 -3.750 6.707 126 HB ILE 15 HB ILE 15 -9.783 -4.365 3.760 127 1HG1 ILE 15 HG12 ILE 15 -10.165 -6.233 6.107 128 2HG1 ILE 15 HG11 ILE 15 -11.386 -5.862 4.899 129 1HG2 ILE 15 HG21 ILE 15 -7.718 -5.484 4.429 130 2HG2 ILE 15 HG22 ILE 15 -7.991 -5.000 6.102 131 3HG2 ILE 15 HG23 ILE 15 -7.680 -3.776 4.869 132 1HD1 ILE 15 HD11 ILE 15 -10.011 -6.881 3.179 133 2HD1 ILE 15 HD12 ILE 15 -10.332 -8.012 4.492 134 3HD1 ILE 15 HD13 ILE 15 -8.759 -7.225 4.371 135 H ILE 16 HN ILE 16 -10.793 -2.048 3.686 136 HA ILE 16 HA ILE 16 -8.584 -0.313 3.695 137 HB ILE 16 HB ILE 16 -11.365 0.257 2.646 138 1HG1 ILE 16 HG12 ILE 16 -8.975 -0.876 1.175 139 2HG1 ILE 16 HG11 ILE 16 -10.305 -1.852 1.790 140 1HG2 ILE 16 HG21 ILE 16 -10.247 1.833 1.145 141 2HG2 ILE 16 HG22 ILE 16 -8.700 1.473 1.913 142 3HG2 ILE 16 HG23 ILE 16 -9.981 2.261 2.836 143 1HD1 ILE 16 HD11 ILE 16 -11.852 -0.653 0.339 144 2HD1 ILE 16 HD12 ILE 16 -10.553 -1.415 -0.579 145 3HD1 ILE 16 HD13 ILE 16 -10.519 0.323 -0.276 146 H GLN 17 HN GLN 17 -11.756 -0.093 5.225 147 HA GLN 17 HA GLN 17 -11.495 2.550 6.189 148 1HB GLN 17 HB2 GLN 17 -13.663 1.398 6.025 149 2HB GLN 17 HB1 GLN 17 -13.161 0.268 7.274 150 1HG GLN 17 HG2 GLN 17 -14.647 1.977 8.163 151 2HG GLN 17 HG1 GLN 17 -13.048 2.070 8.895 152 1HE2 GLN 17 HE21 GLN 17 -11.745 3.837 8.488 153 2HE2 GLN 17 HE22 GLN 17 -12.342 5.278 7.735 154 H ASP 18 HN ASP 18 -10.714 -0.605 7.618 155 HA ASP 18 HA ASP 18 -9.969 0.418 10.157 156 1HB ASP 18 HB2 ASP 18 -10.524 -1.998 9.574 157 2HB ASP 18 HB1 ASP 18 -8.903 -2.116 8.899 158 H LEU 19 HN LEU 19 -8.184 -0.218 7.184 159 HA LEU 19 HA LEU 19 -5.602 0.438 8.118 160 1HB LEU 19 HB2 LEU 19 -6.836 0.677 5.374 161 2HB LEU 19 HB1 LEU 19 -5.134 0.945 5.698 162 HG LEU 19 HG LEU 19 -6.557 -1.660 6.246 163 1HD1 LEU 19 HD11 LEU 19 -6.571 -1.181 3.859 164 2HD1 LEU 19 HD12 LEU 19 -5.446 -2.488 4.233 165 3HD1 LEU 19 HD13 LEU 19 -4.837 -0.866 3.900 166 1HD2 LEU 19 HD21 LEU 19 -4.562 -1.291 7.600 167 2HD2 LEU 19 HD22 LEU 19 -3.629 -0.932 6.147 168 3HD2 LEU 19 HD23 LEU 19 -4.281 -2.551 6.399 169 H LEU 20 HN LEU 20 -8.025 2.432 6.433 170 HA LEU 20 HA LEU 20 -6.571 4.843 6.588 171 1HB LEU 20 HB2 LEU 20 -9.533 4.345 6.318 172 2HB LEU 20 HB1 LEU 20 -8.793 5.927 6.178 173 HG LEU 20 HG LEU 20 -8.243 3.578 4.358 174 1HD1 LEU 20 HD11 LEU 20 -9.848 6.097 3.940 175 2HD1 LEU 20 HD12 LEU 20 -10.467 4.446 3.999 176 3HD1 LEU 20 HD13 LEU 20 -9.421 4.948 2.673 177 1HD2 LEU 20 HD21 LEU 20 -6.299 5.036 4.605 178 2HD2 LEU 20 HD22 LEU 20 -7.294 6.441 4.224 179 3HD2 LEU 20 HD23 LEU 20 -7.013 5.202 3.002 180 H ASP 21 HN ASP 21 -8.617 3.185 8.835 181 HA ASP 21 HA ASP 21 -9.211 5.307 10.579 182 1HB ASP 21 HB2 ASP 21 -9.725 2.562 10.495 183 2HB ASP 21 HB1 ASP 21 -8.796 2.794 11.973 184 H VAL 22 HN VAL 22 -6.555 2.941 10.582 185 HA VAL 22 HA VAL 22 -5.166 3.932 12.805 186 HB VAL 22 HB VAL 22 -4.014 2.616 10.332 187 1HG1 VAL 22 HG11 VAL 22 -2.298 3.756 11.635 188 2HG1 VAL 22 HG12 VAL 22 -2.126 2.005 11.758 189 3HG1 VAL 22 HG13 VAL 22 -2.833 2.917 13.092 190 1HG2 VAL 22 HG21 VAL 22 -5.708 1.231 11.398 191 2HG2 VAL 22 HG22 VAL 22 -4.896 1.413 12.953 192 3HG2 VAL 22 HG23 VAL 22 -4.101 0.547 11.638 193 H LEU 23 HN LEU 23 -4.940 4.773 9.375 194 HA LEU 23 HA LEU 23 -2.738 6.493 9.546 195 1HB LEU 23 HB2 LEU 23 -5.041 6.538 7.597 196 2HB LEU 23 HB1 LEU 23 -3.536 7.417 7.394 197 HG LEU 23 HG LEU 23 -3.799 4.410 7.511 198 1HD1 LEU 23 HD11 LEU 23 -4.732 5.323 5.462 199 2HD1 LEU 23 HD12 LEU 23 -3.211 4.491 5.138 200 3HD1 LEU 23 HD13 LEU 23 -3.258 6.253 5.188 201 1HD2 LEU 23 HD21 LEU 23 -1.406 6.171 6.983 202 2HD2 LEU 23 HD22 LEU 23 -1.443 4.415 6.824 203 3HD2 LEU 23 HD23 LEU 23 -1.671 5.160 8.406 204 H VAL 24 HN VAL 24 -6.212 7.179 9.850 205 HA VAL 24 HA VAL 24 -5.745 10.006 10.202 206 HB VAL 24 HB VAL 24 -8.274 8.412 10.644 207 1HG1 VAL 24 HG11 VAL 24 -8.281 10.510 11.880 208 2HG1 VAL 24 HG12 VAL 24 -9.409 10.581 10.523 209 3HG1 VAL 24 HG13 VAL 24 -7.845 11.391 10.415 210 1HG2 VAL 24 HG21 VAL 24 -8.952 9.344 8.461 211 2HG2 VAL 24 HG22 VAL 24 -7.550 8.283 8.339 212 3HG2 VAL 24 HG23 VAL 24 -7.340 10.033 8.276 213 H LYS 25 HN LYS 25 -6.297 7.223 12.244 214 HA LYS 25 HA LYS 25 -6.762 8.388 14.719 215 1HB LYS 25 HB2 LYS 25 -6.859 5.998 14.433 216 2HB LYS 25 HB1 LYS 25 -5.168 5.930 13.964 217 1HG LYS 25 HG2 LYS 25 -4.625 6.759 16.283 218 2HG LYS 25 HG1 LYS 25 -6.319 6.459 16.683 219 1HD LYS 25 HD2 LYS 25 -6.087 4.128 16.101 220 2HD LYS 25 HD1 LYS 25 -4.432 4.401 15.552 221 1HE LYS 25 HE2 LYS 25 -4.303 3.437 17.718 222 2HE LYS 25 HE1 LYS 25 -3.882 5.141 17.880 223 1HZ LYS 25 HZ1 LYS 25 -5.326 4.751 19.629 224 2HZ LYS 25 HZ2 LYS 25 -6.350 3.761 18.713 225 3HZ LYS 25 HZ3 LYS 25 -6.346 5.433 18.459 226 H GLU 26 HN GLU 26 -3.712 7.683 13.101 227 HA GLU 26 HA GLU 26 -2.172 8.992 15.189 228 1HB GLU 26 HB2 GLU 26 -1.271 7.741 12.582 229 2HB GLU 26 HB1 GLU 26 -0.224 8.257 13.897 230 1HG GLU 26 HG2 GLU 26 -2.294 6.084 14.089 231 2HG GLU 26 HG1 GLU 26 -0.569 5.829 13.835 232 H GLU 27 HN GLU 27 -3.914 9.952 12.601 233 HA GLU 27 HA GLU 27 -3.768 11.472 10.911 234 1HB GLU 27 HB2 GLU 27 -3.319 13.817 11.884 235 2HB GLU 27 HB1 GLU 27 -4.702 12.905 12.459 236 1HG GLU 27 HG2 GLU 27 -3.344 12.219 14.424 237 2HG GLU 27 HG1 GLU 27 -2.077 13.307 13.859 238 H VAL 28 HN VAL 28 -1.819 10.109 10.291 239 HA VAL 28 HA VAL 28 0.770 11.272 10.545 240 HB VAL 28 HB VAL 28 1.498 9.555 8.959 241 1HG1 VAL 28 HG11 VAL 28 0.858 7.587 10.273 242 2HG1 VAL 28 HG12 VAL 28 -0.430 8.519 11.036 243 3HG1 VAL 28 HG13 VAL 28 1.256 8.961 11.307 244 1HG2 VAL 28 HG21 VAL 28 -1.438 8.906 8.700 245 2HG2 VAL 28 HG22 VAL 28 -0.116 7.938 8.049 246 3HG2 VAL 28 HG23 VAL 28 -0.400 9.569 7.438 247 H THR 29 HN THR 29 2.116 11.899 8.700 248 HA THR 29 HA THR 29 0.713 13.745 6.966 249 HB THR 29 HB THR 29 3.092 14.318 6.247 250 HG1 THR 29 HG1 THR 29 4.568 13.527 8.091 251 1HG2 THR 29 HG21 THR 29 2.392 14.565 9.177 252 2HG2 THR 29 HG22 THR 29 1.877 15.656 7.891 253 3HG2 THR 29 HG23 THR 29 3.585 15.542 8.321 254 HA PRO 30 HA PRO 30 0.601 11.484 3.154 255 1HB PRO 30 HB2 PRO 30 2.453 13.539 2.032 256 2HB PRO 30 HB1 PRO 30 0.922 12.933 1.388 257 1HG PRO 30 HG2 PRO 30 1.052 15.316 2.575 258 2HG PRO 30 HG1 PRO 30 -0.349 14.256 2.806 259 1HD PRO 30 HD2 PRO 30 1.881 14.884 4.671 260 2HD PRO 30 HD1 PRO 30 0.184 14.503 5.021 261 H ASP 31 HN ASP 31 3.845 12.864 3.712 262 HA ASP 31 HA ASP 31 5.357 10.960 2.352 263 1HB ASP 31 HB2 ASP 31 6.078 12.540 4.834 264 2HB ASP 31 HB1 ASP 31 7.230 11.641 3.857 265 H LEU 32 HN LEU 32 4.456 11.081 5.770 266 HA LEU 32 HA LEU 32 5.774 8.727 6.550 267 1HB LEU 32 HB2 LEU 32 5.053 10.457 8.117 268 2HB LEU 32 HB1 LEU 32 3.376 10.113 7.753 269 HG LEU 32 HG LEU 32 3.543 7.934 8.807 270 1HD1 LEU 32 HD11 LEU 32 5.583 7.215 9.925 271 2HD1 LEU 32 HD12 LEU 32 6.428 8.641 9.319 272 3HD1 LEU 32 HD13 LEU 32 5.850 7.413 8.193 273 1HD2 LEU 32 HD21 LEU 32 3.952 8.643 11.110 274 2HD2 LEU 32 HD22 LEU 32 3.032 9.858 10.223 275 3HD2 LEU 32 HD23 LEU 32 4.752 10.101 10.524 276 H ALA 33 HN ALA 33 2.412 9.334 5.596 277 HA ALA 33 HA ALA 33 1.397 6.768 6.063 278 1HB ALA 33 HB1 ALA 33 -0.418 7.385 4.563 279 2HB ALA 33 HB2 ALA 33 0.531 8.738 3.949 280 3HB ALA 33 HB3 ALA 33 -0.010 8.733 5.627 281 H LEU 34 HN LEU 34 2.644 8.180 3.037 282 HA LEU 34 HA LEU 34 2.218 5.907 1.452 283 1HB LEU 34 HB2 LEU 34 4.215 8.144 1.129 284 2HB LEU 34 HB1 LEU 34 3.868 6.942 -0.101 285 HG LEU 34 HG LEU 34 1.913 8.967 1.000 286 1HD1 LEU 34 HD11 LEU 34 3.560 9.981 -0.459 287 2HD1 LEU 34 HD12 LEU 34 1.997 9.898 -1.274 288 3HD1 LEU 34 HD13 LEU 34 3.267 8.746 -1.684 289 1HD2 LEU 34 HD21 LEU 34 1.560 6.878 -1.152 290 2HD2 LEU 34 HD22 LEU 34 0.390 8.131 -0.734 291 3HD2 LEU 34 HD23 LEU 34 0.795 6.876 0.438 292 H MET 35 HN MET 35 5.075 6.949 3.282 293 HA MET 35 HA MET 35 6.781 4.925 2.301 294 1HB MET 35 HB2 MET 35 7.599 6.973 3.417 295 2HB MET 35 HB1 MET 35 6.960 6.381 4.944 296 1HG MET 35 HG2 MET 35 8.500 4.554 4.958 297 2HG MET 35 HG1 MET 35 9.035 4.932 3.322 298 1HE MET 35 HE1 MET 35 8.259 7.475 6.204 299 2HE MET 35 HE2 MET 35 9.848 7.683 6.940 300 3HE MET 35 HE3 MET 35 9.007 6.139 7.081 301 H CYS 36 HN CYS 36 4.650 5.045 5.128 302 HA CYS 36 HA CYS 36 5.467 2.535 6.174 303 1HB CYS 36 HB2 CYS 36 2.864 4.025 6.557 304 2HB CYS 36 HB1 CYS 36 3.415 2.667 7.532 305 HG CYS 36 HG CYS 36 4.718 5.819 7.419 306 H LEU 37 HN LEU 37 2.724 3.526 4.142 307 HA LEU 37 HA LEU 37 1.547 0.989 3.890 308 1HB LEU 37 HB2 LEU 37 1.518 3.347 2.002 309 2HB LEU 37 HB1 LEU 37 0.495 1.933 1.826 310 HG LEU 37 HG LEU 37 0.442 3.815 4.191 311 1HD1 LEU 37 HD11 LEU 37 -1.677 4.599 3.289 312 2HD1 LEU 37 HD12 LEU 37 -1.481 3.553 1.883 313 3HD1 LEU 37 HD13 LEU 37 -0.364 4.892 2.148 314 1HD2 LEU 37 HD21 LEU 37 -1.627 2.628 4.767 315 2HD2 LEU 37 HD22 LEU 37 -0.228 1.553 4.776 316 3HD2 LEU 37 HD23 LEU 37 -1.359 1.520 3.422 317 H GLY 38 HN GLY 38 3.994 2.633 1.920 318 1HA GLY 38 HA2 GLY 38 4.189 0.789 -0.160 319 2HA GLY 38 HA1 GLY 38 5.497 1.824 0.386 320 H ASN 39 HN ASN 39 5.903 0.815 2.947 321 HA ASN 39 HA ASN 39 7.464 -1.483 2.353 322 1HB ASN 39 HB2 ASN 39 6.807 -0.039 4.908 323 2HB ASN 39 HB1 ASN 39 7.714 -1.546 4.923 324 1HD2 ASN 39 HD21 ASN 39 8.501 1.181 5.675 325 2HD2 ASN 39 HD22 ASN 39 9.905 1.544 4.731 326 H ALA 40 HN ALA 40 4.345 -0.985 3.912 327 HA ALA 40 HA ALA 40 3.952 -3.613 4.841 328 1HB ALA 40 HB1 ALA 40 1.884 -1.603 3.940 329 2HB ALA 40 HB2 ALA 40 2.560 -1.736 5.564 330 3HB ALA 40 HB3 ALA 40 1.574 -3.044 4.910 331 H VAL 41 HN VAL 41 3.040 -2.038 1.792 332 HA VAL 41 HA VAL 41 1.818 -4.248 0.562 333 HB VAL 41 HB VAL 41 3.381 -2.046 -0.803 334 1HG1 VAL 41 HG11 VAL 41 2.967 -3.893 -2.294 335 2HG1 VAL 41 HG12 VAL 41 1.912 -2.545 -2.726 336 3HG1 VAL 41 HG13 VAL 41 1.264 -3.922 -1.835 337 1HG2 VAL 41 HG21 VAL 41 1.632 -1.136 0.646 338 2HG2 VAL 41 HG22 VAL 41 0.440 -2.160 -0.153 339 3HG2 VAL 41 HG23 VAL 41 1.260 -0.888 -1.058 340 H THR 42 HN THR 42 5.143 -3.040 0.293 341 HA THR 42 HA THR 42 6.104 -4.938 -1.499 342 HB THR 42 HB THR 42 7.627 -3.493 0.678 343 HG1 THR 42 HG1 THR 42 6.802 -1.903 -0.548 344 1HG2 THR 42 HG21 THR 42 8.585 -4.739 -1.902 345 2HG2 THR 42 HG22 THR 42 8.919 -5.327 -0.273 346 3HG2 THR 42 HG23 THR 42 9.571 -3.776 -0.801 347 H ASN 43 HN ASN 43 5.888 -5.037 2.017 348 HA ASN 43 HA ASN 43 7.583 -7.270 2.352 349 1HB ASN 43 HB2 ASN 43 6.846 -5.572 4.124 350 2HB ASN 43 HB1 ASN 43 5.374 -6.530 4.258 351 1HD2 ASN 43 HD21 ASN 43 5.798 -7.164 6.353 352 2HD2 ASN 43 HD22 ASN 43 7.055 -8.291 6.753 353 H ILE 44 HN ILE 44 4.093 -6.982 1.816 354 HA ILE 44 HA ILE 44 3.740 -9.818 2.296 355 HB ILE 44 HB ILE 44 1.988 -8.116 2.925 356 1HG1 ILE 44 HG12 ILE 44 1.040 -10.333 1.096 357 2HG1 ILE 44 HG11 ILE 44 1.613 -10.586 2.742 358 1HG2 ILE 44 HG21 ILE 44 1.958 -6.728 0.959 359 2HG2 ILE 44 HG22 ILE 44 0.373 -7.482 1.144 360 3HG2 ILE 44 HG23 ILE 44 1.510 -8.102 -0.051 361 1HD1 ILE 44 HD11 ILE 44 -0.772 -8.934 1.945 362 2HD1 ILE 44 HD12 ILE 44 -0.207 -9.213 3.592 363 3HD1 ILE 44 HD13 ILE 44 -0.814 -10.559 2.627 364 H ILE 45 HN ILE 45 4.186 -7.699 -0.433 365 HA ILE 45 HA ILE 45 3.415 -9.514 -2.463 366 HB ILE 45 HB ILE 45 5.436 -7.262 -2.506 367 1HG1 ILE 45 HG12 ILE 45 2.604 -7.482 -3.551 368 2HG1 ILE 45 HG11 ILE 45 3.127 -6.550 -2.151 369 1HG2 ILE 45 HG21 ILE 45 4.382 -8.891 -4.816 370 2HG2 ILE 45 HG22 ILE 45 6.048 -8.834 -4.241 371 3HG2 ILE 45 HG23 ILE 45 5.315 -7.404 -4.970 372 1HD1 ILE 45 HD11 ILE 45 4.461 -5.114 -3.609 373 2HD1 ILE 45 HD12 ILE 45 2.760 -5.113 -4.071 374 3HD1 ILE 45 HD13 ILE 45 3.928 -6.044 -5.009 375 H ALA 46 HN ALA 46 6.327 -9.124 -0.565 376 HA ALA 46 HA ALA 46 7.927 -10.919 -2.105 377 1HB ALA 46 HB1 ALA 46 9.474 -10.818 -0.203 378 2HB ALA 46 HB2 ALA 46 8.256 -9.947 0.728 379 3HB ALA 46 HB3 ALA 46 8.951 -9.215 -0.717 380 H GLN 47 HN GLN 47 5.413 -11.358 0.136 381 HA GLN 47 HA GLN 47 6.218 -14.009 0.973 382 1HB GLN 47 HB2 GLN 47 3.568 -12.580 1.295 383 2HB GLN 47 HB1 GLN 47 4.023 -14.085 2.081 384 1HG GLN 47 HG2 GLN 47 5.726 -12.974 3.350 385 2HG GLN 47 HG1 GLN 47 5.455 -11.471 2.470 386 1HE2 GLN 47 HE21 GLN 47 4.971 -10.309 4.301 387 2HE2 GLN 47 HE22 GLN 47 3.502 -10.524 5.187 388 H VAL 48 HN VAL 48 4.699 -12.552 -1.653 389 HA VAL 48 HA VAL 48 3.140 -14.827 -2.504 390 HB VAL 48 HB VAL 48 3.966 -12.368 -4.070 391 1HG1 VAL 48 HG11 VAL 48 3.232 -14.166 -5.509 392 2HG1 VAL 48 HG12 VAL 48 2.014 -12.889 -5.468 393 3HG1 VAL 48 HG13 VAL 48 1.769 -14.372 -4.547 394 1HG2 VAL 48 HG21 VAL 48 1.762 -11.462 -3.510 395 2HG2 VAL 48 HG22 VAL 48 2.742 -11.727 -2.067 396 3HG2 VAL 48 HG23 VAL 48 1.452 -12.858 -2.480 397 HA PRO 49 HA PRO 49 6.402 -17.263 -4.353 398 1HB PRO 49 HB2 PRO 49 4.331 -17.499 -6.500 399 2HB PRO 49 HB1 PRO 49 5.324 -18.758 -5.756 400 1HG PRO 49 HG2 PRO 49 2.769 -18.430 -5.056 401 2HG PRO 49 HG1 PRO 49 4.004 -18.866 -3.859 402 1HD PRO 49 HD2 PRO 49 2.597 -16.288 -4.270 403 2HD PRO 49 HD1 PRO 49 3.311 -16.963 -2.793 404 H GLU 50 HN GLU 50 8.081 -16.541 -5.458 405 HA GLU 50 HA GLU 50 8.241 -14.042 -6.599 406 1HB GLU 50 HB2 GLU 50 10.139 -15.412 -5.796 407 2HB GLU 50 HB1 GLU 50 9.996 -16.417 -7.229 408 1HG GLU 50 HG2 GLU 50 10.590 -14.571 -8.645 409 2HG GLU 50 HG1 GLU 50 10.579 -13.467 -7.270 410 H SER 51 HN SER 51 7.547 -17.090 -8.181 411 HA SER 51 HA SER 51 7.731 -16.469 -10.843 412 1HB SER 51 HB2 SER 51 7.180 -18.698 -10.019 413 2HB SER 51 HB1 SER 51 5.609 -18.128 -9.464 414 HG SER 51 HG SER 51 6.158 -17.663 -12.143 415 H LYS 52 HN LYS 52 5.223 -15.421 -8.590 416 HA LYS 52 HA LYS 52 4.078 -13.843 -10.801 417 1HB LYS 52 HB2 LYS 52 1.881 -13.992 -9.710 418 2HB LYS 52 HB1 LYS 52 2.492 -15.574 -10.166 419 1HG LYS 52 HG2 LYS 52 3.194 -15.943 -7.836 420 2HG LYS 52 HG1 LYS 52 2.499 -14.380 -7.406 421 1HD LYS 52 HD2 LYS 52 0.816 -15.879 -6.843 422 2HD LYS 52 HD1 LYS 52 0.328 -15.307 -8.436 423 1HE LYS 52 HE2 LYS 52 1.872 -17.851 -7.969 424 2HE LYS 52 HE1 LYS 52 0.117 -17.778 -8.069 425 1HZ LYS 52 HZ1 LYS 52 0.254 -17.032 -10.321 426 2HZ LYS 52 HZ2 LYS 52 1.213 -18.421 -10.166 427 3HZ LYS 52 HZ3 LYS 52 1.942 -16.898 -10.242 428 H ARG 53 HN ARG 53 5.994 -13.585 -8.304 429 HA ARG 53 HA ARG 53 4.866 -11.551 -6.680 430 1HB ARG 53 HB2 ARG 53 6.765 -12.980 -5.992 431 2HB ARG 53 HB1 ARG 53 7.773 -12.212 -7.207 432 1HG ARG 53 HG2 ARG 53 7.484 -10.059 -6.046 433 2HG ARG 53 HG1 ARG 53 6.549 -10.886 -4.799 434 1HD ARG 53 HD2 ARG 53 9.424 -11.437 -5.530 435 2HD ARG 53 HD1 ARG 53 8.865 -10.575 -4.099 436 HE ARG 53 HE ARG 53 7.618 -12.914 -3.804 437 1HH1 ARG 53 HH11 ARG 53 10.943 -12.221 -4.679 438 2HH1 ARG 53 HH12 ARG 53 11.573 -13.654 -3.938 439 1HH2 ARG 53 HH21 ARG 53 8.457 -14.793 -2.805 440 2HH2 ARG 53 HH22 ARG 53 10.167 -15.110 -2.858 441 H VAL 54 HN VAL 54 6.956 -11.532 -9.528 442 HA VAL 54 HA VAL 54 7.245 -8.705 -9.640 443 HB VAL 54 HB VAL 54 7.465 -10.682 -11.921 444 1HG1 VAL 54 HG11 VAL 54 8.950 -9.001 -12.923 445 2HG1 VAL 54 HG12 VAL 54 8.603 -7.909 -11.583 446 3HG1 VAL 54 HG13 VAL 54 7.315 -8.384 -12.691 447 1HG2 VAL 54 HG21 VAL 54 8.920 -11.343 -10.092 448 2HG2 VAL 54 HG22 VAL 54 9.575 -9.709 -9.997 449 3HG2 VAL 54 HG23 VAL 54 9.875 -10.698 -11.426 450 H ALA 55 HN ALA 55 4.927 -10.995 -10.928 451 HA ALA 55 HA ALA 55 3.601 -9.269 -12.714 452 1HB ALA 55 HB1 ALA 55 2.489 -11.653 -11.242 453 2HB ALA 55 HB2 ALA 55 3.368 -11.711 -12.769 454 3HB ALA 55 HB3 ALA 55 1.803 -10.902 -12.683 455 H VAL 56 HN VAL 56 2.847 -10.174 -9.347 456 HA VAL 56 HA VAL 56 0.480 -8.659 -9.218 457 HB VAL 56 HB VAL 56 0.613 -8.918 -6.764 458 1HG1 VAL 56 HG11 VAL 56 -0.368 -10.671 -8.139 459 2HG1 VAL 56 HG12 VAL 56 0.454 -11.360 -6.738 460 3HG1 VAL 56 HG13 VAL 56 1.214 -11.425 -8.328 461 1HG2 VAL 56 HG21 VAL 56 3.262 -10.240 -7.332 462 2HG2 VAL 56 HG22 VAL 56 2.426 -10.238 -5.779 463 3HG2 VAL 56 HG23 VAL 56 3.018 -8.725 -6.463 464 H VAL 57 HN VAL 57 3.836 -7.781 -8.506 465 HA VAL 57 HA VAL 57 3.086 -5.306 -7.267 466 HB VAL 57 HB VAL 57 5.228 -6.382 -6.704 467 1HG1 VAL 57 HG11 VAL 57 6.076 -5.604 -9.489 468 2HG1 VAL 57 HG12 VAL 57 5.851 -7.245 -8.887 469 3HG1 VAL 57 HG13 VAL 57 7.135 -6.233 -8.226 470 1HG2 VAL 57 HG21 VAL 57 6.612 -4.361 -6.738 471 2HG2 VAL 57 HG22 VAL 57 4.944 -4.014 -6.281 472 3HG2 VAL 57 HG23 VAL 57 5.509 -3.636 -7.909 473 H ASP 58 HN ASP 58 3.939 -6.310 -10.539 474 HA ASP 58 HA ASP 58 4.011 -3.649 -11.572 475 1HB ASP 58 HB2 ASP 58 4.036 -6.367 -12.758 476 2HB ASP 58 HB1 ASP 58 3.435 -5.068 -13.784 477 H ASN 59 HN ASN 59 1.490 -6.103 -11.240 478 HA ASN 59 HA ASN 59 -0.563 -4.671 -12.558 479 1HB ASN 59 HB2 ASN 59 -0.758 -6.611 -10.237 480 2HB ASN 59 HB1 ASN 59 -2.136 -6.007 -11.148 481 1HD2 ASN 59 HD21 ASN 59 -1.361 -8.724 -10.808 482 2HD2 ASN 59 HD22 ASN 59 -1.005 -9.357 -12.382 483 H PHE 60 HN PHE 60 0.491 -4.762 -9.197 484 HA PHE 60 HA PHE 60 -1.377 -3.030 -8.078 485 1HB PHE 60 HB2 PHE 60 0.295 -4.488 -6.877 486 2HB PHE 60 HB1 PHE 60 1.521 -3.290 -7.268 487 HD1 PHE 60 HD1 PHE 60 -1.704 -3.735 -5.502 488 HD2 PHE 60 HD2 PHE 60 1.869 -1.464 -5.888 489 HE1 PHE 60 HE1 PHE 60 -2.272 -2.499 -3.455 490 HE2 PHE 60 HE2 PHE 60 1.307 -0.223 -3.842 491 HZ PHE 60 HZ PHE 60 -0.765 -0.740 -2.620 492 H THR 61 HN THR 61 1.863 -2.314 -9.352 493 HA THR 61 HA THR 61 1.765 0.448 -8.801 494 HB THR 61 HB THR 61 3.683 0.555 -10.478 495 HG1 THR 61 HG1 THR 61 3.621 -2.276 -10.323 496 1HG2 THR 61 HG21 THR 61 4.104 0.368 -8.102 497 2HG2 THR 61 HG22 THR 61 5.223 -0.684 -8.974 498 3HG2 THR 61 HG23 THR 61 3.822 -1.375 -8.157 499 H LYS 62 HN LYS 62 1.048 -1.402 -11.743 500 HA LYS 62 HA LYS 62 0.531 0.761 -13.454 501 1HB LYS 62 HB2 LYS 62 0.759 -1.519 -14.285 502 2HB LYS 62 HB1 LYS 62 -0.686 -2.009 -13.410 503 1HG LYS 62 HG2 LYS 62 -2.008 -0.456 -14.810 504 2HG LYS 62 HG1 LYS 62 -0.545 -0.093 -15.730 505 1HD LYS 62 HD2 LYS 62 -0.356 -2.447 -16.362 506 2HD LYS 62 HD1 LYS 62 -1.807 -2.820 -15.430 507 1HE LYS 62 HE2 LYS 62 -1.669 -0.964 -17.803 508 2HE LYS 62 HE1 LYS 62 -2.262 -2.622 -17.836 509 1HZ LYS 62 HZ1 LYS 62 -3.962 -1.929 -16.182 510 2HZ LYS 62 HZ2 LYS 62 -4.120 -1.182 -17.696 511 3HZ LYS 62 HZ3 LYS 62 -3.461 -0.320 -16.397 512 H ALA 63 HN ALA 63 -1.688 -1.161 -11.441 513 HA ALA 63 HA ALA 63 -4.032 0.232 -12.064 514 1HB ALA 63 HB1 ALA 63 -3.355 -1.172 -9.481 515 2HB ALA 63 HB2 ALA 63 -4.003 -1.943 -10.928 516 3HB ALA 63 HB3 ALA 63 -4.971 -0.758 -10.051 517 H LEU 64 HN LEU 64 -1.703 0.710 -9.435 518 HA LEU 64 HA LEU 64 -2.896 2.717 -7.996 519 1HB LEU 64 HB2 LEU 64 -0.099 1.948 -8.548 520 2HB LEU 64 HB1 LEU 64 -0.338 3.567 -7.925 521 HG LEU 64 HG LEU 64 -1.298 1.044 -6.561 522 1HD1 LEU 64 HD11 LEU 64 0.525 1.411 -5.017 523 2HD1 LEU 64 HD12 LEU 64 1.046 2.826 -5.930 524 3HD1 LEU 64 HD13 LEU 64 1.153 1.221 -6.654 525 1HD2 LEU 64 HD21 LEU 64 -1.191 3.916 -5.644 526 2HD2 LEU 64 HD22 LEU 64 -1.671 2.535 -4.656 527 3HD2 LEU 64 HD23 LEU 64 -2.649 3.010 -6.042 528 H LYS 65 HN LYS 65 -0.479 3.354 -10.555 529 HA LYS 65 HA LYS 65 -0.920 6.136 -10.454 530 1HB LYS 65 HB2 LYS 65 0.428 4.423 -12.540 531 2HB LYS 65 HB1 LYS 65 0.390 6.180 -12.609 532 1HG LYS 65 HG2 LYS 65 1.412 6.104 -10.259 533 2HG LYS 65 HG1 LYS 65 1.762 4.413 -10.614 534 1HD LYS 65 HD2 LYS 65 2.609 6.671 -12.410 535 2HD LYS 65 HD1 LYS 65 3.612 6.072 -11.094 536 1HE LYS 65 HE2 LYS 65 3.655 3.865 -12.104 537 2HE LYS 65 HE1 LYS 65 2.583 4.416 -13.391 538 1HZ LYS 65 HZ1 LYS 65 5.263 5.591 -12.861 539 2HZ LYS 65 HZ2 LYS 65 4.255 5.889 -14.192 540 3HZ LYS 65 HZ3 LYS 65 4.978 4.370 -14.000 541 H GLN 66 HN GLN 66 -2.438 3.605 -12.303 542 HA GLN 66 HA GLN 66 -3.652 5.302 -14.229 543 1HB GLN 66 HB2 GLN 66 -3.388 2.892 -14.593 544 2HB GLN 66 HB1 GLN 66 -4.487 2.562 -13.260 545 1HG GLN 66 HG2 GLN 66 -6.342 3.425 -14.453 546 2HG GLN 66 HG1 GLN 66 -5.304 4.126 -15.693 547 1HE2 GLN 66 HE21 GLN 66 -6.394 3.053 -17.320 548 2HE2 GLN 66 HE22 GLN 66 -6.215 1.356 -17.599 549 H SER 67 HN SER 67 -4.680 4.078 -11.057 550 HA SER 67 HA SER 67 -7.243 5.380 -11.251 551 1HB SER 67 HB2 SER 67 -7.424 4.693 -8.814 552 2HB SER 67 HB1 SER 67 -7.217 3.378 -9.968 553 HG SER 67 HG SER 67 -4.885 4.453 -8.904 554 H VAL 68 HN VAL 68 -4.129 6.416 -10.502 555 HA VAL 68 HA VAL 68 -4.979 8.549 -8.739 556 HB VAL 68 HB VAL 68 -2.297 7.917 -9.973 557 1HG1 VAL 68 HG11 VAL 68 -2.993 10.170 -8.092 558 2HG1 VAL 68 HG12 VAL 68 -2.499 10.338 -9.776 559 3HG1 VAL 68 HG13 VAL 68 -1.365 9.705 -8.582 560 1HG2 VAL 68 HG21 VAL 68 -2.925 6.420 -8.196 561 2HG2 VAL 68 HG22 VAL 68 -3.351 7.776 -7.153 562 3HG2 VAL 68 HG23 VAL 68 -1.668 7.512 -7.611 563 H LEU 69 HN LEU 69 -3.897 8.188 -12.093 564 HA LEU 69 HA LEU 69 -4.002 10.903 -12.806 565 1HB LEU 69 HB2 LEU 69 -4.469 8.451 -14.508 566 2HB LEU 69 HB1 LEU 69 -4.235 10.070 -15.140 567 HG LEU 69 HG LEU 69 -2.200 8.504 -13.552 568 1HD1 LEU 69 HD11 LEU 69 -2.548 7.546 -15.754 569 2HD1 LEU 69 HD12 LEU 69 -0.985 8.358 -15.671 570 3HD1 LEU 69 HD13 LEU 69 -2.339 9.130 -16.498 571 1HD2 LEU 69 HD21 LEU 69 -1.988 10.903 -13.217 572 2HD2 LEU 69 HD22 LEU 69 -1.986 11.160 -14.963 573 3HD2 LEU 69 HD23 LEU 69 -0.658 10.287 -14.199 574 H GLU 70 HN GLU 70 -6.468 8.360 -12.946 575 HA GLU 70 HA GLU 70 -8.493 10.493 -13.030 576 1HB GLU 70 HB2 GLU 70 -8.470 9.296 -15.177 577 2HB GLU 70 HB1 GLU 70 -8.667 7.766 -14.335 578 1HG GLU 70 HG2 GLU 70 -10.764 8.506 -15.307 579 2HG GLU 70 HG1 GLU 70 -10.863 8.460 -13.547 580 H HIS 71 HN HIS 71 -8.859 10.561 -10.872 581 HA HIS 71 HA HIS 71 -9.731 8.057 -9.586 582 1HB HIS 71 HB2 HIS 71 -7.670 9.178 -8.632 583 2HB HIS 71 HB1 HIS 71 -8.700 10.531 -8.178 584 HD1 HIS 71 HD1 HIS 71 -9.707 10.384 -5.903 585 HD2 HIS 71 HD2 HIS 71 -8.578 6.657 -7.350 586 HE1 HIS 71 HE1 HIS 71 -10.102 8.778 -4.009 587 HE2 HIS 71 HE2 HIS 71 -9.241 6.561 -4.848 588 H HIS 72 HN HIS 72 -11.452 9.518 -11.201 589 HA HIS 72 HA HIS 72 -13.558 10.352 -11.256 590 1HB HIS 72 HB2 HIS 72 -13.978 8.664 -9.473 591 2HB HIS 72 HB1 HIS 72 -13.571 9.875 -8.263 592 HD1 HIS 72 HD1 HIS 72 -15.607 10.761 -7.214 593 HD2 HIS 72 HD2 HIS 72 -16.199 9.869 -11.233 594 HE1 HIS 72 HE1 HIS 72 -18.006 11.356 -7.700 595 HE2 HIS 72 HE2 HIS 72 -18.377 10.671 -10.103 596 H HIS 73 HN HIS 73 -13.192 12.399 -11.882 597 HA HIS 73 HA HIS 73 -11.876 14.276 -10.159 598 1HB HIS 73 HB2 HIS 73 -12.922 14.399 -12.965 599 2HB HIS 73 HB1 HIS 73 -12.433 15.871 -12.136 600 HD1 HIS 73 HD1 HIS 73 -11.001 12.558 -13.301 601 HD2 HIS 73 HD2 HIS 73 -9.736 16.344 -12.109 602 HE1 HIS 73 HE1 HIS 73 -8.535 12.635 -13.776 603 HE2 HIS 73 HE2 HIS 73 -7.763 14.877 -12.932 604 H HIS 74 HN HIS 74 -13.612 14.082 -8.492 605 HA HIS 74 HA HIS 74 -15.807 15.956 -8.949 606 1HB HIS 74 HB2 HIS 74 -16.380 13.971 -7.673 607 2HB HIS 74 HB1 HIS 74 -15.054 14.255 -6.557 608 HD1 HIS 74 HD1 HIS 74 -16.531 14.410 -4.477 609 HD2 HIS 74 HD2 HIS 74 -17.581 17.123 -7.452 610 HE1 HIS 74 HE1 HIS 74 -18.138 16.016 -3.400 611 HE2 HIS 74 HE2 HIS 74 -18.554 17.785 -5.144 612 H HIS 75 HN HIS 75 -15.329 18.038 -8.802 613 HA HIS 75 HA HIS 75 -12.909 18.977 -7.648 614 1HB HIS 75 HB2 HIS 75 -15.364 20.587 -8.390 615 2HB HIS 75 HB1 HIS 75 -13.742 21.221 -8.129 616 HD1 HIS 75 HD1 HIS 75 -15.795 20.871 -10.803 617 HD2 HIS 75 HD2 HIS 75 -11.998 19.337 -10.072 618 HE1 HIS 75 HE1 HIS 75 -14.818 20.361 -13.066 619 HE2 HIS 75 HE2 HIS 75 -12.628 19.214 -12.581 620 H HIS 76 HN HIS 76 -16.258 19.770 -6.742 621 HA HIS 76 HA HIS 76 -16.147 19.025 -4.084 622 1HB HIS 76 HB2 HIS 76 -14.485 21.201 -4.380 623 2HB HIS 76 HB1 HIS 76 -16.004 21.953 -3.900 624 HD1 HIS 76 HD1 HIS 76 -13.356 19.609 -2.679 625 HD2 HIS 76 HD2 HIS 76 -16.774 21.492 -1.252 626 HE1 HIS 76 HE1 HIS 76 -13.335 19.248 -0.189 627 HE2 HIS 76 HE2 HIS 76 -15.329 20.526 0.670 628 1H MET 1 HT1 MET 1 10.706 30.171 16.048 629 2H MET 1 HT2 MET 1 10.808 29.020 17.292 630 3H MET 1 HT3 MET 1 9.348 29.833 17.007 631 HA MET 1 HA MET 1 9.101 28.789 14.883 632 1HB MET 1 HB2 MET 1 11.526 28.624 14.384 633 2HB MET 1 HB1 MET 1 11.674 27.349 15.586 634 1HG MET 1 HG2 MET 1 10.197 25.924 14.280 635 2HG MET 1 HG1 MET 1 10.000 27.206 13.086 636 1HE MET 1 HE1 MET 1 10.716 25.659 11.086 637 2HE MET 1 HE2 MET 1 10.830 24.312 12.218 638 3HE MET 1 HE3 MET 1 12.156 24.641 11.103 639 HA PRO 2 HA PRO 2 7.052 25.734 17.427 640 1HB PRO 2 HB2 PRO 2 5.491 24.658 15.496 641 2HB PRO 2 HB1 PRO 2 5.149 26.235 16.219 642 1HG PRO 2 HG2 PRO 2 6.473 25.588 13.613 643 2HG PRO 2 HG1 PRO 2 5.274 26.842 13.979 644 1HD PRO 2 HD2 PRO 2 7.942 27.346 13.767 645 2HD PRO 2 HD1 PRO 2 6.856 28.287 14.806 646 H ILE 3 HN ILE 3 6.710 23.333 17.352 647 HA ILE 3 HA ILE 3 9.126 22.066 16.378 648 HB ILE 3 HB ILE 3 6.813 20.980 17.999 649 1HG1 ILE 3 HG12 ILE 3 8.729 20.695 19.700 650 2HG1 ILE 3 HG11 ILE 3 9.648 21.774 18.660 651 1HG2 ILE 3 HG21 ILE 3 7.673 19.197 16.602 652 2HG2 ILE 3 HG22 ILE 3 8.144 18.933 18.282 653 3HG2 ILE 3 HG23 ILE 3 9.319 19.554 17.122 654 1HD1 ILE 3 HD11 ILE 3 7.060 22.417 20.054 655 2HD1 ILE 3 HD12 ILE 3 7.935 23.502 18.976 656 3HD1 ILE 3 HD13 ILE 3 8.667 22.992 20.497 657 H VAL 4 HN VAL 4 9.261 21.288 14.402 658 HA VAL 4 HA VAL 4 7.094 21.101 12.628 659 HB VAL 4 HB VAL 4 8.663 19.934 11.100 660 1HG1 VAL 4 HG11 VAL 4 9.774 22.377 12.477 661 2HG1 VAL 4 HG12 VAL 4 8.588 22.364 11.172 662 3HG1 VAL 4 HG13 VAL 4 10.234 21.804 10.872 663 1HG2 VAL 4 HG21 VAL 4 11.008 19.659 11.775 664 2HG2 VAL 4 HG22 VAL 4 9.929 18.647 12.735 665 3HG2 VAL 4 HG23 VAL 4 10.586 20.133 13.421 666 H SER 5 HN SER 5 6.192 19.254 11.594 667 HA SER 5 HA SER 5 5.674 17.139 13.519 668 1HB SER 5 HB2 SER 5 4.431 17.624 10.804 669 2HB SER 5 HB1 SER 5 3.813 16.562 12.072 670 HG SER 5 HG SER 5 4.228 19.048 13.032 671 H LYS 6 HN LYS 6 8.261 17.089 12.473 672 HA LYS 6 HA LYS 6 8.333 15.157 10.329 673 1HB LYS 6 HB2 LYS 6 10.021 16.978 10.522 674 2HB LYS 6 HB1 LYS 6 10.630 16.208 11.983 675 1HG LYS 6 HG2 LYS 6 11.459 14.371 10.809 676 2HG LYS 6 HG1 LYS 6 10.476 14.723 9.385 677 1HD LYS 6 HD2 LYS 6 11.788 16.758 8.998 678 2HD LYS 6 HD1 LYS 6 12.780 16.378 10.407 679 1HE LYS 6 HE2 LYS 6 13.652 14.426 9.362 680 2HE LYS 6 HE1 LYS 6 12.483 14.535 8.045 681 1HZ LYS 6 HZ1 LYS 6 13.538 16.469 7.214 682 2HZ LYS 6 HZ2 LYS 6 14.767 15.332 7.497 683 3HZ LYS 6 HZ3 LYS 6 14.532 16.610 8.583 684 H TYR 7 HN TYR 7 7.561 13.306 10.918 685 HA TYR 7 HA TYR 7 7.653 11.970 13.322 686 1HB TYR 7 HB2 TYR 7 7.302 9.906 11.880 687 2HB TYR 7 HB1 TYR 7 6.164 11.227 11.626 688 HD1 TYR 7 HD2 TYR 7 8.955 9.340 10.167 689 HD2 TYR 7 HD1 TYR 7 6.190 12.517 9.560 690 HE1 TYR 7 HE2 TYR 7 9.522 9.369 7.774 691 HE2 TYR 7 HE1 TYR 7 6.752 12.553 7.169 692 HH TYR 7 HH TYR 7 8.686 11.886 5.720 693 H SER 8 HN SER 8 8.906 10.290 14.161 694 HA SER 8 HA SER 8 11.644 10.155 13.121 695 1HB SER 8 HB2 SER 8 11.089 10.721 15.580 696 2HB SER 8 HB1 SER 8 10.698 9.011 15.744 697 HG SER 8 HG SER 8 12.755 8.510 15.643 698 H ASN 9 HN ASN 9 12.686 7.984 13.147 699 HA ASN 9 HA ASN 9 11.253 6.239 11.497 700 1HB ASN 9 HB2 ASN 9 13.695 6.362 11.482 701 2HB ASN 9 HB1 ASN 9 13.752 5.672 13.101 702 1HD2 ASN 9 HD21 ASN 9 13.061 5.052 9.743 703 2HD2 ASN 9 HD22 ASN 9 13.150 3.323 9.846 704 H GLU 10 HN GLU 10 11.792 6.132 14.983 705 HA GLU 10 HA GLU 10 10.928 3.529 15.484 706 1HB GLU 10 HB2 GLU 10 10.336 5.870 17.291 707 2HB GLU 10 HB1 GLU 10 10.542 4.185 17.745 708 1HG GLU 10 HG2 GLU 10 12.552 5.020 18.381 709 2HG GLU 10 HG1 GLU 10 12.931 4.536 16.728 710 H ARG 11 HN ARG 11 9.088 6.471 14.948 711 HA ARG 11 HA ARG 11 6.558 5.371 15.657 712 1HB ARG 11 HB2 ARG 11 7.248 7.864 15.429 713 2HB ARG 11 HB1 ARG 11 6.907 7.642 13.717 714 1HG ARG 11 HG2 ARG 11 4.629 6.791 14.432 715 2HG ARG 11 HG1 ARG 11 5.017 7.416 16.033 716 1HD ARG 11 HD2 ARG 11 5.593 9.592 14.649 717 2HD ARG 11 HD1 ARG 11 4.466 8.871 13.501 718 HE ARG 11 HE ARG 11 3.789 10.241 15.851 719 1HH1 ARG 11 HH11 ARG 11 2.847 7.299 14.148 720 2HH1 ARG 11 HH12 ARG 11 1.274 7.248 14.885 721 1HH2 ARG 11 HH21 ARG 11 1.717 10.164 16.759 722 2HH2 ARG 11 HH22 ARG 11 0.629 8.875 16.338 723 H VAL 12 HN VAL 12 8.323 5.811 12.636 724 HA VAL 12 HA VAL 12 6.382 4.909 10.834 725 HB VAL 12 HB VAL 12 9.360 4.438 10.604 726 1HG1 VAL 12 HG11 VAL 12 7.232 4.734 8.491 727 2HG1 VAL 12 HG12 VAL 12 8.027 3.230 8.962 728 3HG1 VAL 12 HG13 VAL 12 8.959 4.519 8.198 729 1HG2 VAL 12 HG21 VAL 12 9.466 6.596 9.442 730 2HG2 VAL 12 HG22 VAL 12 8.955 6.775 11.121 731 3HG2 VAL 12 HG23 VAL 12 7.765 6.875 9.823 732 H GLU 13 HN GLU 13 8.909 3.168 12.574 733 HA GLU 13 HA GLU 13 8.450 0.600 11.595 734 1HB GLU 13 HB2 GLU 13 10.409 1.315 12.930 735 2HB GLU 13 HB1 GLU 13 9.386 1.414 14.355 736 1HG GLU 13 HG2 GLU 13 9.005 -0.963 14.301 737 2HG GLU 13 HG1 GLU 13 9.901 -1.103 12.787 738 H LYS 14 HN LYS 14 6.960 2.315 14.309 739 HA LYS 14 HA LYS 14 5.359 0.187 15.238 740 1HB LYS 14 HB2 LYS 14 5.551 1.978 16.735 741 2HB LYS 14 HB1 LYS 14 5.188 3.175 15.495 742 1HG LYS 14 HG2 LYS 14 2.869 2.360 15.419 743 2HG LYS 14 HG1 LYS 14 3.246 1.219 16.707 744 1HD LYS 14 HD2 LYS 14 3.571 2.941 18.277 745 2HD LYS 14 HD1 LYS 14 3.641 4.180 17.019 746 1HE LYS 14 HE2 LYS 14 1.493 4.137 18.285 747 2HE LYS 14 HE1 LYS 14 1.310 3.927 16.544 748 1HZ LYS 14 HZ1 LYS 14 -0.074 2.396 17.859 749 2HZ LYS 14 HZ2 LYS 14 1.327 1.705 18.518 750 3HZ LYS 14 HZ3 LYS 14 1.017 1.576 16.853 751 H ILE 15 HN ILE 15 4.647 2.842 12.983 752 HA ILE 15 HA ILE 15 1.935 2.238 12.617 753 HB ILE 15 HB ILE 15 3.820 3.593 10.680 754 1HG1 ILE 15 HG12 ILE 15 1.930 4.776 12.727 755 2HG1 ILE 15 HG11 ILE 15 3.673 4.640 12.937 756 1HG2 ILE 15 HG21 ILE 15 0.806 3.641 10.823 757 2HG2 ILE 15 HG22 ILE 15 1.771 2.823 9.592 758 3HG2 ILE 15 HG23 ILE 15 1.805 4.581 9.714 759 1HD1 ILE 15 HD11 ILE 15 4.015 6.121 11.029 760 2HD1 ILE 15 HD12 ILE 15 3.028 6.884 12.277 761 3HD1 ILE 15 HD13 ILE 15 2.269 6.251 10.818 762 H ILE 16 HN ILE 16 4.796 1.235 10.757 763 HA ILE 16 HA ILE 16 3.457 -0.281 8.814 764 HB ILE 16 HB ILE 16 6.194 -0.784 10.000 765 1HG1 ILE 16 HG12 ILE 16 5.402 0.727 7.501 766 2HG1 ILE 16 HG11 ILE 16 5.893 1.475 9.018 767 1HG2 ILE 16 HG21 ILE 16 6.668 -1.992 7.922 768 2HG2 ILE 16 HG22 ILE 16 5.001 -1.747 7.401 769 3HG2 ILE 16 HG23 ILE 16 5.344 -2.743 8.815 770 1HD1 ILE 16 HD11 ILE 16 7.710 1.447 7.401 771 2HD1 ILE 16 HD12 ILE 16 7.606 -0.312 7.308 772 3HD1 ILE 16 HD13 ILE 16 8.096 0.463 8.813 773 H GLN 17 HN GLN 17 4.619 -1.129 12.046 774 HA GLN 17 HA GLN 17 3.982 -3.863 11.983 775 1HB GLN 17 HB2 GLN 17 5.413 -2.860 13.701 776 2HB GLN 17 HB1 GLN 17 4.044 -1.956 14.328 777 1HG GLN 17 HG2 GLN 17 4.554 -3.883 15.715 778 2HG GLN 17 HG1 GLN 17 2.953 -4.021 14.991 779 1HE2 GLN 17 HE21 GLN 17 2.557 -5.603 13.483 780 2HE2 GLN 17 HE22 GLN 17 3.653 -6.912 13.189 781 H ASP 18 HN ASP 18 2.089 -1.058 13.085 782 HA ASP 18 HA ASP 18 -0.194 -2.530 13.855 783 1HB ASP 18 HB2 ASP 18 0.247 0.364 13.175 784 2HB ASP 18 HB1 ASP 18 -1.374 -0.250 13.483 785 H LEU 19 HN LEU 19 0.765 -1.112 10.771 786 HA LEU 19 HA LEU 19 -1.644 -1.631 9.396 787 1HB LEU 19 HB2 LEU 19 1.193 -1.503 8.369 788 2HB LEU 19 HB1 LEU 19 -0.229 -1.567 7.340 789 HG LEU 19 HG LEU 19 0.416 0.650 9.291 790 1HD1 LEU 19 HD11 LEU 19 0.541 0.601 6.280 791 2HD1 LEU 19 HD12 LEU 19 1.930 0.599 7.368 792 3HD1 LEU 19 HD13 LEU 19 0.851 1.994 7.315 793 1HD2 LEU 19 HD21 LEU 19 -1.785 0.410 7.241 794 2HD2 LEU 19 HD22 LEU 19 -1.452 1.821 8.245 795 3HD2 LEU 19 HD23 LEU 19 -1.989 0.315 8.992 796 H LEU 20 HN LEU 20 1.296 -3.572 9.826 797 HA LEU 20 HA LEU 20 0.403 -5.816 8.357 798 1HB LEU 20 HB2 LEU 20 2.382 -5.642 10.634 799 2HB LEU 20 HB1 LEU 20 2.148 -7.057 9.625 800 HG LEU 20 HG LEU 20 3.124 -4.367 8.661 801 1HD1 LEU 20 HD11 LEU 20 4.594 -6.964 9.083 802 2HD1 LEU 20 HD12 LEU 20 4.768 -5.499 10.050 803 3HD1 LEU 20 HD13 LEU 20 5.266 -5.503 8.358 804 1HD2 LEU 20 HD21 LEU 20 1.860 -5.570 6.954 805 2HD2 LEU 20 HD22 LEU 20 2.863 -6.997 7.209 806 3HD2 LEU 20 HD23 LEU 20 3.578 -5.522 6.562 807 H ASP 21 HN ASP 21 -0.011 -4.813 11.694 808 HA ASP 21 HA ASP 21 -1.183 -7.158 12.694 809 1HB ASP 21 HB2 ASP 21 -1.050 -4.333 13.515 810 2HB ASP 21 HB1 ASP 21 -2.463 -5.204 14.103 811 H VAL 22 HN VAL 22 -2.589 -4.404 10.976 812 HA VAL 22 HA VAL 22 -5.287 -5.183 11.185 813 HB VAL 22 HB VAL 22 -3.914 -3.639 8.983 814 1HG1 VAL 22 HG11 VAL 22 -6.139 -2.819 8.387 815 2HG1 VAL 22 HG12 VAL 22 -6.857 -3.873 9.604 816 3HG1 VAL 22 HG13 VAL 22 -6.034 -4.571 8.209 817 1HG2 VAL 22 HG21 VAL 22 -3.703 -2.559 11.138 818 2HG2 VAL 22 HG22 VAL 22 -5.436 -2.720 11.418 819 3HG2 VAL 22 HG23 VAL 22 -4.844 -1.667 10.132 820 H LEU 23 HN LEU 23 -2.771 -5.999 8.876 821 HA LEU 23 HA LEU 23 -4.397 -7.389 7.041 822 1HB LEU 23 HB2 LEU 23 -1.446 -7.717 7.595 823 2HB LEU 23 HB1 LEU 23 -2.291 -8.317 6.180 824 HG LEU 23 HG LEU 23 -1.914 -5.413 6.917 825 1HD1 LEU 23 HD11 LEU 23 -0.485 -5.337 4.938 826 2HD1 LEU 23 HD12 LEU 23 -0.706 -7.072 4.709 827 3HD1 LEU 23 HD13 LEU 23 0.137 -6.472 6.137 828 1HD2 LEU 23 HD21 LEU 23 -4.037 -5.750 5.791 829 2HD2 LEU 23 HD22 LEU 23 -3.236 -6.665 4.514 830 3HD2 LEU 23 HD23 LEU 23 -2.893 -4.946 4.717 831 H VAL 24 HN VAL 24 -2.682 -8.385 9.960 832 HA VAL 24 HA VAL 24 -3.313 -11.174 9.490 833 HB VAL 24 HB VAL 24 -1.175 -10.436 10.586 834 1HG1 VAL 24 HG11 VAL 24 -1.208 -9.979 12.995 835 2HG1 VAL 24 HG12 VAL 24 -2.971 -9.910 12.943 836 3HG1 VAL 24 HG13 VAL 24 -2.013 -8.723 12.057 837 1HG2 VAL 24 HG21 VAL 24 -1.942 -12.740 10.688 838 2HG2 VAL 24 HG22 VAL 24 -2.877 -12.377 12.139 839 3HG2 VAL 24 HG23 VAL 24 -1.117 -12.284 12.177 840 H LYS 25 HN LYS 25 -4.739 -8.475 11.097 841 HA LYS 25 HA LYS 25 -6.497 -9.805 12.849 842 1HB LYS 25 HB2 LYS 25 -6.655 -7.192 11.365 843 2HB LYS 25 HB1 LYS 25 -8.034 -7.774 12.286 844 1HG LYS 25 HG2 LYS 25 -6.792 -7.716 14.319 845 2HG LYS 25 HG1 LYS 25 -5.290 -7.392 13.457 846 1HD LYS 25 HD2 LYS 25 -6.062 -5.347 14.448 847 2HD LYS 25 HD1 LYS 25 -6.254 -5.228 12.704 848 1HE LYS 25 HE2 LYS 25 -8.566 -6.183 14.316 849 2HE LYS 25 HE1 LYS 25 -8.154 -4.472 14.380 850 1HZ LYS 25 HZ1 LYS 25 -8.903 -6.053 11.976 851 2HZ LYS 25 HZ2 LYS 25 -8.279 -4.473 11.901 852 3HZ LYS 25 HZ3 LYS 25 -9.754 -4.765 12.681 853 H GLU 26 HN GLU 26 -6.588 -9.205 9.395 854 HA GLU 26 HA GLU 26 -9.179 -10.588 9.215 855 1HB GLU 26 HB2 GLU 26 -7.669 -8.827 7.294 856 2HB GLU 26 HB1 GLU 26 -9.068 -9.773 6.803 857 1HG GLU 26 HG2 GLU 26 -9.081 -7.722 8.999 858 2HG GLU 26 HG1 GLU 26 -9.588 -7.424 7.339 859 H GLU 27 HN GLU 27 -5.877 -11.171 8.842 860 HA GLU 27 HA GLU 27 -4.593 -12.703 7.759 861 1HB GLU 27 HB2 GLU 27 -7.169 -14.260 8.008 862 2HB GLU 27 HB1 GLU 27 -5.683 -14.963 7.383 863 1HG GLU 27 HG2 GLU 27 -4.568 -14.404 9.520 864 2HG GLU 27 HG1 GLU 27 -6.116 -13.832 10.138 865 H VAL 28 HN VAL 28 -5.303 -10.792 6.136 866 HA VAL 28 HA VAL 28 -6.913 -11.385 3.926 867 HB VAL 28 HB VAL 28 -5.835 -9.485 2.814 868 1HG1 VAL 28 HG11 VAL 28 -7.586 -9.058 4.454 869 2HG1 VAL 28 HG12 VAL 28 -6.382 -7.769 4.469 870 3HG1 VAL 28 HG13 VAL 28 -6.381 -8.992 5.740 871 1HG2 VAL 28 HG21 VAL 28 -3.942 -9.515 5.165 872 2HG2 VAL 28 HG22 VAL 28 -4.034 -8.250 3.939 873 3HG2 VAL 28 HG23 VAL 28 -3.534 -9.879 3.488 874 H THR 29 HN THR 29 -6.467 -12.036 1.843 875 HA THR 29 HA THR 29 -4.154 -13.705 1.428 876 HB THR 29 HB THR 29 -5.140 -14.001 -0.866 877 HG1 THR 29 HG1 THR 29 -7.294 -13.110 -1.140 878 1HG2 THR 29 HG21 THR 29 -5.756 -15.530 0.946 879 2HG2 THR 29 HG22 THR 29 -7.117 -15.255 -0.139 880 3HG2 THR 29 HG23 THR 29 -7.060 -14.444 1.426 881 HA PRO 30 HA PRO 30 -1.413 -10.901 -0.760 882 1HB PRO 30 HB2 PRO 30 -1.865 -12.570 -3.191 883 2HB PRO 30 HB1 PRO 30 -0.349 -12.024 -2.466 884 1HG PRO 30 HG2 PRO 30 -1.166 -14.540 -2.160 885 2HG PRO 30 HG1 PRO 30 -0.378 -13.667 -0.831 886 1HD PRO 30 HD2 PRO 30 -3.249 -14.358 -1.205 887 2HD PRO 30 HD1 PRO 30 -2.303 -14.223 0.289 888 H ASP 31 HN ASP 31 -4.123 -12.064 -2.732 889 HA ASP 31 HA ASP 31 -4.407 -9.812 -4.380 890 1HB ASP 31 HB2 ASP 31 -5.482 -11.817 -5.053 891 2HB ASP 31 HB1 ASP 31 -6.317 -11.978 -3.510 892 H LEU 32 HN LEU 32 -6.248 -10.758 -1.491 893 HA LEU 32 HA LEU 32 -7.916 -8.527 -1.390 894 1HB LEU 32 HB2 LEU 32 -8.269 -10.636 -0.153 895 2HB LEU 32 HB1 LEU 32 -6.938 -10.222 0.906 896 HG LEU 32 HG LEU 32 -8.184 -8.278 1.732 897 1HD1 LEU 32 HD11 LEU 32 -9.500 -7.775 -0.247 898 2HD1 LEU 32 HD12 LEU 32 -10.552 -8.011 1.150 899 3HD1 LEU 32 HD13 LEU 32 -10.392 -9.284 -0.057 900 1HD2 LEU 32 HD21 LEU 32 -9.737 -10.859 1.854 901 2HD2 LEU 32 HD22 LEU 32 -9.883 -9.509 2.978 902 3HD2 LEU 32 HD23 LEU 32 -8.375 -10.419 2.884 903 H ALA 33 HN ALA 33 -4.681 -9.039 -0.074 904 HA ALA 33 HA ALA 33 -4.584 -6.740 1.557 905 1HB ALA 33 HB1 ALA 33 -2.173 -7.036 1.528 906 2HB ALA 33 HB2 ALA 33 -2.311 -8.149 0.168 907 3HB ALA 33 HB3 ALA 33 -2.984 -8.588 1.738 908 H LEU 34 HN LEU 34 -3.444 -7.296 -1.771 909 HA LEU 34 HA LEU 34 -2.412 -4.712 -2.161 910 1HB LEU 34 HB2 LEU 34 -3.460 -6.667 -4.209 911 2HB LEU 34 HB1 LEU 34 -2.490 -5.252 -4.566 912 HG LEU 34 HG LEU 34 -1.598 -7.658 -2.976 913 1HD1 LEU 34 HD11 LEU 34 -1.786 -8.093 -5.365 914 2HD1 LEU 34 HD12 LEU 34 -0.097 -8.044 -4.863 915 3HD1 LEU 34 HD13 LEU 34 -0.803 -6.670 -5.711 916 1HD2 LEU 34 HD21 LEU 34 -0.570 -5.634 -2.119 917 2HD2 LEU 34 HD22 LEU 34 -0.105 -5.154 -3.751 918 3HD2 LEU 34 HD23 LEU 34 0.613 -6.588 -3.013 919 H MET 35 HN MET 35 -5.589 -6.097 -2.870 920 HA MET 35 HA MET 35 -6.642 -3.869 -4.240 921 1HB MET 35 HB2 MET 35 -7.651 -6.061 -4.408 922 2HB MET 35 HB1 MET 35 -8.015 -6.065 -2.690 923 1HG MET 35 HG2 MET 35 -9.668 -4.392 -2.943 924 2HG MET 35 HG1 MET 35 -9.156 -4.041 -4.593 925 1HE MET 35 HE1 MET 35 -9.331 -7.668 -3.195 926 2HE MET 35 HE2 MET 35 -11.002 -8.132 -3.514 927 3HE MET 35 HE3 MET 35 -10.644 -6.923 -2.282 928 H CYS 36 HN CYS 36 -6.414 -4.601 -0.815 929 HA CYS 36 HA CYS 36 -8.109 -2.365 -0.098 930 1HB CYS 36 HB2 CYS 36 -6.404 -4.150 1.653 931 2HB CYS 36 HB1 CYS 36 -7.592 -2.980 2.219 932 HG CYS 36 HG CYS 36 -8.107 -5.980 0.723 933 H LEU 37 HN LEU 37 -4.668 -3.204 0.180 934 HA LEU 37 HA LEU 37 -3.849 -0.856 1.473 935 1HB LEU 37 HB2 LEU 37 -2.328 -2.744 -0.317 936 2HB LEU 37 HB1 LEU 37 -1.573 -1.440 0.577 937 HG LEU 37 HG LEU 37 -3.080 -3.736 1.838 938 1HD1 LEU 37 HD11 LEU 37 -0.867 -4.518 2.550 939 2HD1 LEU 37 HD12 LEU 37 -0.115 -3.246 1.587 940 3HD1 LEU 37 HD13 LEU 37 -1.036 -4.525 0.794 941 1HD2 LEU 37 HD21 LEU 37 -1.378 -1.561 3.050 942 2HD2 LEU 37 HD22 LEU 37 -2.109 -2.909 3.920 943 3HD2 LEU 37 HD23 LEU 37 -3.134 -1.690 3.166 944 H GLY 38 HN GLY 38 -3.677 -1.686 -1.998 945 1HA GLY 38 HA2 GLY 38 -2.541 0.753 -2.824 946 2HA GLY 38 HA1 GLY 38 -3.428 -0.359 -3.856 947 H ASN 39 HN ASN 39 -5.864 -0.202 -2.326 948 HA ASN 39 HA ASN 39 -7.107 1.992 -3.596 949 1HB ASN 39 HB2 ASN 39 -8.125 -0.210 -2.803 950 2HB ASN 39 HB1 ASN 39 -8.160 0.504 -1.199 951 1HD2 ASN 39 HD21 ASN 39 -10.269 -0.416 -3.029 952 2HD2 ASN 39 HD22 ASN 39 -11.358 0.926 -3.180 953 H ALA 40 HN ALA 40 -6.095 1.396 -0.255 954 HA ALA 40 HA ALA 40 -6.919 3.896 0.791 955 1HB ALA 40 HB1 ALA 40 -4.767 2.036 1.806 956 2HB ALA 40 HB2 ALA 40 -6.482 1.933 2.201 957 3HB ALA 40 HB3 ALA 40 -5.543 3.332 2.720 958 H VAL 41 HN VAL 41 -3.880 2.731 -0.590 959 HA VAL 41 HA VAL 41 -2.293 4.987 -0.105 960 HB VAL 41 HB VAL 41 -2.180 3.122 -2.489 961 1HG1 VAL 41 HG11 VAL 41 -0.099 5.020 -1.410 962 2HG1 VAL 41 HG12 VAL 41 -0.990 5.202 -2.921 963 3HG1 VAL 41 HG13 VAL 41 0.143 3.863 -2.721 964 1HG2 VAL 41 HG21 VAL 41 -0.614 3.051 0.087 965 2HG2 VAL 41 HG22 VAL 41 -0.441 1.944 -1.275 966 3HG2 VAL 41 HG23 VAL 41 -1.937 1.965 -0.337 967 H THR 42 HN THR 42 -4.384 4.167 -2.849 968 HA THR 42 HA THR 42 -3.794 6.463 -4.381 969 HB THR 42 HB THR 42 -6.317 4.794 -4.442 970 HG1 THR 42 HG1 THR 42 -4.623 3.398 -4.776 971 1HG2 THR 42 HG21 THR 42 -6.507 6.870 -5.715 972 2HG2 THR 42 HG22 THR 42 -6.406 5.482 -6.802 973 3HG2 THR 42 HG23 THR 42 -4.995 6.508 -6.548 974 H ASN 43 HN ASN 43 -6.128 5.815 -1.847 975 HA ASN 43 HA ASN 43 -7.706 8.134 -2.146 976 1HB ASN 43 HB2 ASN 43 -8.454 6.229 -0.804 977 2HB ASN 43 HB1 ASN 43 -7.128 6.481 0.328 978 1HD2 ASN 43 HD21 ASN 43 -7.299 8.057 1.873 979 2HD2 ASN 43 HD22 ASN 43 -8.744 8.968 2.156 980 H ILE 44 HN ILE 44 -4.692 7.491 -0.470 981 HA ILE 44 HA ILE 44 -4.597 10.036 0.851 982 HB ILE 44 HB ILE 44 -2.396 8.022 0.358 983 1HG1 ILE 44 HG12 ILE 44 -4.216 7.112 1.719 984 2HG1 ILE 44 HG11 ILE 44 -2.775 7.361 2.699 985 1HG2 ILE 44 HG21 ILE 44 -2.472 10.396 2.214 986 2HG2 ILE 44 HG22 ILE 44 -1.467 10.219 0.777 987 3HG2 ILE 44 HG23 ILE 44 -1.202 9.175 2.173 988 1HD1 ILE 44 HD11 ILE 44 -4.777 8.027 3.894 989 2HD1 ILE 44 HD12 ILE 44 -5.182 9.165 2.609 990 3HD1 ILE 44 HD13 ILE 44 -3.739 9.419 3.590 991 H ILE 45 HN ILE 45 -3.020 8.620 -2.006 992 HA ILE 45 HA ILE 45 -1.408 10.827 -2.656 993 HB ILE 45 HB ILE 45 -2.572 8.750 -4.522 994 1HG1 ILE 45 HG12 ILE 45 0.104 8.847 -3.109 995 2HG1 ILE 45 HG11 ILE 45 -1.245 7.809 -2.659 996 1HG2 ILE 45 HG21 ILE 45 -0.691 9.310 -5.998 997 2HG2 ILE 45 HG22 ILE 45 -0.223 10.606 -4.898 998 3HG2 ILE 45 HG23 ILE 45 -1.763 10.689 -5.752 999 1HD1 ILE 45 HD11 ILE 45 0.427 6.585 -3.918 1000 2HD1 ILE 45 HD12 ILE 45 0.264 7.718 -5.261 1001 3HD1 ILE 45 HD13 ILE 45 -1.089 6.678 -4.815 1002 H ALA 46 HN ALA 46 -4.780 10.180 -3.282 1003 HA ALA 46 HA ALA 46 -5.166 12.129 -5.301 1004 1HB ALA 46 HB1 ALA 46 -6.759 10.315 -4.934 1005 2HB ALA 46 HB2 ALA 46 -7.553 11.887 -4.816 1006 3HB ALA 46 HB3 ALA 46 -7.166 10.983 -3.352 1007 H GLN 47 HN GLN 47 -4.767 12.344 -1.900 1008 HA GLN 47 HA GLN 47 -6.015 14.967 -1.701 1009 1HB GLN 47 HB2 GLN 47 -4.512 13.375 0.385 1010 2HB GLN 47 HB1 GLN 47 -5.485 14.812 0.676 1011 1HG GLN 47 HG2 GLN 47 -7.484 13.639 0.025 1012 2HG GLN 47 HG1 GLN 47 -6.545 12.214 -0.410 1013 1HE2 GLN 47 HE21 GLN 47 -7.591 10.881 1.004 1014 2HE2 GLN 47 HE22 GLN 47 -7.423 10.997 2.723 1015 H VAL 48 HN VAL 48 -3.078 13.693 -2.595 1016 HA VAL 48 HA VAL 48 -1.408 15.867 -1.663 1017 HB VAL 48 HB VAL 48 -0.791 13.694 -3.684 1018 1HG1 VAL 48 HG11 VAL 48 0.718 15.591 -3.864 1019 2HG1 VAL 48 HG12 VAL 48 1.555 14.193 -3.189 1020 3HG1 VAL 48 HG13 VAL 48 1.046 15.513 -2.135 1021 1HG2 VAL 48 HG21 VAL 48 -0.247 13.777 -0.720 1022 2HG2 VAL 48 HG22 VAL 48 0.367 12.557 -1.836 1023 3HG2 VAL 48 HG23 VAL 48 -1.369 12.700 -1.556 1024 HA PRO 49 HA PRO 49 -2.398 18.864 -4.820 1025 1HB PRO 49 HB2 PRO 49 0.589 19.118 -4.768 1026 2HB PRO 49 HB1 PRO 49 -0.645 20.386 -4.788 1027 1HG PRO 49 HG2 PRO 49 0.578 19.716 -2.516 1028 2HG PRO 49 HG1 PRO 49 -1.149 20.118 -2.543 1029 1HD PRO 49 HD2 PRO 49 0.172 17.485 -2.201 1030 2HD PRO 49 HD1 PRO 49 -1.416 18.038 -1.634 1031 H GLU 50 HN GLU 50 -2.693 18.653 -6.917 1032 HA GLU 50 HA GLU 50 -2.239 16.292 -8.225 1033 1HB GLU 50 HB2 GLU 50 -3.916 18.084 -8.756 1034 2HB GLU 50 HB1 GLU 50 -2.636 18.949 -9.592 1035 1HG GLU 50 HG2 GLU 50 -2.407 17.180 -11.192 1036 2HG GLU 50 HG1 GLU 50 -3.539 16.168 -10.294 1037 H SER 51 HN SER 51 -0.252 19.224 -8.446 1038 HA SER 51 HA SER 51 1.333 18.473 -10.614 1039 1HB SER 51 HB2 SER 51 2.087 20.154 -8.214 1040 2HB SER 51 HB1 SER 51 2.992 20.076 -9.726 1041 HG SER 51 HG SER 51 0.847 20.683 -10.697 1042 H LYS 52 HN LYS 52 2.022 18.001 -7.128 1043 HA LYS 52 HA LYS 52 4.260 16.285 -7.824 1044 1HB LYS 52 HB2 LYS 52 4.595 16.108 -5.361 1045 2HB LYS 52 HB1 LYS 52 4.637 17.755 -5.970 1046 1HG LYS 52 HG2 LYS 52 2.427 18.181 -5.145 1047 2HG LYS 52 HG1 LYS 52 2.233 16.491 -4.675 1048 1HD LYS 52 HD2 LYS 52 2.767 17.978 -2.767 1049 2HD LYS 52 HD1 LYS 52 3.967 16.708 -3.011 1050 1HE LYS 52 HE2 LYS 52 5.092 18.788 -2.545 1051 2HE LYS 52 HE1 LYS 52 5.385 18.328 -4.221 1052 1HZ LYS 52 HZ1 LYS 52 3.504 20.401 -3.234 1053 2HZ LYS 52 HZ2 LYS 52 3.559 19.875 -4.843 1054 3HZ LYS 52 HZ3 LYS 52 4.906 20.641 -4.157 1055 H ARG 53 HN ARG 53 0.975 15.918 -7.378 1056 HA ARG 53 HA ARG 53 0.727 13.483 -6.041 1057 1HB ARG 53 HB2 ARG 53 -1.163 14.945 -6.627 1058 2HB ARG 53 HB1 ARG 53 -0.924 14.569 -8.326 1059 1HG ARG 53 HG2 ARG 53 -1.441 12.205 -7.840 1060 2HG ARG 53 HG1 ARG 53 -1.777 12.657 -6.166 1061 1HD ARG 53 HD2 ARG 53 -3.203 13.696 -8.613 1062 2HD ARG 53 HD1 ARG 53 -3.838 12.516 -7.469 1063 HE ARG 53 HE ARG 53 -3.364 14.571 -5.848 1064 1HH1 ARG 53 HH11 ARG 53 -4.832 14.533 -9.029 1065 2HH1 ARG 53 HH12 ARG 53 -5.854 15.894 -8.716 1066 1HH2 ARG 53 HH21 ARG 53 -4.714 16.368 -5.428 1067 2HH2 ARG 53 HH22 ARG 53 -5.787 16.936 -6.662 1068 H VAL 54 HN VAL 54 1.210 14.169 -9.481 1069 HA VAL 54 HA VAL 54 1.198 11.468 -10.335 1070 HB VAL 54 HB VAL 54 2.600 13.784 -11.681 1071 1HG1 VAL 54 HG11 VAL 54 3.176 11.630 -12.622 1072 2HG1 VAL 54 HG12 VAL 54 2.145 12.523 -13.740 1073 3HG1 VAL 54 HG13 VAL 54 1.470 11.212 -12.771 1074 1HG2 VAL 54 HG21 VAL 54 0.515 14.148 -12.919 1075 2HG2 VAL 54 HG22 VAL 54 0.301 14.410 -11.188 1076 3HG2 VAL 54 HG23 VAL 54 -0.280 12.920 -11.932 1077 H ALA 55 HN ALA 55 3.659 13.625 -9.121 1078 HA ALA 55 HA ALA 55 5.899 12.023 -9.848 1079 1HB ALA 55 HB1 ALA 55 7.182 13.520 -8.418 1080 2HB ALA 55 HB2 ALA 55 5.689 14.191 -7.763 1081 3HB ALA 55 HB3 ALA 55 6.091 14.430 -9.463 1082 H VAL 56 HN VAL 56 4.119 12.497 -6.788 1083 HA VAL 56 HA VAL 56 5.819 10.814 -5.284 1084 HB VAL 56 HB VAL 56 4.084 10.807 -3.542 1085 1HG1 VAL 56 HG11 VAL 56 4.017 13.234 -3.145 1086 2HG1 VAL 56 HG12 VAL 56 4.582 13.501 -4.794 1087 3HG1 VAL 56 HG13 VAL 56 5.617 12.671 -3.632 1088 1HG2 VAL 56 HG21 VAL 56 2.408 12.286 -5.568 1089 2HG2 VAL 56 HG22 VAL 56 2.012 12.096 -3.861 1090 3HG2 VAL 56 HG23 VAL 56 2.087 10.681 -4.910 1091 H VAL 57 HN VAL 57 2.897 10.131 -7.156 1092 HA VAL 57 HA VAL 57 2.656 7.473 -6.139 1093 HB VAL 57 HB VAL 57 0.723 8.652 -7.135 1094 1HG1 VAL 57 HG11 VAL 57 1.798 9.767 -8.995 1095 2HG1 VAL 57 HG12 VAL 57 0.476 8.750 -9.571 1096 3HG1 VAL 57 HG13 VAL 57 2.146 8.213 -9.753 1097 1HG2 VAL 57 HG21 VAL 57 -0.158 6.723 -8.384 1098 2HG2 VAL 57 HG22 VAL 57 0.666 6.245 -6.901 1099 3HG2 VAL 57 HG23 VAL 57 1.470 6.050 -8.458 1100 H ASP 58 HN ASP 58 4.294 8.932 -8.919 1101 HA ASP 58 HA ASP 58 5.083 6.480 -10.110 1102 1HB ASP 58 HB2 ASP 58 5.192 8.714 -11.246 1103 2HB ASP 58 HB1 ASP 58 6.575 9.104 -10.228 1104 H ASN 59 HN ASN 59 6.644 8.661 -7.787 1105 HA ASN 59 HA ASN 59 8.996 7.163 -7.418 1106 1HB ASN 59 HB2 ASN 59 7.545 8.999 -5.501 1107 2HB ASN 59 HB1 ASN 59 9.141 8.323 -5.194 1108 1HD2 ASN 59 HD21 ASN 59 8.421 11.082 -5.373 1109 2HD2 ASN 59 HD22 ASN 59 9.326 11.757 -6.678 1110 H PHE 60 HN PHE 60 5.823 6.965 -5.934 1111 HA PHE 60 HA PHE 60 6.388 5.071 -3.948 1112 1HB PHE 60 HB2 PHE 60 4.238 6.396 -4.248 1113 2HB PHE 60 HB1 PHE 60 3.809 5.251 -5.516 1114 HD1 PHE 60 HD2 PHE 60 4.588 5.528 -1.907 1115 HD2 PHE 60 HD1 PHE 60 2.828 3.189 -4.997 1116 HE1 PHE 60 HE2 PHE 60 3.617 4.028 -0.217 1117 HE2 PHE 60 HE1 PHE 60 1.851 1.687 -3.308 1118 HZ PHE 60 HZ PHE 60 2.247 2.105 -0.915 1119 H THR 61 HN THR 61 5.110 4.615 -7.238 1120 HA THR 61 HA THR 61 5.177 1.801 -7.164 1121 HB THR 61 HB THR 61 5.001 1.943 -9.660 1122 HG1 THR 61 HG1 THR 61 5.973 4.402 -9.252 1123 1HG2 THR 61 HG21 THR 61 3.146 3.709 -8.064 1124 2HG2 THR 61 HG22 THR 61 3.006 1.962 -8.270 1125 3HG2 THR 61 HG23 THR 61 2.794 3.035 -9.654 1126 H LYS 62 HN LYS 62 7.539 4.208 -8.161 1127 HA LYS 62 HA LYS 62 9.497 2.528 -9.247 1128 1HB LYS 62 HB2 LYS 62 9.522 5.004 -9.335 1129 2HB LYS 62 HB1 LYS 62 9.864 5.049 -7.612 1130 1HG LYS 62 HG2 LYS 62 11.945 3.686 -8.161 1131 2HG LYS 62 HG1 LYS 62 11.633 4.119 -9.844 1132 1HD LYS 62 HD2 LYS 62 12.088 6.014 -7.545 1133 2HD LYS 62 HD1 LYS 62 13.207 5.676 -8.864 1134 1HE LYS 62 HE2 LYS 62 11.647 6.641 -10.461 1135 2HE LYS 62 HE1 LYS 62 10.472 6.915 -9.175 1136 1HZ LYS 62 HZ1 LYS 62 13.148 8.181 -9.402 1137 2HZ LYS 62 HZ2 LYS 62 12.080 8.398 -8.107 1138 3HZ LYS 62 HZ3 LYS 62 11.651 8.940 -9.656 1139 H ALA 63 HN ALA 63 9.217 3.783 -5.924 1140 HA ALA 63 HA ALA 63 11.358 2.339 -4.842 1141 1HB ALA 63 HB1 ALA 63 10.444 2.923 -2.673 1142 2HB ALA 63 HB2 ALA 63 8.896 3.333 -3.410 1143 3HB ALA 63 HB3 ALA 63 10.327 4.300 -3.769 1144 H LEU 64 HN LEU 64 7.943 1.547 -5.181 1145 HA LEU 64 HA LEU 64 7.778 -0.746 -3.649 1146 1HB LEU 64 HB2 LEU 64 6.400 0.204 -6.110 1147 2HB LEU 64 HB1 LEU 64 6.176 -1.470 -5.646 1148 HG LEU 64 HG LEU 64 5.557 0.885 -3.856 1149 1HD1 LEU 64 HD11 LEU 64 4.090 0.837 -5.805 1150 2HD1 LEU 64 HD12 LEU 64 3.222 0.378 -4.341 1151 3HD1 LEU 64 HD13 LEU 64 3.724 -0.860 -5.493 1152 1HD2 LEU 64 HD21 LEU 64 4.956 -2.060 -3.616 1153 2HD2 LEU 64 HD22 LEU 64 4.380 -0.801 -2.521 1154 3HD2 LEU 64 HD23 LEU 64 6.107 -1.149 -2.639 1155 H LYS 65 HN LYS 65 8.440 -0.692 -7.178 1156 HA LYS 65 HA LYS 65 8.954 -3.474 -7.212 1157 1HB LYS 65 HB2 LYS 65 9.633 -1.357 -9.250 1158 2HB LYS 65 HB1 LYS 65 9.830 -3.086 -9.515 1159 1HG LYS 65 HG2 LYS 65 7.303 -3.146 -8.790 1160 2HG LYS 65 HG1 LYS 65 7.346 -1.464 -9.319 1161 1HD LYS 65 HD2 LYS 65 8.255 -3.790 -11.003 1162 2HD LYS 65 HD1 LYS 65 6.640 -3.086 -11.081 1163 1HE LYS 65 HE2 LYS 65 7.580 -0.952 -11.756 1164 2HE LYS 65 HE1 LYS 65 9.214 -1.602 -11.604 1165 1HZ LYS 65 HZ1 LYS 65 8.302 -1.549 -13.916 1166 2HZ LYS 65 HZ2 LYS 65 7.182 -2.737 -13.442 1167 3HZ LYS 65 HZ3 LYS 65 8.844 -3.072 -13.400 1168 H GLN 66 HN GLN 66 11.036 -0.704 -6.735 1169 HA GLN 66 HA GLN 66 13.507 -2.023 -7.021 1170 1HB GLN 66 HB2 GLN 66 12.642 0.382 -5.446 1171 2HB GLN 66 HB1 GLN 66 14.277 -0.244 -5.304 1172 1HG GLN 66 HG2 GLN 66 14.571 0.046 -7.727 1173 2HG GLN 66 HG1 GLN 66 12.952 0.740 -7.820 1174 1HE2 GLN 66 HE21 GLN 66 13.791 2.692 -8.606 1175 2HE2 GLN 66 HE22 GLN 66 14.599 3.812 -7.559 1176 H SER 67 HN SER 67 11.449 -1.534 -4.170 1177 HA SER 67 HA SER 67 13.282 -2.900 -2.450 1178 1HB SER 67 HB2 SER 67 11.374 -2.698 -0.782 1179 2HB SER 67 HB1 SER 67 12.007 -1.186 -1.428 1180 HG SER 67 HG SER 67 10.235 -1.028 -2.766 1181 H VAL 68 HN VAL 68 10.484 -3.842 -4.327 1182 HA VAL 68 HA VAL 68 10.015 -6.329 -3.064 1183 HB VAL 68 HB VAL 68 9.461 -5.431 -5.898 1184 1HG1 VAL 68 HG11 VAL 68 9.698 -7.869 -5.853 1185 2HG1 VAL 68 HG12 VAL 68 8.019 -7.393 -6.115 1186 3HG1 VAL 68 HG13 VAL 68 8.540 -7.957 -4.527 1187 1HG2 VAL 68 HG21 VAL 68 7.151 -5.296 -5.126 1188 2HG2 VAL 68 HG22 VAL 68 8.203 -4.279 -4.139 1189 3HG2 VAL 68 HG23 VAL 68 7.646 -5.834 -3.522 1190 H LEU 69 HN LEU 69 12.209 -5.346 -5.646 1191 HA LEU 69 HA LEU 69 13.078 -7.976 -6.302 1192 1HB LEU 69 HB2 LEU 69 14.366 -5.288 -6.761 1193 2HB LEU 69 HB1 LEU 69 14.981 -6.792 -7.417 1194 HG LEU 69 HG LEU 69 12.296 -5.559 -8.051 1195 1HD1 LEU 69 HD11 LEU 69 13.252 -5.224 -10.282 1196 2HD1 LEU 69 HD12 LEU 69 14.808 -5.819 -9.699 1197 3HD1 LEU 69 HD13 LEU 69 14.133 -4.327 -9.046 1198 1HD2 LEU 69 HD21 LEU 69 13.625 -8.047 -9.124 1199 2HD2 LEU 69 HD22 LEU 69 12.136 -7.333 -9.741 1200 3HD2 LEU 69 HD23 LEU 69 12.188 -7.986 -8.103 1201 H GLU 70 HN GLU 70 13.969 -5.704 -3.846 1202 HA GLU 70 HA GLU 70 16.343 -7.236 -3.137 1203 1HB GLU 70 HB2 GLU 70 15.227 -4.619 -2.158 1204 2HB GLU 70 HB1 GLU 70 16.544 -5.436 -1.330 1205 1HG GLU 70 HG2 GLU 70 16.583 -4.521 -4.197 1206 2HG GLU 70 HG1 GLU 70 17.341 -3.689 -2.838 1207 H HIS 71 HN HIS 71 13.660 -5.861 -1.330 1208 HA HIS 71 HA HIS 71 12.743 -6.372 0.675 1209 1HB HIS 71 HB2 HIS 71 11.705 -8.107 -0.806 1210 2HB HIS 71 HB1 HIS 71 12.958 -9.232 -0.291 1211 HD1 HIS 71 HD1 HIS 71 12.232 -10.717 1.551 1212 HD2 HIS 71 HD2 HIS 71 10.252 -7.057 1.640 1213 HE1 HIS 71 HE1 HIS 71 10.615 -10.865 3.473 1214 HE2 HIS 71 HE2 HIS 71 9.333 -8.693 3.428 1215 H HIS 72 HN HIS 72 14.682 -5.651 1.726 1216 HA HIS 72 HA HIS 72 16.644 -7.675 2.442 1217 1HB HIS 72 HB2 HIS 72 17.153 -5.244 1.728 1218 2HB HIS 72 HB1 HIS 72 16.674 -4.813 3.367 1219 HD1 HIS 72 HD1 HIS 72 19.301 -6.749 1.480 1220 HD2 HIS 72 HD2 HIS 72 18.575 -5.313 5.319 1221 HE1 HIS 72 HE1 HIS 72 21.449 -7.071 2.744 1222 HE2 HIS 72 HE2 HIS 72 21.050 -5.993 4.985 1223 H HIS 73 HN HIS 73 14.485 -8.544 3.549 1224 HA HIS 73 HA HIS 73 14.359 -7.597 6.318 1225 1HB HIS 73 HB2 HIS 73 12.227 -8.052 5.095 1226 2HB HIS 73 HB1 HIS 73 12.702 -9.739 4.951 1227 HD1 HIS 73 HD1 HIS 73 11.326 -7.254 7.368 1228 HD2 HIS 73 HD2 HIS 73 12.474 -11.248 7.323 1229 HE1 HIS 73 HE1 HIS 73 10.420 -8.241 9.494 1230 HE2 HIS 73 HE2 HIS 73 11.000 -10.690 9.376 1231 H HIS 74 HN HIS 74 16.546 -8.303 6.708 1232 HA HIS 74 HA HIS 74 16.707 -11.030 7.619 1233 1HB HIS 74 HB2 HIS 74 17.232 -11.031 5.102 1234 2HB HIS 74 HB1 HIS 74 18.699 -10.157 5.523 1235 HD1 HIS 74 HD1 HIS 74 20.488 -11.502 6.953 1236 HD2 HIS 74 HD2 HIS 74 17.300 -13.755 5.515 1237 HE1 HIS 74 HE1 HIS 74 21.220 -13.900 7.128 1238 HE2 HIS 74 HE2 HIS 74 19.346 -15.233 6.096 1239 H HIS 75 HN HIS 75 16.831 -8.755 9.139 1240 HA HIS 75 HA HIS 75 19.649 -8.172 9.531 1241 1HB HIS 75 HB2 HIS 75 18.859 -6.768 11.487 1242 2HB HIS 75 HB1 HIS 75 18.346 -6.247 9.893 1243 HD1 HIS 75 HD1 HIS 75 16.861 -8.354 12.721 1244 HD2 HIS 75 HD2 HIS 75 15.768 -5.551 9.853 1245 HE1 HIS 75 HE1 HIS 75 14.447 -7.831 13.173 1246 HE2 HIS 75 HE2 HIS 75 13.915 -5.917 11.616 1247 H HIS 76 HN HIS 76 19.776 -10.565 9.738 1248 HA HIS 76 HA HIS 76 20.442 -11.188 12.432 1249 1HB HIS 76 HB2 HIS 76 18.057 -11.729 12.583 1250 2HB HIS 76 HB1 HIS 76 18.164 -12.723 11.136 1251 HD1 HIS 76 HD1 HIS 76 18.308 -15.147 11.621 1252 HD2 HIS 76 HD2 HIS 76 19.915 -12.849 14.698 1253 HE1 HIS 76 HE1 HIS 76 18.998 -16.782 13.403 1254 HE2 HIS 76 HE2 HIS 76 19.931 -15.373 15.278 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -15.973 -23.175 -11.096 2 2H MET 1 HT2 MET 1 -14.817 -23.718 -9.981 3 3H MET 1 HT3 MET 1 -14.405 -23.560 -11.614 4 HA MET 1 HA MET 1 -13.471 -21.753 -10.396 5 1HB MET 1 HB2 MET 1 -15.860 -20.957 -12.079 6 2HB MET 1 HB1 MET 1 -14.601 -19.844 -11.567 7 1HG MET 1 HG2 MET 1 -14.132 -20.465 -13.798 8 2HG MET 1 HG1 MET 1 -12.950 -21.273 -12.772 9 1HE MET 1 HE1 MET 1 -13.397 -22.135 -15.788 10 2HE MET 1 HE2 MET 1 -13.399 -23.891 -15.618 11 3HE MET 1 HE3 MET 1 -12.262 -22.914 -14.687 12 HA PRO 2 HA PRO 2 -15.772 -20.623 -6.785 13 1HB PRO 2 HB2 PRO 2 -14.018 -18.875 -5.736 14 2HB PRO 2 HB1 PRO 2 -13.705 -20.616 -5.761 15 1HG PRO 2 HG2 PRO 2 -12.648 -18.471 -7.556 16 2HG PRO 2 HG1 PRO 2 -11.811 -19.878 -6.876 17 1HD PRO 2 HD2 PRO 2 -12.801 -19.750 -9.443 18 2HD PRO 2 HD1 PRO 2 -12.526 -21.256 -8.549 19 H ILE 3 HN ILE 3 -17.535 -19.418 -6.992 20 HA ILE 3 HA ILE 3 -17.439 -16.806 -8.264 21 HB ILE 3 HB ILE 3 -19.797 -18.210 -6.986 22 1HG1 ILE 3 HG12 ILE 3 -19.012 -18.084 -9.907 23 2HG1 ILE 3 HG11 ILE 3 -18.786 -19.491 -8.873 24 1HG2 ILE 3 HG21 ILE 3 -20.147 -15.830 -7.178 25 2HG2 ILE 3 HG22 ILE 3 -21.127 -16.662 -8.385 26 3HG2 ILE 3 HG23 ILE 3 -19.633 -15.856 -8.865 27 1HD1 ILE 3 HD11 ILE 3 -21.205 -19.639 -8.556 28 2HD1 ILE 3 HD12 ILE 3 -20.755 -19.736 -10.260 29 3HD1 ILE 3 HD13 ILE 3 -21.422 -18.239 -9.607 30 H VAL 4 HN VAL 4 -16.393 -15.406 -6.951 31 HA VAL 4 HA VAL 4 -16.158 -13.846 -5.318 32 HB VAL 4 HB VAL 4 -18.750 -14.935 -4.192 33 1HG1 VAL 4 HG11 VAL 4 -17.269 -12.388 -3.535 34 2HG1 VAL 4 HG12 VAL 4 -17.447 -13.790 -2.479 35 3HG1 VAL 4 HG13 VAL 4 -18.864 -12.840 -2.929 36 1HG2 VAL 4 HG21 VAL 4 -19.030 -13.997 -6.423 37 2HG2 VAL 4 HG22 VAL 4 -18.213 -12.517 -5.918 38 3HG2 VAL 4 HG23 VAL 4 -19.768 -12.951 -5.210 39 H SER 5 HN SER 5 -14.790 -13.871 -3.666 40 HA SER 5 HA SER 5 -14.111 -16.415 -2.491 41 1HB SER 5 HB2 SER 5 -12.408 -14.756 -3.300 42 2HB SER 5 HB1 SER 5 -12.876 -13.698 -1.971 43 HG SER 5 HG SER 5 -11.050 -15.486 -1.862 44 H LYS 6 HN LYS 6 -13.223 -15.793 0.014 45 HA LYS 6 HA LYS 6 -15.719 -15.846 1.434 46 1HB LYS 6 HB2 LYS 6 -13.744 -17.305 1.962 47 2HB LYS 6 HB1 LYS 6 -12.931 -15.878 2.591 48 1HG LYS 6 HG2 LYS 6 -14.527 -15.643 4.340 49 2HG LYS 6 HG1 LYS 6 -15.579 -16.865 3.626 50 1HD LYS 6 HD2 LYS 6 -12.821 -17.335 4.760 51 2HD LYS 6 HD1 LYS 6 -14.348 -17.764 5.532 52 1HE LYS 6 HE2 LYS 6 -13.268 -18.866 2.941 53 2HE LYS 6 HE1 LYS 6 -13.354 -19.715 4.482 54 1HZ LYS 6 HZ1 LYS 6 -15.753 -19.625 4.389 55 2HZ LYS 6 HZ2 LYS 6 -15.157 -20.329 2.962 56 3HZ LYS 6 HZ3 LYS 6 -15.704 -18.727 2.951 57 H TYR 7 HN TYR 7 -13.300 -13.462 0.766 58 HA TYR 7 HA TYR 7 -14.224 -11.717 2.870 59 1HB TYR 7 HB2 TYR 7 -12.734 -10.013 1.572 60 2HB TYR 7 HB1 TYR 7 -11.988 -11.293 2.514 61 HD1 TYR 7 HD1 TYR 7 -12.693 -10.093 -0.904 62 HD2 TYR 7 HD2 TYR 7 -10.711 -13.027 1.459 63 HE1 TYR 7 HE1 TYR 7 -11.361 -10.765 -2.861 64 HE2 TYR 7 HE2 TYR 7 -9.380 -13.707 -0.492 65 HH TYR 7 HH TYR 7 -9.192 -11.863 -3.341 66 H SER 8 HN SER 8 -16.182 -10.960 2.692 67 HA SER 8 HA SER 8 -17.541 -10.555 0.231 68 1HB SER 8 HB2 SER 8 -18.578 -11.126 2.468 69 2HB SER 8 HB1 SER 8 -18.282 -9.456 2.950 70 HG SER 8 HG SER 8 -20.424 -9.951 2.075 71 H ASN 9 HN ASN 9 -18.453 -8.481 -0.476 72 HA ASN 9 HA ASN 9 -16.446 -6.624 -1.041 73 1HB ASN 9 HB2 ASN 9 -18.454 -6.939 -2.439 74 2HB ASN 9 HB1 ASN 9 -19.446 -6.228 -1.173 75 1HD2 ASN 9 HD21 ASN 9 -19.332 -4.001 -0.790 76 2HD2 ASN 9 HD22 ASN 9 -18.623 -2.918 -1.939 77 H GLU 10 HN GLU 10 -19.200 -6.340 1.196 78 HA GLU 10 HA GLU 10 -18.585 -3.774 2.134 79 1HB GLU 10 HB2 GLU 10 -19.961 -5.996 3.648 80 2HB GLU 10 HB1 GLU 10 -20.051 -4.279 4.010 81 1HG GLU 10 HG2 GLU 10 -21.102 -5.648 1.549 82 2HG GLU 10 HG1 GLU 10 -22.050 -4.992 2.883 83 H ARG 11 HN ARG 11 -17.383 -6.926 3.093 84 HA ARG 11 HA ARG 11 -16.048 -6.070 5.445 85 1HB ARG 11 HB2 ARG 11 -16.482 -8.434 5.085 86 2HB ARG 11 HB1 ARG 11 -15.492 -8.428 3.632 87 1HG ARG 11 HG2 ARG 11 -13.504 -8.001 4.942 88 2HG ARG 11 HG1 ARG 11 -14.469 -7.879 6.415 89 1HD ARG 11 HD2 ARG 11 -15.133 -10.205 6.196 90 2HD ARG 11 HD1 ARG 11 -14.244 -10.338 4.681 91 HE ARG 11 HE ARG 11 -12.279 -10.510 5.865 92 1HH1 ARG 11 HH11 ARG 11 -14.852 -9.542 8.029 93 2HH1 ARG 11 HH12 ARG 11 -13.917 -9.790 9.469 94 1HH2 ARG 11 HH21 ARG 11 -11.048 -10.883 7.773 95 2HH2 ARG 11 HH22 ARG 11 -11.760 -10.538 9.323 96 H VAL 12 HN VAL 12 -15.006 -6.468 2.072 97 HA VAL 12 HA VAL 12 -12.320 -5.781 2.351 98 HB VAL 12 HB VAL 12 -14.145 -5.113 0.027 99 1HG1 VAL 12 HG11 VAL 12 -12.072 -3.830 -0.048 100 2HG1 VAL 12 HG12 VAL 12 -12.095 -5.060 -1.312 101 3HG1 VAL 12 HG13 VAL 12 -11.136 -5.311 0.147 102 1HG2 VAL 12 HG21 VAL 12 -13.251 -7.179 -0.967 103 2HG2 VAL 12 HG22 VAL 12 -14.169 -7.484 0.508 104 3HG2 VAL 12 HG23 VAL 12 -12.405 -7.521 0.543 105 H GLU 13 HN GLU 13 -15.134 -3.708 1.809 106 HA GLU 13 HA GLU 13 -13.832 -1.244 1.656 107 1HB GLU 13 HB2 GLU 13 -16.184 -1.577 1.058 108 2HB GLU 13 HB1 GLU 13 -16.581 -1.873 2.744 109 1HG GLU 13 HG2 GLU 13 -15.883 0.423 3.285 110 2HG GLU 13 HG1 GLU 13 -15.576 0.709 1.571 111 H LYS 14 HN LYS 14 -14.969 -3.065 4.471 112 HA LYS 14 HA LYS 14 -14.284 -0.944 6.285 113 1HB LYS 14 HB2 LYS 14 -15.356 -3.716 6.632 114 2HB LYS 14 HB1 LYS 14 -14.742 -2.820 8.019 115 1HG LYS 14 HG2 LYS 14 -16.296 -0.996 7.512 116 2HG LYS 14 HG1 LYS 14 -16.939 -1.932 6.163 117 1HD LYS 14 HD2 LYS 14 -17.698 -3.660 7.686 118 2HD LYS 14 HD1 LYS 14 -16.976 -2.804 9.051 119 1HE LYS 14 HE2 LYS 14 -19.365 -2.390 8.974 120 2HE LYS 14 HE1 LYS 14 -18.473 -0.905 8.641 121 1HZ LYS 14 HZ1 LYS 14 -20.286 -1.082 7.115 122 2HZ LYS 14 HZ2 LYS 14 -19.834 -2.653 6.660 123 3HZ LYS 14 HZ3 LYS 14 -18.853 -1.336 6.245 124 H ILE 15 HN ILE 15 -12.660 -3.746 5.011 125 HA ILE 15 HA ILE 15 -10.532 -3.811 6.879 126 HB ILE 15 HB ILE 15 -10.510 -4.507 3.931 127 1HG1 ILE 15 HG12 ILE 15 -10.723 -6.279 6.377 128 2HG1 ILE 15 HG11 ILE 15 -12.058 -5.856 5.312 129 1HG2 ILE 15 HG21 ILE 15 -8.480 -5.141 6.070 130 2HG2 ILE 15 HG22 ILE 15 -8.257 -4.033 4.717 131 3HG2 ILE 15 HG23 ILE 15 -8.457 -5.758 4.418 132 1HD1 ILE 15 HD11 ILE 15 -10.965 -7.010 3.470 133 2HD1 ILE 15 HD12 ILE 15 -11.206 -8.084 4.848 134 3HD1 ILE 15 HD13 ILE 15 -9.608 -7.412 4.522 135 H ILE 16 HN ILE 16 -10.979 -2.111 3.799 136 HA ILE 16 HA ILE 16 -8.621 -0.585 3.863 137 HB ILE 16 HB ILE 16 -11.295 0.208 2.685 138 1HG1 ILE 16 HG12 ILE 16 -8.966 -1.206 1.367 139 2HG1 ILE 16 HG11 ILE 16 -10.431 -2.011 1.919 140 1HG2 ILE 16 HG21 ILE 16 -8.506 1.129 1.997 141 2HG2 ILE 16 HG22 ILE 16 -9.697 2.066 2.899 142 3HG2 ILE 16 HG23 ILE 16 -9.998 1.645 1.211 143 1HD1 ILE 16 HD11 ILE 16 -10.474 -1.618 -0.473 144 2HD1 ILE 16 HD12 ILE 16 -10.279 0.114 -0.206 145 3HD1 ILE 16 HD13 ILE 16 -11.744 -0.704 0.338 146 H GLN 17 HN GLN 17 -11.868 0.040 5.143 147 HA GLN 17 HA GLN 17 -11.420 2.592 6.178 148 1HB GLN 17 HB2 GLN 17 -13.657 1.747 6.060 149 2HB GLN 17 HB1 GLN 17 -13.259 0.384 7.098 150 1HG GLN 17 HG2 GLN 17 -14.528 2.035 8.321 151 2HG GLN 17 HG1 GLN 17 -12.894 1.912 8.970 152 1HE2 GLN 17 HE21 GLN 17 -12.751 3.905 9.845 153 2HE2 GLN 17 HE22 GLN 17 -12.772 5.368 8.919 154 H ASP 18 HN ASP 18 -11.046 -0.575 7.746 155 HA ASP 18 HA ASP 18 -10.279 0.317 10.275 156 1HB ASP 18 HB2 ASP 18 -10.761 -2.097 9.308 157 2HB ASP 18 HB1 ASP 18 -9.009 -2.138 9.127 158 H LEU 19 HN LEU 19 -8.357 -0.209 7.367 159 HA LEU 19 HA LEU 19 -5.830 0.380 8.491 160 1HB LEU 19 HB2 LEU 19 -6.852 0.702 5.671 161 2HB LEU 19 HB1 LEU 19 -5.173 0.908 6.132 162 HG LEU 19 HG LEU 19 -6.725 -1.660 6.463 163 1HD1 LEU 19 HD11 LEU 19 -5.427 -2.472 4.557 164 2HD1 LEU 19 HD12 LEU 19 -4.735 -0.863 4.344 165 3HD1 LEU 19 HD13 LEU 19 -6.464 -1.119 4.106 166 1HD2 LEU 19 HD21 LEU 19 -4.531 -2.648 6.851 167 2HD2 LEU 19 HD22 LEU 19 -4.872 -1.388 8.036 168 3HD2 LEU 19 HD23 LEU 19 -3.778 -1.061 6.693 169 H LEU 20 HN LEU 20 -8.293 2.404 6.952 170 HA LEU 20 HA LEU 20 -6.842 4.826 7.021 171 1HB LEU 20 HB2 LEU 20 -9.828 4.378 7.049 172 2HB LEU 20 HB1 LEU 20 -9.041 5.913 6.735 173 HG LEU 20 HG LEU 20 -8.783 3.444 5.013 174 1HD1 LEU 20 HD11 LEU 20 -11.012 4.396 4.879 175 2HD1 LEU 20 HD12 LEU 20 -10.116 4.723 3.395 176 3HD1 LEU 20 HD13 LEU 20 -10.331 5.997 4.596 177 1HD2 LEU 20 HD21 LEU 20 -7.658 4.914 3.441 178 2HD2 LEU 20 HD22 LEU 20 -6.788 4.866 4.974 179 3HD2 LEU 20 HD23 LEU 20 -7.794 6.259 4.573 180 H ASP 21 HN ASP 21 -9.037 3.284 9.314 181 HA ASP 21 HA ASP 21 -9.191 5.313 11.225 182 1HB ASP 21 HB2 ASP 21 -9.352 2.317 11.422 183 2HB ASP 21 HB1 ASP 21 -9.394 3.309 12.876 184 H VAL 22 HN VAL 22 -6.753 2.782 10.790 185 HA VAL 22 HA VAL 22 -5.160 3.512 13.007 186 HB VAL 22 HB VAL 22 -4.367 2.151 10.424 187 1HG1 VAL 22 HG11 VAL 22 -2.425 3.146 11.547 188 2HG1 VAL 22 HG12 VAL 22 -2.379 1.384 11.604 189 3HG1 VAL 22 HG13 VAL 22 -2.857 2.300 13.033 190 1HG2 VAL 22 HG21 VAL 22 -4.500 0.094 11.746 191 2HG2 VAL 22 HG22 VAL 22 -6.051 0.931 11.690 192 3HG2 VAL 22 HG23 VAL 22 -5.048 1.028 13.137 193 H LEU 23 HN LEU 23 -5.106 4.471 9.604 194 HA LEU 23 HA LEU 23 -2.763 6.004 9.689 195 1HB LEU 23 HB2 LEU 23 -5.170 6.279 7.891 196 2HB LEU 23 HB1 LEU 23 -3.638 7.087 7.633 197 HG LEU 23 HG LEU 23 -4.061 4.098 7.621 198 1HD1 LEU 23 HD11 LEU 23 -5.046 5.148 5.674 199 2HD1 LEU 23 HD12 LEU 23 -3.571 4.294 5.218 200 3HD1 LEU 23 HD13 LEU 23 -3.559 6.050 5.380 201 1HD2 LEU 23 HD21 LEU 23 -1.598 5.721 6.988 202 2HD2 LEU 23 HD22 LEU 23 -1.755 3.968 6.857 203 3HD2 LEU 23 HD23 LEU 23 -1.840 4.747 8.437 204 H VAL 24 HN VAL 24 -6.119 6.882 10.395 205 HA VAL 24 HA VAL 24 -5.483 9.674 10.684 206 HB VAL 24 HB VAL 24 -7.749 8.890 10.007 207 1HG1 VAL 24 HG11 VAL 24 -9.325 8.144 11.725 208 2HG1 VAL 24 HG12 VAL 24 -8.006 8.067 12.893 209 3HG1 VAL 24 HG13 VAL 24 -8.009 6.994 11.493 210 1HG2 VAL 24 HG21 VAL 24 -7.625 10.608 12.480 211 2HG2 VAL 24 HG22 VAL 24 -8.988 10.519 11.363 212 3HG2 VAL 24 HG23 VAL 24 -7.435 11.146 10.811 213 H LYS 25 HN LYS 25 -5.688 6.896 12.814 214 HA LYS 25 HA LYS 25 -5.593 8.279 15.274 215 1HB LYS 25 HB2 LYS 25 -4.867 5.505 14.398 216 2HB LYS 25 HB1 LYS 25 -4.440 6.047 16.014 217 1HG LYS 25 HG2 LYS 25 -6.735 6.411 16.572 218 2HG LYS 25 HG1 LYS 25 -7.236 6.111 14.907 219 1HD LYS 25 HD2 LYS 25 -6.737 3.823 15.052 220 2HD LYS 25 HD1 LYS 25 -5.771 4.039 16.512 221 1HE LYS 25 HE2 LYS 25 -8.731 4.573 16.399 222 2HE LYS 25 HE1 LYS 25 -8.048 3.007 16.839 223 1HZ LYS 25 HZ1 LYS 25 -7.499 5.569 18.246 224 2HZ LYS 25 HZ2 LYS 25 -6.910 4.037 18.680 225 3HZ LYS 25 HZ3 LYS 25 -8.568 4.368 18.783 226 H GLU 26 HN GLU 26 -3.097 7.156 13.064 227 HA GLU 26 HA GLU 26 -0.963 8.057 14.783 228 1HB GLU 26 HB2 GLU 26 -0.957 7.039 11.940 229 2HB GLU 26 HB1 GLU 26 0.490 7.422 12.864 230 1HG GLU 26 HG2 GLU 26 -1.546 5.325 13.577 231 2HG GLU 26 HG1 GLU 26 0.028 5.029 12.842 232 H GLU 27 HN GLU 27 -3.020 9.489 12.522 233 HA GLU 27 HA GLU 27 -3.077 11.473 11.424 234 1HB GLU 27 HB2 GLU 27 -1.605 11.992 13.907 235 2HB GLU 27 HB1 GLU 27 -1.285 13.164 12.634 236 1HG GLU 27 HG2 GLU 27 -4.011 12.406 13.661 237 2HG GLU 27 HG1 GLU 27 -3.113 13.860 14.100 238 H VAL 28 HN VAL 28 -1.631 9.697 10.106 239 HA VAL 28 HA VAL 28 1.047 10.477 9.574 240 HB VAL 28 HB VAL 28 0.950 8.890 7.703 241 1HG1 VAL 28 HG11 VAL 28 1.392 8.070 9.953 242 2HG1 VAL 28 HG12 VAL 28 0.484 6.883 9.017 243 3HG1 VAL 28 HG13 VAL 28 -0.338 7.864 10.231 244 1HG2 VAL 28 HG21 VAL 28 -1.334 9.332 6.945 245 2HG2 VAL 28 HG22 VAL 28 -1.969 8.599 8.417 246 3HG2 VAL 28 HG23 VAL 28 -1.086 7.613 7.250 247 H THR 29 HN THR 29 1.910 11.709 8.013 248 HA THR 29 HA THR 29 0.145 13.332 6.359 249 HB THR 29 HB THR 29 2.406 14.377 5.686 250 HG1 THR 29 HG1 THR 29 3.605 13.636 8.008 251 1HG2 THR 29 HG21 THR 29 1.530 14.531 8.573 252 2HG2 THR 29 HG22 THR 29 0.829 15.441 7.235 253 3HG2 THR 29 HG23 THR 29 2.501 15.730 7.719 254 HA PRO 30 HA PRO 30 0.632 11.412 2.378 255 1HB PRO 30 HB2 PRO 30 2.547 13.587 1.622 256 2HB PRO 30 HB1 PRO 30 1.179 12.929 0.715 257 1HG PRO 30 HG2 PRO 30 0.947 15.246 1.998 258 2HG PRO 30 HG1 PRO 30 -0.387 14.081 1.984 259 1HD PRO 30 HD2 PRO 30 1.478 14.792 4.185 260 2HD PRO 30 HD1 PRO 30 -0.207 14.244 4.261 261 H ASP 31 HN ASP 31 3.833 12.866 3.099 262 HA ASP 31 HA ASP 31 5.310 10.827 1.837 263 1HB ASP 31 HB2 ASP 31 6.073 12.869 3.917 264 2HB ASP 31 HB1 ASP 31 7.235 11.718 3.273 265 H LEU 32 HN LEU 32 4.307 11.240 5.193 266 HA LEU 32 HA LEU 32 5.775 9.075 6.256 267 1HB LEU 32 HB2 LEU 32 4.834 10.855 7.648 268 2HB LEU 32 HB1 LEU 32 3.211 10.352 7.217 269 HG LEU 32 HG LEU 32 3.565 8.212 8.383 270 1HD1 LEU 32 HD11 LEU 32 5.526 7.917 9.810 271 2HD1 LEU 32 HD12 LEU 32 6.221 9.404 9.165 272 3HD1 LEU 32 HD13 LEU 32 5.973 8.014 8.108 273 1HD2 LEU 32 HD21 LEU 32 4.178 10.644 10.057 274 2HD2 LEU 32 HD22 LEU 32 3.547 9.109 10.654 275 3HD2 LEU 32 HD23 LEU 32 2.574 10.101 9.567 276 H ALA 33 HN ALA 33 2.440 9.357 5.089 277 HA ALA 33 HA ALA 33 1.622 6.743 5.675 278 1HB ALA 33 HB1 ALA 33 0.076 8.572 5.123 279 2HB ALA 33 HB2 ALA 33 -0.210 7.136 4.140 280 3HB ALA 33 HB3 ALA 33 0.635 8.523 3.450 281 H LEU 34 HN LEU 34 2.914 8.116 2.647 282 HA LEU 34 HA LEU 34 2.764 5.746 1.148 283 1HB LEU 34 HB2 LEU 34 4.657 8.077 0.867 284 2HB LEU 34 HB1 LEU 34 4.451 6.813 -0.331 285 HG LEU 34 HG LEU 34 2.318 8.760 0.553 286 1HD1 LEU 34 HD11 LEU 34 2.545 9.701 -1.671 287 2HD1 LEU 34 HD12 LEU 34 3.821 8.546 -2.051 288 3HD1 LEU 34 HD13 LEU 34 4.086 9.775 -0.815 289 1HD2 LEU 34 HD21 LEU 34 2.250 6.650 -1.601 290 2HD2 LEU 34 HD22 LEU 34 0.968 7.799 -1.219 291 3HD2 LEU 34 HD23 LEU 34 1.416 6.556 -0.050 292 H MET 35 HN MET 35 5.287 6.998 3.268 293 HA MET 35 HA MET 35 7.259 5.076 2.633 294 1HB MET 35 HB2 MET 35 7.891 7.104 3.751 295 2HB MET 35 HB1 MET 35 6.812 6.766 5.095 296 1HG MET 35 HG2 MET 35 8.190 4.971 5.843 297 2HG MET 35 HG1 MET 35 9.189 5.064 4.394 298 1HE MET 35 HE1 MET 35 9.043 8.567 7.396 299 2HE MET 35 HE2 MET 35 7.997 7.158 7.557 300 3HE MET 35 HE3 MET 35 7.816 8.235 6.170 301 H CYS 36 HN CYS 36 4.794 5.191 5.187 302 HA CYS 36 HA CYS 36 5.539 2.702 6.341 303 1HB CYS 36 HB2 CYS 36 2.955 4.256 6.544 304 2HB CYS 36 HB1 CYS 36 3.377 2.866 7.539 305 HG CYS 36 HG CYS 36 4.976 4.065 9.213 306 H LEU 37 HN LEU 37 2.979 3.656 4.071 307 HA LEU 37 HA LEU 37 1.779 1.120 3.829 308 1HB LEU 37 HB2 LEU 37 1.919 3.431 1.896 309 2HB LEU 37 HB1 LEU 37 0.943 2.001 1.624 310 HG LEU 37 HG LEU 37 0.605 3.871 3.973 311 1HD1 LEU 37 HD11 LEU 37 0.055 5.003 1.891 312 2HD1 LEU 37 HD12 LEU 37 -1.406 4.648 2.813 313 3HD1 LEU 37 HD13 LEU 37 -0.981 3.657 1.417 314 1HD2 LEU 37 HD21 LEU 37 -1.089 1.597 2.947 315 2HD2 LEU 37 HD22 LEU 37 -1.520 2.684 4.268 316 3HD2 LEU 37 HD23 LEU 37 -0.135 1.601 4.430 317 H GLY 38 HN GLY 38 4.369 2.679 1.978 318 1HA GLY 38 HA2 GLY 38 4.706 0.758 -0.010 319 2HA GLY 38 HA1 GLY 38 5.978 1.807 0.597 320 H ASN 39 HN ASN 39 6.199 0.925 3.207 321 HA ASN 39 HA ASN 39 7.807 -1.386 2.862 322 1HB ASN 39 HB2 ASN 39 6.951 0.240 5.225 323 2HB ASN 39 HB1 ASN 39 7.728 -1.319 5.487 324 1HD2 ASN 39 HD21 ASN 39 8.128 1.918 4.246 325 2HD2 ASN 39 HD22 ASN 39 9.858 1.877 4.159 326 H ALA 40 HN ALA 40 4.548 -0.882 4.090 327 HA ALA 40 HA ALA 40 4.140 -3.503 5.072 328 1HB ALA 40 HB1 ALA 40 2.698 -1.637 5.707 329 2HB ALA 40 HB2 ALA 40 1.758 -2.953 5.005 330 3HB ALA 40 HB3 ALA 40 2.112 -1.515 4.048 331 H VAL 41 HN VAL 41 3.447 -1.985 1.932 332 HA VAL 41 HA VAL 41 2.244 -4.208 0.707 333 HB VAL 41 HB VAL 41 3.872 -2.016 -0.599 334 1HG1 VAL 41 HG11 VAL 41 1.862 -3.939 -1.761 335 2HG1 VAL 41 HG12 VAL 41 3.593 -3.882 -2.102 336 3HG1 VAL 41 HG13 VAL 41 2.548 -2.555 -2.611 337 1HG2 VAL 41 HG21 VAL 41 0.898 -2.204 -0.119 338 2HG2 VAL 41 HG22 VAL 41 1.726 -0.924 -1.007 339 3HG2 VAL 41 HG23 VAL 41 2.018 -1.129 0.720 340 H THR 42 HN THR 42 5.635 -3.205 0.928 341 HA THR 42 HA THR 42 6.797 -5.080 -0.759 342 HB THR 42 HB THR 42 7.960 -4.068 1.847 343 HG1 THR 42 HG1 THR 42 7.680 -2.922 -0.708 344 1HG2 THR 42 HG21 THR 42 10.133 -4.463 0.759 345 2HG2 THR 42 HG22 THR 42 9.304 -5.141 -0.641 346 3HG2 THR 42 HG23 THR 42 9.211 -5.957 0.919 347 H ASN 43 HN ASN 43 6.019 -5.382 2.707 348 HA ASN 43 HA ASN 43 7.097 -7.939 3.095 349 1HB ASN 43 HB2 ASN 43 6.461 -6.507 4.973 350 2HB ASN 43 HB1 ASN 43 4.765 -6.624 4.511 351 1HD2 ASN 43 HD21 ASN 43 4.192 -7.492 6.500 352 2HD2 ASN 43 HD22 ASN 43 4.583 -9.112 6.944 353 H ILE 44 HN ILE 44 3.857 -6.920 2.092 354 HA ILE 44 HA ILE 44 2.697 -9.501 2.112 355 HB ILE 44 HB ILE 44 1.896 -7.058 0.523 356 1HG1 ILE 44 HG12 ILE 44 1.875 -6.654 2.931 357 2HG1 ILE 44 HG11 ILE 44 0.229 -6.737 2.316 358 1HG2 ILE 44 HG21 ILE 44 -0.302 -8.119 0.342 359 2HG2 ILE 44 HG22 ILE 44 0.329 -9.558 1.143 360 3HG2 ILE 44 HG23 ILE 44 0.951 -9.084 -0.439 361 1HD1 ILE 44 HD11 ILE 44 0.443 -7.883 4.447 362 2HD1 ILE 44 HD12 ILE 44 1.679 -8.939 3.765 363 3HD1 ILE 44 HD13 ILE 44 0.023 -9.015 3.162 364 H ILE 45 HN ILE 45 4.113 -7.553 -0.514 365 HA ILE 45 HA ILE 45 3.613 -9.475 -2.538 366 HB ILE 45 HB ILE 45 5.627 -7.225 -2.480 367 1HG1 ILE 45 HG12 ILE 45 2.840 -7.419 -3.641 368 2HG1 ILE 45 HG11 ILE 45 3.319 -6.467 -2.239 369 1HG2 ILE 45 HG21 ILE 45 5.711 -7.436 -4.905 370 2HG2 ILE 45 HG22 ILE 45 4.626 -8.825 -4.835 371 3HG2 ILE 45 HG23 ILE 45 6.241 -8.929 -4.130 372 1HD1 ILE 45 HD11 ILE 45 3.048 -5.059 -4.183 373 2HD1 ILE 45 HD12 ILE 45 4.217 -6.026 -5.078 374 3HD1 ILE 45 HD13 ILE 45 4.737 -5.083 -3.680 375 H ALA 46 HN ALA 46 6.216 -9.040 -0.255 376 HA ALA 46 HA ALA 46 8.163 -10.617 -1.566 377 1HB ALA 46 HB1 ALA 46 9.294 -10.709 0.583 378 2HB ALA 46 HB2 ALA 46 7.839 -10.136 1.397 379 3HB ALA 46 HB3 ALA 46 8.696 -9.078 0.276 380 H GLN 47 HN GLN 47 5.326 -11.417 0.216 381 HA GLN 47 HA GLN 47 6.150 -14.104 0.864 382 1HB GLN 47 HB2 GLN 47 3.439 -12.783 1.034 383 2HB GLN 47 HB1 GLN 47 3.854 -14.352 1.715 384 1HG GLN 47 HG2 GLN 47 5.391 -13.346 3.251 385 2HG GLN 47 HG1 GLN 47 5.190 -11.769 2.490 386 1HE2 GLN 47 HE21 GLN 47 4.508 -10.768 4.334 387 2HE2 GLN 47 HE22 GLN 47 2.975 -11.082 5.077 388 H VAL 48 HN VAL 48 5.012 -12.572 -1.881 389 HA VAL 48 HA VAL 48 3.458 -14.749 -2.961 390 HB VAL 48 HB VAL 48 4.646 -12.364 -4.399 391 1HG1 VAL 48 HG11 VAL 48 3.950 -14.157 -5.895 392 2HG1 VAL 48 HG12 VAL 48 2.899 -12.750 -6.055 393 3HG1 VAL 48 HG13 VAL 48 2.349 -14.164 -5.156 394 1HG2 VAL 48 HG21 VAL 48 2.425 -11.326 -4.130 395 2HG2 VAL 48 HG22 VAL 48 3.246 -11.585 -2.592 396 3HG2 VAL 48 HG23 VAL 48 1.944 -12.666 -3.089 397 HA PRO 49 HA PRO 49 6.926 -17.147 -4.422 398 1HB PRO 49 HB2 PRO 49 5.046 -18.043 -6.529 399 2HB PRO 49 HB1 PRO 49 5.959 -18.999 -5.357 400 1HG PRO 49 HG2 PRO 49 3.325 -18.652 -5.095 401 2HG PRO 49 HG1 PRO 49 4.396 -18.679 -3.680 402 1HD PRO 49 HD2 PRO 49 3.140 -16.339 -5.064 403 2HD PRO 49 HD1 PRO 49 3.373 -16.628 -3.328 404 H GLU 50 HN GLU 50 8.395 -17.172 -6.062 405 HA GLU 50 HA GLU 50 8.920 -14.788 -7.315 406 1HB GLU 50 HB2 GLU 50 10.438 -16.823 -6.848 407 2HB GLU 50 HB1 GLU 50 9.909 -17.408 -8.419 408 1HG GLU 50 HG2 GLU 50 11.926 -16.333 -8.833 409 2HG GLU 50 HG1 GLU 50 10.696 -15.171 -9.336 410 H SER 51 HN SER 51 7.122 -17.527 -8.587 411 HA SER 51 HA SER 51 7.247 -17.055 -11.305 412 1HB SER 51 HB2 SER 51 6.221 -19.058 -10.353 413 2HB SER 51 HB1 SER 51 4.899 -18.093 -9.697 414 HG SER 51 HG SER 51 4.804 -19.273 -11.931 415 H LYS 52 HN LYS 52 5.074 -15.531 -8.928 416 HA LYS 52 HA LYS 52 4.168 -13.746 -11.090 417 1HB LYS 52 HB2 LYS 52 1.948 -13.683 -10.010 418 2HB LYS 52 HB1 LYS 52 2.384 -15.297 -10.557 419 1HG LYS 52 HG2 LYS 52 3.006 -15.906 -8.277 420 2HG LYS 52 HG1 LYS 52 2.573 -14.289 -7.727 421 1HD LYS 52 HD2 LYS 52 0.683 -15.517 -7.200 422 2HD LYS 52 HD1 LYS 52 0.256 -14.819 -8.761 423 1HE LYS 52 HE2 LYS 52 1.440 -17.572 -8.456 424 2HE LYS 52 HE1 LYS 52 -0.294 -17.270 -8.437 425 1HZ LYS 52 HZ1 LYS 52 0.371 -17.922 -10.619 426 2HZ LYS 52 HZ2 LYS 52 1.582 -16.739 -10.684 427 3HZ LYS 52 HZ3 LYS 52 -0.053 -16.279 -10.676 428 H ARG 53 HN ARG 53 5.988 -13.784 -8.427 429 HA ARG 53 HA ARG 53 4.918 -11.761 -6.784 430 1HB ARG 53 HB2 ARG 53 6.555 -13.277 -5.905 431 2HB ARG 53 HB1 ARG 53 7.740 -12.778 -7.103 432 1HG ARG 53 HG2 ARG 53 8.122 -10.738 -6.054 433 2HG ARG 53 HG1 ARG 53 6.624 -10.827 -5.127 434 1HD ARG 53 HD2 ARG 53 8.674 -11.249 -3.786 435 2HD ARG 53 HD1 ARG 53 7.507 -12.567 -3.741 436 HE ARG 53 HE ARG 53 9.409 -13.017 -5.778 437 1HH1 ARG 53 HH11 ARG 53 9.017 -13.153 -2.302 438 2HH1 ARG 53 HH12 ARG 53 10.329 -14.263 -2.075 439 1HH2 ARG 53 HH21 ARG 53 11.136 -14.463 -5.478 440 2HH2 ARG 53 HH22 ARG 53 11.537 -15.005 -3.873 441 H VAL 54 HN VAL 54 6.999 -11.622 -9.607 442 HA VAL 54 HA VAL 54 7.511 -8.793 -9.248 443 HB VAL 54 HB VAL 54 8.129 -10.555 -11.632 444 1HG1 VAL 54 HG11 VAL 54 8.104 -8.193 -12.205 445 2HG1 VAL 54 HG12 VAL 54 9.757 -8.808 -12.210 446 3HG1 VAL 54 HG13 VAL 54 9.181 -7.836 -10.855 447 1HG2 VAL 54 HG21 VAL 54 9.898 -9.750 -9.321 448 2HG2 VAL 54 HG22 VAL 54 10.400 -10.677 -10.735 449 3HG2 VAL 54 HG23 VAL 54 9.234 -11.360 -9.603 450 H ALA 55 HN ALA 55 5.359 -10.887 -11.000 451 HA ALA 55 HA ALA 55 4.354 -8.955 -12.822 452 1HB ALA 55 HB1 ALA 55 4.161 -11.382 -13.179 453 2HB ALA 55 HB2 ALA 55 2.604 -10.561 -13.287 454 3HB ALA 55 HB3 ALA 55 3.021 -11.473 -11.837 455 H VAL 56 HN VAL 56 3.319 -10.025 -9.604 456 HA VAL 56 HA VAL 56 0.861 -8.619 -9.645 457 HB VAL 56 HB VAL 56 0.819 -8.921 -7.181 458 1HG1 VAL 56 HG11 VAL 56 -0.093 -10.623 -8.628 459 2HG1 VAL 56 HG12 VAL 56 0.700 -11.378 -7.245 460 3HG1 VAL 56 HG13 VAL 56 1.499 -11.355 -8.817 461 1HG2 VAL 56 HG21 VAL 56 2.551 -10.275 -6.111 462 2HG2 VAL 56 HG22 VAL 56 3.197 -8.746 -6.709 463 3HG2 VAL 56 HG23 VAL 56 3.496 -10.241 -7.598 464 H VAL 57 HN VAL 57 4.085 -7.720 -8.436 465 HA VAL 57 HA VAL 57 3.195 -5.259 -7.319 466 HB VAL 57 HB VAL 57 5.280 -6.222 -6.538 467 1HG1 VAL 57 HG11 VAL 57 6.367 -5.687 -9.300 468 2HG1 VAL 57 HG12 VAL 57 6.067 -7.270 -8.583 469 3HG1 VAL 57 HG13 VAL 57 7.310 -6.218 -7.906 470 1HG2 VAL 57 HG21 VAL 57 5.029 -3.834 -6.307 471 2HG2 VAL 57 HG22 VAL 57 5.685 -3.575 -7.923 472 3HG2 VAL 57 HG23 VAL 57 6.715 -4.225 -6.646 473 H ASP 58 HN ASP 58 4.339 -6.223 -10.494 474 HA ASP 58 HA ASP 58 4.662 -3.620 -11.562 475 1HB ASP 58 HB2 ASP 58 5.232 -6.066 -12.509 476 2HB ASP 58 HB1 ASP 58 3.705 -5.797 -13.343 477 H ASN 59 HN ASN 59 1.960 -5.925 -11.645 478 HA ASN 59 HA ASN 59 0.100 -4.266 -12.948 479 1HB ASN 59 HB2 ASN 59 -0.137 -6.654 -11.155 480 2HB ASN 59 HB1 ASN 59 -1.584 -5.739 -11.564 481 1HD2 ASN 59 HD21 ASN 59 0.924 -7.826 -12.750 482 2HD2 ASN 59 HD22 ASN 59 0.190 -8.157 -14.283 483 H PHE 60 HN PHE 60 0.950 -4.641 -9.560 484 HA PHE 60 HA PHE 60 -1.028 -3.053 -8.396 485 1HB PHE 60 HB2 PHE 60 0.694 -4.500 -7.225 486 2HB PHE 60 HB1 PHE 60 1.854 -3.206 -7.501 487 HD1 PHE 60 HD1 PHE 60 -1.463 -3.861 -5.944 488 HD2 PHE 60 HD2 PHE 60 2.099 -1.536 -5.931 489 HE1 PHE 60 HE1 PHE 60 -2.169 -2.795 -3.843 490 HE2 PHE 60 HE2 PHE 60 1.397 -0.465 -3.832 491 HZ PHE 60 HZ PHE 60 -0.737 -1.095 -2.782 492 H THR 61 HN THR 61 2.228 -2.164 -9.509 493 HA THR 61 HA THR 61 1.957 0.584 -8.953 494 HB THR 61 HB THR 61 3.945 0.873 -10.423 495 HG1 THR 61 HG1 THR 61 3.184 -1.585 -11.322 496 1HG2 THR 61 HG21 THR 61 5.468 -0.509 -9.036 497 2HG2 THR 61 HG22 THR 61 4.061 -1.351 -8.387 498 3HG2 THR 61 HG23 THR 61 4.273 0.375 -8.088 499 H LYS 62 HN LYS 62 1.276 -1.346 -11.826 500 HA LYS 62 HA LYS 62 0.709 0.745 -13.614 501 1HB LYS 62 HB2 LYS 62 0.946 -1.583 -14.328 502 2HB LYS 62 HB1 LYS 62 -0.488 -2.029 -13.416 503 1HG LYS 62 HG2 LYS 62 -1.120 -1.900 -15.690 504 2HG LYS 62 HG1 LYS 62 -1.795 -0.480 -14.892 505 1HD LYS 62 HD2 LYS 62 0.137 0.842 -15.717 506 2HD LYS 62 HD1 LYS 62 0.693 -0.585 -16.599 507 1HE LYS 62 HE2 LYS 62 -1.494 -0.614 -17.792 508 2HE LYS 62 HE1 LYS 62 -1.895 0.910 -17.002 509 1HZ LYS 62 HZ1 LYS 62 0.195 1.811 -18.038 510 2HZ LYS 62 HZ2 LYS 62 -1.057 1.444 -19.120 511 3HZ LYS 62 HZ3 LYS 62 0.265 0.390 -18.964 512 H ALA 63 HN ALA 63 -1.422 -1.076 -11.430 513 HA ALA 63 HA ALA 63 -3.807 0.264 -12.111 514 1HB ALA 63 HB1 ALA 63 -3.750 -1.919 -10.992 515 2HB ALA 63 HB2 ALA 63 -4.749 -0.757 -10.119 516 3HB ALA 63 HB3 ALA 63 -3.133 -1.148 -9.531 517 H LEU 64 HN LEU 64 -1.387 0.877 -9.609 518 HA LEU 64 HA LEU 64 -2.685 2.869 -8.170 519 1HB LEU 64 HB2 LEU 64 0.202 2.331 -8.762 520 2HB LEU 64 HB1 LEU 64 -0.260 3.768 -7.874 521 HG LEU 64 HG LEU 64 -0.965 0.965 -7.009 522 1HD1 LEU 64 HD11 LEU 64 0.814 1.217 -5.362 523 2HD1 LEU 64 HD12 LEU 64 1.253 2.774 -6.065 524 3HD1 LEU 64 HD13 LEU 64 1.456 1.293 -7.003 525 1HD2 LEU 64 HD21 LEU 64 -1.411 2.084 -4.853 526 2HD2 LEU 64 HD22 LEU 64 -2.475 2.651 -6.141 527 3HD2 LEU 64 HD23 LEU 64 -1.111 3.640 -5.625 528 H LYS 65 HN LYS 65 -0.357 3.352 -10.834 529 HA LYS 65 HA LYS 65 -0.710 6.139 -10.956 530 1HB LYS 65 HB2 LYS 65 0.292 4.189 -13.029 531 2HB LYS 65 HB1 LYS 65 0.341 5.935 -13.234 532 1HG LYS 65 HG2 LYS 65 1.751 6.102 -11.212 533 2HG LYS 65 HG1 LYS 65 1.746 4.342 -11.095 534 1HD LYS 65 HD2 LYS 65 2.748 5.865 -13.497 535 2HD LYS 65 HD1 LYS 65 3.783 5.316 -12.178 536 1HE LYS 65 HE2 LYS 65 3.108 3.002 -12.625 537 2HE LYS 65 HE1 LYS 65 2.085 3.560 -13.949 538 1HZ LYS 65 HZ1 LYS 65 4.235 2.727 -14.723 539 2HZ LYS 65 HZ2 LYS 65 5.034 3.912 -13.806 540 3HZ LYS 65 HZ3 LYS 65 4.032 4.369 -15.097 541 H GLN 66 HN GLN 66 -2.321 3.508 -12.620 542 HA GLN 66 HA GLN 66 -3.800 4.964 -14.493 543 1HB GLN 66 HB2 GLN 66 -3.603 2.541 -14.564 544 2HB GLN 66 HB1 GLN 66 -4.461 2.398 -13.038 545 1HG GLN 66 HG2 GLN 66 -6.484 3.262 -14.087 546 2HG GLN 66 HG1 GLN 66 -5.623 3.431 -15.618 547 1HE2 GLN 66 HE21 GLN 66 -4.105 0.977 -15.170 548 2HE2 GLN 66 HE22 GLN 66 -5.194 -0.329 -15.481 549 H SER 67 HN SER 67 -4.631 4.003 -11.171 550 HA SER 67 HA SER 67 -7.241 5.146 -11.269 551 1HB SER 67 HB2 SER 67 -5.589 4.308 -8.875 552 2HB SER 67 HB1 SER 67 -7.329 4.604 -8.880 553 HG SER 67 HG SER 67 -5.866 2.499 -10.050 554 H VAL 68 HN VAL 68 -4.092 6.345 -10.426 555 HA VAL 68 HA VAL 68 -5.050 8.605 -8.932 556 HB VAL 68 HB VAL 68 -2.329 7.926 -10.049 557 1HG1 VAL 68 HG11 VAL 68 -1.460 9.803 -8.729 558 2HG1 VAL 68 HG12 VAL 68 -3.109 10.280 -8.326 559 3HG1 VAL 68 HG13 VAL 68 -2.554 10.354 -9.999 560 1HG2 VAL 68 HG21 VAL 68 -3.409 8.005 -7.231 561 2HG2 VAL 68 HG22 VAL 68 -1.756 7.597 -7.690 562 3HG2 VAL 68 HG23 VAL 68 -3.089 6.551 -8.177 563 H LEU 69 HN LEU 69 -3.787 8.119 -12.222 564 HA LEU 69 HA LEU 69 -3.831 10.857 -12.930 565 1HB LEU 69 HB2 LEU 69 -3.885 8.379 -14.649 566 2HB LEU 69 HB1 LEU 69 -3.721 10.005 -15.284 567 HG LEU 69 HG LEU 69 -1.771 8.596 -13.462 568 1HD1 LEU 69 HD11 LEU 69 -1.707 7.775 -15.737 569 2HD1 LEU 69 HD12 LEU 69 -0.274 8.746 -15.398 570 3HD1 LEU 69 HD13 LEU 69 -1.594 9.424 -16.353 571 1HD2 LEU 69 HD21 LEU 69 -0.360 10.561 -13.741 572 2HD2 LEU 69 HD22 LEU 69 -1.888 10.989 -12.970 573 3HD2 LEU 69 HD23 LEU 69 -1.630 11.351 -14.675 574 H GLU 70 HN GLU 70 -6.237 8.304 -13.170 575 HA GLU 70 HA GLU 70 -8.083 9.862 -14.683 576 1HB GLU 70 HB2 GLU 70 -8.135 7.375 -14.586 577 2HB GLU 70 HB1 GLU 70 -8.650 7.485 -12.909 578 1HG GLU 70 HG2 GLU 70 -10.708 8.523 -13.537 579 2HG GLU 70 HG1 GLU 70 -10.180 8.665 -15.215 580 H HIS 71 HN HIS 71 -8.343 8.682 -11.382 581 HA HIS 71 HA HIS 71 -9.791 9.386 -9.707 582 1HB HIS 71 HB2 HIS 71 -7.494 10.046 -9.119 583 2HB HIS 71 HB1 HIS 71 -7.756 11.615 -9.875 584 HD1 HIS 71 HD1 HIS 71 -8.385 13.406 -8.273 585 HD2 HIS 71 HD2 HIS 71 -9.558 9.645 -6.933 586 HE1 HIS 71 HE1 HIS 71 -9.427 13.782 -6.024 587 HE2 HIS 71 HE2 HIS 71 -10.391 11.545 -5.393 588 H HIS 72 HN HIS 72 -9.056 12.700 -10.373 589 HA HIS 72 HA HIS 72 -10.462 14.481 -10.104 590 1HB HIS 72 HB2 HIS 72 -11.364 13.176 -12.669 591 2HB HIS 72 HB1 HIS 72 -11.902 14.777 -12.169 592 HD1 HIS 72 HD1 HIS 72 -9.092 12.993 -13.745 593 HD2 HIS 72 HD2 HIS 72 -9.781 16.736 -12.072 594 HE1 HIS 72 HE1 HIS 72 -7.197 14.446 -14.527 595 HE2 HIS 72 HE2 HIS 72 -7.535 16.651 -13.357 596 H HIS 73 HN HIS 73 -13.116 13.034 -11.722 597 HA HIS 73 HA HIS 73 -14.472 12.485 -9.175 598 1HB HIS 73 HB2 HIS 73 -15.595 13.961 -11.566 599 2HB HIS 73 HB1 HIS 73 -16.588 13.328 -10.260 600 HD1 HIS 73 HD1 HIS 73 -14.369 16.144 -11.176 601 HD2 HIS 73 HD2 HIS 73 -16.287 14.695 -7.778 602 HE1 HIS 73 HE1 HIS 73 -14.283 18.017 -9.492 603 HE2 HIS 73 HE2 HIS 73 -15.551 17.159 -7.486 604 H HIS 74 HN HIS 74 -15.054 10.412 -9.116 605 HA HIS 74 HA HIS 74 -15.072 8.845 -11.523 606 1HB HIS 74 HB2 HIS 74 -15.610 8.197 -8.638 607 2HB HIS 74 HB1 HIS 74 -15.947 7.027 -9.912 608 HD1 HIS 74 HD1 HIS 74 -13.993 5.799 -10.936 609 HD2 HIS 74 HD2 HIS 74 -12.829 8.827 -8.327 610 HE1 HIS 74 HE1 HIS 74 -11.515 5.514 -10.628 611 HE2 HIS 74 HE2 HIS 74 -10.871 7.231 -8.900 612 H HIS 75 HN HIS 75 -16.625 9.820 -12.751 613 HA HIS 75 HA HIS 75 -19.355 8.985 -12.113 614 1HB HIS 75 HB2 HIS 75 -19.266 11.367 -11.604 615 2HB HIS 75 HB1 HIS 75 -18.519 11.701 -13.161 616 HD1 HIS 75 HD1 HIS 75 -20.042 11.981 -15.159 617 HD2 HIS 75 HD2 HIS 75 -22.043 10.697 -11.745 618 HE1 HIS 75 HE1 HIS 75 -22.495 12.172 -15.697 619 HE2 HIS 75 HE2 HIS 75 -23.684 11.518 -13.567 620 H HIS 76 HN HIS 76 -20.300 7.963 -13.779 621 HA HIS 76 HA HIS 76 -19.079 8.228 -16.432 622 1HB HIS 76 HB2 HIS 76 -18.276 6.179 -15.044 623 2HB HIS 76 HB1 HIS 76 -19.879 5.529 -15.378 624 HD1 HIS 76 HD1 HIS 76 -16.574 6.170 -16.917 625 HD2 HIS 76 HD2 HIS 76 -20.356 4.918 -18.117 626 HE1 HIS 76 HE1 HIS 76 -16.280 5.250 -19.238 627 HE2 HIS 76 HE2 HIS 76 -18.600 4.625 -20.000 628 1H MET 1 HT1 MET 1 13.668 23.060 18.345 629 2H MET 1 HT2 MET 1 13.344 21.595 19.134 630 3H MET 1 HT3 MET 1 12.995 23.064 19.902 631 HA MET 1 HA MET 1 10.977 22.103 19.113 632 1HB MET 1 HB2 MET 1 11.971 24.516 17.613 633 2HB MET 1 HB1 MET 1 10.330 23.919 17.410 634 1HG MET 1 HG2 MET 1 10.372 25.725 19.009 635 2HG MET 1 HG1 MET 1 9.933 24.217 19.806 636 1HE MET 1 HE1 MET 1 10.422 25.152 22.228 637 2HE MET 1 HE2 MET 1 10.733 26.717 21.477 638 3HE MET 1 HE3 MET 1 11.880 26.055 22.640 639 HA PRO 2 HA PRO 2 11.532 19.398 15.675 640 1HB PRO 2 HB2 PRO 2 8.991 18.486 15.491 641 2HB PRO 2 HB1 PRO 2 10.095 17.984 16.774 642 1HG PRO 2 HG2 PRO 2 7.901 20.014 16.848 643 2HG PRO 2 HG1 PRO 2 8.353 18.808 18.066 644 1HD PRO 2 HD2 PRO 2 9.060 21.436 18.223 645 2HD PRO 2 HD1 PRO 2 10.026 20.123 18.923 646 H ILE 3 HN ILE 3 11.802 20.121 13.682 647 HA ILE 3 HA ILE 3 9.714 21.717 12.386 648 HB ILE 3 HB ILE 3 11.393 22.089 10.599 649 1HG1 ILE 3 HG12 ILE 3 13.266 20.574 12.436 650 2HG1 ILE 3 HG11 ILE 3 12.635 19.964 10.910 651 1HG2 ILE 3 HG21 ILE 3 12.890 23.537 11.899 652 2HG2 ILE 3 HG22 ILE 3 12.358 22.743 13.382 653 3HG2 ILE 3 HG23 ILE 3 11.213 23.684 12.427 654 1HD1 ILE 3 HD11 ILE 3 13.788 21.767 9.725 655 2HD1 ILE 3 HD12 ILE 3 14.905 20.766 10.655 656 3HD1 ILE 3 HD13 ILE 3 14.431 22.354 11.259 657 H VAL 4 HN VAL 4 10.035 21.058 9.747 658 HA VAL 4 HA VAL 4 8.654 18.599 9.522 659 HB VAL 4 HB VAL 4 10.099 20.110 7.331 660 1HG1 VAL 4 HG11 VAL 4 7.879 18.073 7.208 661 2HG1 VAL 4 HG12 VAL 4 9.545 17.845 6.675 662 3HG1 VAL 4 HG13 VAL 4 8.499 18.991 5.837 663 1HG2 VAL 4 HG21 VAL 4 7.938 21.154 6.862 664 2HG2 VAL 4 HG22 VAL 4 8.498 21.543 8.488 665 3HG2 VAL 4 HG23 VAL 4 7.234 20.335 8.256 666 H SER 5 HN SER 5 9.583 16.738 10.044 667 HA SER 5 HA SER 5 12.341 16.242 9.122 668 1HB SER 5 HB2 SER 5 11.131 15.228 11.705 669 2HB SER 5 HB1 SER 5 12.816 15.113 11.194 670 HG SER 5 HG SER 5 11.459 17.574 11.579 671 H LYS 6 HN LYS 6 12.541 13.607 9.924 672 HA LYS 6 HA LYS 6 10.702 12.287 8.071 673 1HB LYS 6 HB2 LYS 6 13.214 12.037 7.895 674 2HB LYS 6 HB1 LYS 6 13.166 11.152 9.411 675 1HG LYS 6 HG2 LYS 6 11.684 9.485 8.352 676 2HG LYS 6 HG1 LYS 6 11.842 10.355 6.825 677 1HD LYS 6 HD2 LYS 6 14.263 9.988 6.871 678 2HD LYS 6 HD1 LYS 6 14.099 9.113 8.393 679 1HE LYS 6 HE2 LYS 6 12.899 8.324 5.742 680 2HE LYS 6 HE1 LYS 6 14.291 7.571 6.522 681 1HZ LYS 6 HZ1 LYS 6 11.533 7.636 7.618 682 2HZ LYS 6 HZ2 LYS 6 12.870 6.890 8.348 683 3HZ LYS 6 HZ3 LYS 6 12.264 6.304 6.880 684 H TYR 7 HN TYR 7 10.197 13.164 10.939 685 HA TYR 7 HA TYR 7 9.132 12.474 12.815 686 1HB TYR 7 HB2 TYR 7 8.422 10.127 11.045 687 2HB TYR 7 HB1 TYR 7 7.777 10.349 12.665 688 HD1 TYR 7 HD2 TYR 7 7.718 11.562 9.210 689 HD2 TYR 7 HD1 TYR 7 6.121 12.052 13.123 690 HE1 TYR 7 HE2 TYR 7 5.902 12.929 8.292 691 HE2 TYR 7 HE1 TYR 7 4.299 13.422 12.213 692 HH TYR 7 HH TYR 7 3.760 14.746 10.299 693 H SER 8 HN SER 8 8.838 10.090 14.101 694 HA SER 8 HA SER 8 11.605 9.283 14.590 695 1HB SER 8 HB2 SER 8 9.098 8.630 16.159 696 2HB SER 8 HB1 SER 8 10.759 8.316 16.662 697 HG SER 8 HG SER 8 10.929 10.764 16.284 698 H ASN 9 HN ASN 9 12.335 7.481 13.661 699 HA ASN 9 HA ASN 9 10.754 6.008 11.869 700 1HB ASN 9 HB2 ASN 9 13.461 5.376 13.055 701 2HB ASN 9 HB1 ASN 9 12.719 4.445 11.758 702 1HD2 ASN 9 HD21 ASN 9 14.243 7.428 12.643 703 2HD2 ASN 9 HD22 ASN 9 14.473 8.026 11.034 704 H GLU 10 HN GLU 10 11.474 5.496 15.236 705 HA GLU 10 HA GLU 10 10.631 2.873 15.586 706 1HB GLU 10 HB2 GLU 10 11.550 4.113 17.435 707 2HB GLU 10 HB1 GLU 10 10.250 5.295 17.353 708 1HG GLU 10 HG2 GLU 10 8.666 3.406 17.888 709 2HG GLU 10 HG1 GLU 10 10.093 2.433 18.242 710 H ARG 11 HN ARG 11 8.667 5.843 15.784 711 HA ARG 11 HA ARG 11 6.204 4.440 15.966 712 1HB ARG 11 HB2 ARG 11 6.325 6.665 16.881 713 2HB ARG 11 HB1 ARG 11 6.801 7.334 15.323 714 1HG ARG 11 HG2 ARG 11 4.667 6.967 14.402 715 2HG ARG 11 HG1 ARG 11 4.171 5.950 15.756 716 1HD ARG 11 HD2 ARG 11 4.422 7.971 17.221 717 2HD ARG 11 HD1 ARG 11 4.647 8.920 15.751 718 HE ARG 11 HE ARG 11 2.278 7.384 15.524 719 1HH1 ARG 11 HH11 ARG 11 3.568 10.156 17.237 720 2HH1 ARG 11 HH12 ARG 11 2.021 10.902 17.481 721 1HH2 ARG 11 HH21 ARG 11 0.242 8.315 15.880 722 2HH2 ARG 11 HH22 ARG 11 0.107 9.838 16.712 723 H VAL 12 HN VAL 12 8.040 5.843 13.313 724 HA VAL 12 HA VAL 12 6.156 5.623 11.275 725 HB VAL 12 HB VAL 12 9.153 5.225 11.155 726 1HG1 VAL 12 HG11 VAL 12 7.214 5.624 8.876 727 2HG1 VAL 12 HG12 VAL 12 8.089 4.136 9.239 728 3HG1 VAL 12 HG13 VAL 12 8.972 5.581 8.744 729 1HG2 VAL 12 HG21 VAL 12 9.145 7.517 10.264 730 2HG2 VAL 12 HG22 VAL 12 8.464 7.443 11.888 731 3HG2 VAL 12 HG23 VAL 12 7.397 7.595 10.491 732 H GLU 13 HN GLU 13 8.433 3.190 12.524 733 HA GLU 13 HA GLU 13 7.467 1.110 10.835 734 1HB GLU 13 HB2 GLU 13 9.715 1.007 11.781 735 2HB GLU 13 HB1 GLU 13 9.046 0.953 13.407 736 1HG GLU 13 HG2 GLU 13 8.096 -1.201 13.022 737 2HG GLU 13 HG1 GLU 13 8.512 -1.134 11.311 738 H LYS 14 HN LYS 14 6.630 2.257 14.061 739 HA LYS 14 HA LYS 14 4.942 0.202 14.891 740 1HB LYS 14 HB2 LYS 14 5.576 2.193 16.269 741 2HB LYS 14 HB1 LYS 14 4.489 3.172 15.301 742 1HG LYS 14 HG2 LYS 14 3.476 0.774 16.784 743 2HG LYS 14 HG1 LYS 14 3.702 2.317 17.605 744 1HD LYS 14 HD2 LYS 14 2.198 3.374 15.940 745 2HD LYS 14 HD1 LYS 14 1.930 1.786 15.215 746 1HE LYS 14 HE2 LYS 14 1.005 0.976 17.332 747 2HE LYS 14 HE1 LYS 14 1.291 2.551 18.066 748 1HZ LYS 14 HZ1 LYS 14 -0.974 2.453 17.449 749 2HZ LYS 14 HZ2 LYS 14 -0.621 1.894 15.891 750 3HZ LYS 14 HZ3 LYS 14 -0.227 3.489 16.332 751 H ILE 15 HN ILE 15 4.267 3.009 12.840 752 HA ILE 15 HA ILE 15 1.557 2.505 12.345 753 HB ILE 15 HB ILE 15 3.550 3.751 10.443 754 1HG1 ILE 15 HG12 ILE 15 1.808 5.099 12.516 755 2HG1 ILE 15 HG11 ILE 15 3.523 4.771 12.727 756 1HG2 ILE 15 HG21 ILE 15 0.558 4.071 10.645 757 2HG2 ILE 15 HG22 ILE 15 1.410 3.151 9.407 758 3HG2 ILE 15 HG23 ILE 15 1.618 4.900 9.505 759 1HD1 ILE 15 HD11 ILE 15 2.321 6.530 10.606 760 2HD1 ILE 15 HD12 ILE 15 4.041 6.224 10.849 761 3HD1 ILE 15 HD13 ILE 15 3.113 7.079 12.083 762 H ILE 16 HN ILE 16 4.449 1.517 10.542 763 HA ILE 16 HA ILE 16 3.209 0.069 8.502 764 HB ILE 16 HB ILE 16 5.860 -0.570 9.815 765 1HG1 ILE 16 HG12 ILE 16 5.293 1.208 7.432 766 2HG1 ILE 16 HG11 ILE 16 5.641 1.796 9.055 767 1HG2 ILE 16 HG21 ILE 16 6.429 -1.529 7.611 768 2HG2 ILE 16 HG22 ILE 16 4.772 -1.241 7.081 769 3HG2 ILE 16 HG23 ILE 16 5.094 -2.371 8.396 770 1HD1 ILE 16 HD11 ILE 16 7.849 0.753 8.951 771 2HD1 ILE 16 HD12 ILE 16 7.605 1.917 7.648 772 3HD1 ILE 16 HD13 ILE 16 7.498 0.187 7.318 773 H GLN 17 HN GLN 17 4.412 -1.023 11.653 774 HA GLN 17 HA GLN 17 3.680 -3.730 11.344 775 1HB GLN 17 HB2 GLN 17 5.340 -2.925 12.989 776 2HB GLN 17 HB1 GLN 17 4.053 -2.140 13.892 777 1HG GLN 17 HG2 GLN 17 4.672 -4.225 14.940 778 2HG GLN 17 HG1 GLN 17 3.025 -4.318 14.315 779 1HE2 GLN 17 HE21 GLN 17 2.579 -5.638 12.571 780 2HE2 GLN 17 HE22 GLN 17 3.674 -6.868 12.039 781 H ASP 18 HN ASP 18 1.976 -0.925 12.608 782 HA ASP 18 HA ASP 18 -0.220 -2.323 13.733 783 1HB ASP 18 HB2 ASP 18 0.541 0.164 14.016 784 2HB ASP 18 HB1 ASP 18 -0.455 0.449 12.595 785 H LEU 19 HN LEU 19 0.345 -0.827 10.572 786 HA LEU 19 HA LEU 19 -2.158 -1.428 9.434 787 1HB LEU 19 HB2 LEU 19 0.545 -1.137 8.118 788 2HB LEU 19 HB1 LEU 19 -0.979 -1.196 7.254 789 HG LEU 19 HG LEU 19 -0.215 0.934 9.255 790 1HD1 LEU 19 HD11 LEU 19 -0.284 1.002 6.242 791 2HD1 LEU 19 HD12 LEU 19 1.157 1.072 7.257 792 3HD1 LEU 19 HD13 LEU 19 -0.015 2.391 7.295 793 1HD2 LEU 19 HD21 LEU 19 -2.191 2.100 8.381 794 2HD2 LEU 19 HD22 LEU 19 -2.617 0.569 9.145 795 3HD2 LEU 19 HD23 LEU 19 -2.572 0.694 7.387 796 H LEU 20 HN LEU 20 0.898 -3.233 9.465 797 HA LEU 20 HA LEU 20 -0.026 -5.468 7.998 798 1HB LEU 20 HB2 LEU 20 2.145 -5.258 10.088 799 2HB LEU 20 HB1 LEU 20 1.879 -6.667 9.078 800 HG LEU 20 HG LEU 20 2.615 -3.921 8.058 801 1HD1 LEU 20 HD11 LEU 20 4.793 -4.946 7.562 802 2HD1 LEU 20 HD12 LEU 20 4.279 -6.413 8.397 803 3HD1 LEU 20 HD13 LEU 20 4.453 -4.901 9.291 804 1HD2 LEU 20 HD21 LEU 20 1.310 -5.200 6.451 805 2HD2 LEU 20 HD22 LEU 20 2.393 -6.578 6.646 806 3HD2 LEU 20 HD23 LEU 20 2.991 -5.080 5.933 807 H ASP 21 HN ASP 21 -0.279 -4.527 11.337 808 HA ASP 21 HA ASP 21 -1.102 -7.038 12.382 809 1HB ASP 21 HB2 ASP 21 -0.269 -4.875 13.602 810 2HB ASP 21 HB1 ASP 21 -1.971 -4.424 13.565 811 H VAL 22 HN VAL 22 -2.791 -4.237 11.065 812 HA VAL 22 HA VAL 22 -5.419 -5.216 11.445 813 HB VAL 22 HB VAL 22 -4.363 -3.309 9.351 814 1HG1 VAL 22 HG11 VAL 22 -7.215 -3.808 10.209 815 2HG1 VAL 22 HG12 VAL 22 -6.503 -4.306 8.675 816 3HG1 VAL 22 HG13 VAL 22 -6.675 -2.592 9.051 817 1HG2 VAL 22 HG21 VAL 22 -5.723 -2.792 11.992 818 2HG2 VAL 22 HG22 VAL 22 -5.248 -1.563 10.819 819 3HG2 VAL 22 HG23 VAL 22 -4.017 -2.529 11.632 820 H LEU 23 HN LEU 23 -3.053 -5.576 8.870 821 HA LEU 23 HA LEU 23 -4.706 -6.896 7.025 822 1HB LEU 23 HB2 LEU 23 -1.722 -7.104 7.435 823 2HB LEU 23 HB1 LEU 23 -2.582 -7.733 6.043 824 HG LEU 23 HG LEU 23 -2.358 -4.826 6.831 825 1HD1 LEU 23 HD11 LEU 23 -0.303 -5.710 5.893 826 2HD1 LEU 23 HD12 LEU 23 -1.086 -4.623 4.744 827 3HD1 LEU 23 HD13 LEU 23 -1.192 -6.369 4.521 828 1HD2 LEU 23 HD21 LEU 23 -4.535 -5.307 5.835 829 2HD2 LEU 23 HD22 LEU 23 -3.742 -6.084 4.464 830 3HD2 LEU 23 HD23 LEU 23 -3.531 -4.355 4.743 831 H VAL 24 HN VAL 24 -2.807 -8.108 9.755 832 HA VAL 24 HA VAL 24 -3.551 -10.837 9.139 833 HB VAL 24 HB VAL 24 -1.345 -10.279 10.190 834 1HG1 VAL 24 HG11 VAL 24 -1.242 -9.913 12.598 835 2HG1 VAL 24 HG12 VAL 24 -3.002 -9.818 12.661 836 3HG1 VAL 24 HG13 VAL 24 -2.084 -8.597 11.780 837 1HG2 VAL 24 HG21 VAL 24 -2.154 -12.545 10.219 838 2HG2 VAL 24 HG22 VAL 24 -3.126 -12.217 11.653 839 3HG2 VAL 24 HG23 VAL 24 -1.365 -12.189 11.755 840 H LYS 25 HN LYS 25 -4.756 -8.215 11.093 841 HA LYS 25 HA LYS 25 -6.496 -9.554 12.806 842 1HB LYS 25 HB2 LYS 25 -6.655 -6.915 11.394 843 2HB LYS 25 HB1 LYS 25 -8.057 -7.503 12.274 844 1HG LYS 25 HG2 LYS 25 -6.750 -7.597 14.316 845 2HG LYS 25 HG1 LYS 25 -5.317 -7.065 13.437 846 1HD LYS 25 HD2 LYS 25 -6.308 -5.197 14.631 847 2HD LYS 25 HD1 LYS 25 -6.456 -4.949 12.897 848 1HE LYS 25 HE2 LYS 25 -8.716 -6.264 14.303 849 2HE LYS 25 HE1 LYS 25 -8.473 -4.542 14.576 850 1HZ LYS 25 HZ1 LYS 25 -8.564 -4.213 12.154 851 2HZ LYS 25 HZ2 LYS 25 -9.996 -4.866 12.778 852 3HZ LYS 25 HZ3 LYS 25 -8.911 -5.867 11.944 853 H GLU 26 HN GLU 26 -7.057 -8.514 9.459 854 HA GLU 26 HA GLU 26 -9.631 -9.863 9.438 855 1HB GLU 26 HB2 GLU 26 -8.334 -8.493 7.096 856 2HB GLU 26 HB1 GLU 26 -10.045 -8.745 7.403 857 1HG GLU 26 HG2 GLU 26 -8.198 -6.838 8.808 858 2HG GLU 26 HG1 GLU 26 -9.543 -6.440 7.742 859 H GLU 27 HN GLU 27 -6.501 -10.742 8.916 860 HA GLU 27 HA GLU 27 -5.339 -12.240 7.696 861 1HB GLU 27 HB2 GLU 27 -7.979 -13.702 7.798 862 2HB GLU 27 HB1 GLU 27 -6.479 -14.412 7.217 863 1HG GLU 27 HG2 GLU 27 -5.549 -13.682 9.530 864 2HG GLU 27 HG1 GLU 27 -7.253 -13.630 9.986 865 H VAL 28 HN VAL 28 -5.388 -10.473 6.071 866 HA VAL 28 HA VAL 28 -7.028 -10.911 3.741 867 HB VAL 28 HB VAL 28 -5.836 -9.021 2.750 868 1HG1 VAL 28 HG11 VAL 28 -6.465 -7.291 4.384 869 2HG1 VAL 28 HG12 VAL 28 -6.648 -8.541 5.615 870 3HG1 VAL 28 HG13 VAL 28 -7.707 -8.530 4.206 871 1HG2 VAL 28 HG21 VAL 28 -4.134 -9.095 5.241 872 2HG2 VAL 28 HG22 VAL 28 -4.124 -7.806 4.038 873 3HG2 VAL 28 HG23 VAL 28 -3.601 -9.430 3.593 874 H THR 29 HN THR 29 -6.476 -11.889 1.876 875 HA THR 29 HA THR 29 -4.009 -13.386 1.733 876 HB THR 29 HB THR 29 -4.934 -14.140 -0.477 877 HG1 THR 29 HG1 THR 29 -6.969 -13.446 -1.085 878 1HG2 THR 29 HG21 THR 29 -6.830 -14.396 1.864 879 2HG2 THR 29 HG22 THR 29 -5.406 -15.398 1.578 880 3HG2 THR 29 HG23 THR 29 -6.769 -15.460 0.460 881 HA PRO 30 HA PRO 30 -1.496 -10.733 -0.834 882 1HB PRO 30 HB2 PRO 30 -1.920 -12.609 -3.123 883 2HB PRO 30 HB1 PRO 30 -0.416 -11.919 -2.497 884 1HG PRO 30 HG2 PRO 30 -1.074 -14.440 -1.957 885 2HG PRO 30 HG1 PRO 30 -0.310 -13.416 -0.726 886 1HD PRO 30 HD2 PRO 30 -3.144 -14.302 -0.964 887 2HD PRO 30 HD1 PRO 30 -2.177 -13.985 0.491 888 H ASP 31 HN ASP 31 -4.162 -12.132 -2.741 889 HA ASP 31 HA ASP 31 -4.530 -9.990 -4.505 890 1HB ASP 31 HB2 ASP 31 -5.538 -12.090 -5.025 891 2HB ASP 31 HB1 ASP 31 -6.417 -12.122 -3.502 892 H LEU 32 HN LEU 32 -6.275 -10.766 -1.506 893 HA LEU 32 HA LEU 32 -7.976 -8.532 -1.524 894 1HB LEU 32 HB2 LEU 32 -8.399 -10.517 -0.169 895 2HB LEU 32 HB1 LEU 32 -6.969 -10.191 0.790 896 HG LEU 32 HG LEU 32 -8.005 -8.135 1.644 897 1HD1 LEU 32 HD11 LEU 32 -9.429 -7.619 -0.267 898 2HD1 LEU 32 HD12 LEU 32 -10.363 -7.682 1.226 899 3HD1 LEU 32 HD13 LEU 32 -10.428 -9.029 0.089 900 1HD2 LEU 32 HD21 LEU 32 -8.257 -10.182 2.905 901 2HD2 LEU 32 HD22 LEU 32 -9.677 -10.623 1.955 902 3HD2 LEU 32 HD23 LEU 32 -9.730 -9.219 3.021 903 H ALA 33 HN ALA 33 -4.796 -9.056 -0.086 904 HA ALA 33 HA ALA 33 -4.647 -6.709 1.435 905 1HB ALA 33 HB1 ALA 33 -2.243 -7.077 1.468 906 2HB ALA 33 HB2 ALA 33 -2.388 -8.229 0.139 907 3HB ALA 33 HB3 ALA 33 -3.112 -8.593 1.706 908 H LEU 34 HN LEU 34 -3.427 -7.356 -1.856 909 HA LEU 34 HA LEU 34 -2.344 -4.796 -2.266 910 1HB LEU 34 HB2 LEU 34 -3.390 -6.774 -4.291 911 2HB LEU 34 HB1 LEU 34 -2.411 -5.370 -4.672 912 HG LEU 34 HG LEU 34 -1.536 -7.730 -3.004 913 1HD1 LEU 34 HD11 LEU 34 -0.772 -6.872 -5.791 914 2HD1 LEU 34 HD12 LEU 34 -1.739 -8.283 -5.360 915 3HD1 LEU 34 HD13 LEU 34 -0.042 -8.201 -4.889 916 1HD2 LEU 34 HD21 LEU 34 -0.476 -5.683 -2.242 917 2HD2 LEU 34 HD22 LEU 34 -0.019 -5.279 -3.895 918 3HD2 LEU 34 HD23 LEU 34 0.689 -6.688 -3.105 919 H MET 35 HN MET 35 -5.559 -6.103 -2.893 920 HA MET 35 HA MET 35 -6.558 -3.869 -4.324 921 1HB MET 35 HB2 MET 35 -7.631 -6.072 -4.406 922 2HB MET 35 HB1 MET 35 -8.045 -5.946 -2.704 923 1HG MET 35 HG2 MET 35 -9.569 -4.161 -3.134 924 2HG MET 35 HG1 MET 35 -9.032 -4.038 -4.808 925 1HE MET 35 HE1 MET 35 -9.597 -7.384 -2.836 926 2HE MET 35 HE2 MET 35 -11.295 -7.716 -3.176 927 3HE MET 35 HE3 MET 35 -10.850 -6.338 -2.170 928 H CYS 36 HN CYS 36 -6.331 -4.586 -0.895 929 HA CYS 36 HA CYS 36 -7.952 -2.308 -0.160 930 1HB CYS 36 HB2 CYS 36 -6.225 -4.111 1.553 931 2HB CYS 36 HB1 CYS 36 -7.374 -2.920 2.153 932 HG CYS 36 HG CYS 36 -8.051 -5.849 0.542 933 H LEU 37 HN LEU 37 -4.519 -3.196 -0.049 934 HA LEU 37 HA LEU 37 -3.622 -0.843 1.205 935 1HB LEU 37 HB2 LEU 37 -2.165 -2.782 -0.585 936 2HB LEU 37 HB1 LEU 37 -1.379 -1.490 0.303 937 HG LEU 37 HG LEU 37 -2.895 -3.791 1.547 938 1HD1 LEU 37 HD11 LEU 37 -0.709 -4.573 2.276 939 2HD1 LEU 37 HD12 LEU 37 0.067 -3.241 1.420 940 3HD1 LEU 37 HD13 LEU 37 -0.790 -4.489 0.515 941 1HD2 LEU 37 HD21 LEU 37 -1.258 -1.600 2.822 942 2HD2 LEU 37 HD22 LEU 37 -2.002 -2.963 3.658 943 3HD2 LEU 37 HD23 LEU 37 -3.015 -1.746 2.882 944 H GLY 38 HN GLY 38 -3.598 -1.745 -2.258 945 1HA GLY 38 HA2 GLY 38 -2.445 0.657 -3.178 946 2HA GLY 38 HA1 GLY 38 -3.415 -0.449 -4.143 947 H ASN 39 HN ASN 39 -5.718 -0.200 -2.389 948 HA ASN 39 HA ASN 39 -6.993 2.021 -3.618 949 1HB ASN 39 HB2 ASN 39 -7.990 -0.209 -2.767 950 2HB ASN 39 HB1 ASN 39 -8.015 0.568 -1.190 951 1HD2 ASN 39 HD21 ASN 39 -10.134 -0.395 -2.984 952 2HD2 ASN 39 HD22 ASN 39 -11.204 0.947 -3.197 953 H ALA 40 HN ALA 40 -5.919 1.321 -0.308 954 HA ALA 40 HA ALA 40 -6.606 3.801 0.830 955 1HB ALA 40 HB1 ALA 40 -6.090 1.837 2.180 956 2HB ALA 40 HB2 ALA 40 -5.056 3.194 2.628 957 3HB ALA 40 HB3 ALA 40 -4.415 1.887 1.632 958 H VAL 41 HN VAL 41 -3.645 2.676 -0.759 959 HA VAL 41 HA VAL 41 -2.045 4.930 -0.352 960 HB VAL 41 HB VAL 41 -2.119 3.142 -2.800 961 1HG1 VAL 41 HG11 VAL 41 0.029 5.017 -1.819 962 2HG1 VAL 41 HG12 VAL 41 -0.965 5.231 -3.260 963 3HG1 VAL 41 HG13 VAL 41 0.184 3.895 -3.172 964 1HG2 VAL 41 HG21 VAL 41 -0.411 3.001 -0.319 965 2HG2 VAL 41 HG22 VAL 41 -0.230 1.985 -1.748 966 3HG2 VAL 41 HG23 VAL 41 -1.693 1.877 -0.769 967 H THR 42 HN THR 42 -4.288 4.189 -3.007 968 HA THR 42 HA THR 42 -3.940 6.577 -4.444 969 HB THR 42 HB THR 42 -6.419 4.847 -4.304 970 HG1 THR 42 HG1 THR 42 -4.783 3.512 -4.956 971 1HG2 THR 42 HG21 THR 42 -6.821 5.685 -6.592 972 2HG2 THR 42 HG22 THR 42 -5.426 6.754 -6.431 973 3HG2 THR 42 HG23 THR 42 -6.836 6.982 -5.397 974 H ASN 43 HN ASN 43 -6.100 5.710 -1.808 975 HA ASN 43 HA ASN 43 -7.695 8.032 -1.803 976 1HB ASN 43 HB2 ASN 43 -8.355 6.015 -0.609 977 2HB ASN 43 HB1 ASN 43 -6.957 6.148 0.452 978 1HD2 ASN 43 HD21 ASN 43 -6.992 7.596 2.135 979 2HD2 ASN 43 HD22 ASN 43 -8.420 8.433 2.625 980 H ILE 44 HN ILE 44 -4.553 7.333 -0.401 981 HA ILE 44 HA ILE 44 -4.439 9.784 1.113 982 HB ILE 44 HB ILE 44 -2.256 7.813 0.403 983 1HG1 ILE 44 HG12 ILE 44 -3.968 6.841 1.842 984 2HG1 ILE 44 HG11 ILE 44 -2.483 7.094 2.755 985 1HG2 ILE 44 HG21 ILE 44 -1.335 10.033 0.837 986 2HG2 ILE 44 HG22 ILE 44 -0.917 8.906 2.127 987 3HG2 ILE 44 HG23 ILE 44 -2.195 10.095 2.374 988 1HD1 ILE 44 HD11 ILE 44 -4.437 7.687 4.064 989 2HD1 ILE 44 HD12 ILE 44 -4.929 8.850 2.833 990 3HD1 ILE 44 HD13 ILE 44 -3.444 9.110 3.748 991 H ILE 45 HN ILE 45 -3.017 8.565 -1.899 992 HA ILE 45 HA ILE 45 -1.452 10.830 -2.490 993 HB ILE 45 HB ILE 45 -2.615 8.754 -4.357 994 1HG1 ILE 45 HG12 ILE 45 0.098 9.008 -3.036 995 2HG1 ILE 45 HG11 ILE 45 -1.143 7.819 -2.647 996 1HG2 ILE 45 HG21 ILE 45 -0.880 9.449 -5.943 997 2HG2 ILE 45 HG22 ILE 45 -0.416 10.758 -4.854 998 3HG2 ILE 45 HG23 ILE 45 -2.014 10.753 -5.600 999 1HD1 ILE 45 HD11 ILE 45 -0.908 6.846 -4.865 1000 2HD1 ILE 45 HD12 ILE 45 0.627 6.850 -3.996 1001 3HD1 ILE 45 HD13 ILE 45 0.326 8.041 -5.263 1002 H ALA 46 HN ALA 46 -4.830 10.140 -2.988 1003 HA ALA 46 HA ALA 46 -5.371 12.175 -4.884 1004 1HB ALA 46 HB1 ALA 46 -7.234 10.918 -2.873 1005 2HB ALA 46 HB2 ALA 46 -6.886 10.294 -4.486 1006 3HB ALA 46 HB3 ALA 46 -7.710 11.841 -4.298 1007 H GLN 47 HN GLN 47 -4.544 12.353 -1.606 1008 HA GLN 47 HA GLN 47 -5.947 14.875 -1.155 1009 1HB GLN 47 HB2 GLN 47 -4.091 13.356 0.692 1010 2HB GLN 47 HB1 GLN 47 -5.132 14.705 1.131 1011 1HG GLN 47 HG2 GLN 47 -7.095 13.391 0.720 1012 2HG GLN 47 HG1 GLN 47 -6.123 12.059 0.103 1013 1HE2 GLN 47 HE21 GLN 47 -6.848 10.594 1.574 1014 2HE2 GLN 47 HE22 GLN 47 -6.441 10.658 3.254 1015 H VAL 48 HN VAL 48 -3.201 13.890 -2.626 1016 HA VAL 48 HA VAL 48 -1.548 16.160 -1.779 1017 HB VAL 48 HB VAL 48 -0.882 13.913 -3.700 1018 1HG1 VAL 48 HG11 VAL 48 0.485 15.927 -3.997 1019 2HG1 VAL 48 HG12 VAL 48 1.434 14.574 -3.383 1020 3HG1 VAL 48 HG13 VAL 48 0.936 15.868 -2.292 1021 1HG2 VAL 48 HG21 VAL 48 -1.342 13.032 -1.476 1022 2HG2 VAL 48 HG22 VAL 48 -0.196 14.174 -0.773 1023 3HG2 VAL 48 HG23 VAL 48 0.375 12.908 -1.861 1024 HA PRO 49 HA PRO 49 -2.902 18.772 -5.169 1025 1HB PRO 49 HB2 PRO 49 0.012 19.442 -5.182 1026 2HB PRO 49 HB1 PRO 49 -1.389 20.520 -5.219 1027 1HG PRO 49 HG2 PRO 49 -0.019 20.169 -2.968 1028 2HG PRO 49 HG1 PRO 49 -1.787 20.296 -2.944 1029 1HD PRO 49 HD2 PRO 49 -0.056 17.903 -2.598 1030 2HD PRO 49 HD1 PRO 49 -1.642 18.261 -1.888 1031 H GLU 50 HN GLU 50 -2.990 18.539 -7.359 1032 HA GLU 50 HA GLU 50 -2.199 16.071 -8.386 1033 1HB GLU 50 HB2 GLU 50 -3.081 18.486 -9.962 1034 2HB GLU 50 HB1 GLU 50 -3.118 16.814 -10.507 1035 1HG GLU 50 HG2 GLU 50 -4.625 16.398 -8.483 1036 2HG GLU 50 HG1 GLU 50 -4.808 18.150 -8.438 1037 H SER 51 HN SER 51 -0.659 19.221 -8.708 1038 HA SER 51 HA SER 51 0.986 18.631 -10.905 1039 1HB SER 51 HB2 SER 51 1.500 20.544 -8.618 1040 2HB SER 51 HB1 SER 51 2.317 20.568 -10.182 1041 HG SER 51 HG SER 51 -0.241 20.561 -10.740 1042 H LYS 52 HN LYS 52 1.284 17.764 -7.539 1043 HA LYS 52 HA LYS 52 3.871 16.509 -8.183 1044 1HB LYS 52 HB2 LYS 52 4.431 16.617 -5.797 1045 2HB LYS 52 HB1 LYS 52 4.144 18.214 -6.470 1046 1HG LYS 52 HG2 LYS 52 1.862 18.156 -5.501 1047 2HG LYS 52 HG1 LYS 52 2.270 16.619 -4.735 1048 1HD LYS 52 HD2 LYS 52 3.662 19.261 -4.289 1049 2HD LYS 52 HD1 LYS 52 2.552 18.468 -3.170 1050 1HE LYS 52 HE2 LYS 52 4.079 16.642 -2.857 1051 2HE LYS 52 HE1 LYS 52 5.144 17.256 -4.121 1052 1HZ LYS 52 HZ1 LYS 52 6.041 17.820 -1.990 1053 2HZ LYS 52 HZ2 LYS 52 4.586 18.534 -1.498 1054 3HZ LYS 52 HZ3 LYS 52 5.504 19.244 -2.735 1055 H ARG 53 HN ARG 53 0.678 15.910 -7.716 1056 HA ARG 53 HA ARG 53 0.639 13.575 -6.146 1057 1HB ARG 53 HB2 ARG 53 -1.379 14.828 -6.723 1058 2HB ARG 53 HB1 ARG 53 -1.154 14.438 -8.420 1059 1HG ARG 53 HG2 ARG 53 -1.496 12.073 -7.925 1060 2HG ARG 53 HG1 ARG 53 -1.730 12.470 -6.222 1061 1HD ARG 53 HD2 ARG 53 -3.424 13.475 -8.504 1062 2HD ARG 53 HD1 ARG 53 -3.861 12.165 -7.405 1063 HE ARG 53 HE ARG 53 -3.352 14.242 -5.738 1064 1HH1 ARG 53 HH11 ARG 53 -5.396 13.874 -8.551 1065 2HH1 ARG 53 HH12 ARG 53 -6.558 15.048 -8.024 1066 1HH2 ARG 53 HH21 ARG 53 -4.871 15.765 -5.025 1067 2HH2 ARG 53 HH22 ARG 53 -6.269 16.125 -6.000 1068 H VAL 54 HN VAL 54 1.068 14.103 -9.608 1069 HA VAL 54 HA VAL 54 1.134 11.381 -10.369 1070 HB VAL 54 HB VAL 54 2.535 13.677 -11.755 1071 1HG1 VAL 54 HG11 VAL 54 1.483 11.042 -12.771 1072 2HG1 VAL 54 HG12 VAL 54 3.173 11.530 -12.639 1073 3HG1 VAL 54 HG13 VAL 54 2.108 12.340 -13.788 1074 1HG2 VAL 54 HG21 VAL 54 -0.328 12.764 -12.029 1075 2HG2 VAL 54 HG22 VAL 54 0.470 13.963 -13.047 1076 3HG2 VAL 54 HG23 VAL 54 0.222 14.288 -11.332 1077 H ALA 55 HN ALA 55 3.532 13.574 -9.102 1078 HA ALA 55 HA ALA 55 5.803 11.989 -9.781 1079 1HB ALA 55 HB1 ALA 55 5.557 14.182 -7.725 1080 2HB ALA 55 HB2 ALA 55 5.948 14.414 -9.429 1081 3HB ALA 55 HB3 ALA 55 7.057 13.528 -8.383 1082 H VAL 56 HN VAL 56 3.923 12.462 -6.784 1083 HA VAL 56 HA VAL 56 5.609 10.827 -5.198 1084 HB VAL 56 HB VAL 56 3.800 10.810 -3.526 1085 1HG1 VAL 56 HG11 VAL 56 4.347 13.502 -4.767 1086 2HG1 VAL 56 HG12 VAL 56 5.349 12.669 -3.579 1087 3HG1 VAL 56 HG13 VAL 56 3.740 13.237 -3.133 1088 1HG2 VAL 56 HG21 VAL 56 1.866 10.696 -5.003 1089 2HG2 VAL 56 HG22 VAL 56 2.210 12.321 -5.595 1090 3HG2 VAL 56 HG23 VAL 56 1.743 12.076 -3.912 1091 H VAL 57 HN VAL 57 2.708 10.085 -7.110 1092 HA VAL 57 HA VAL 57 2.518 7.419 -6.120 1093 HB VAL 57 HB VAL 57 0.561 8.464 -7.136 1094 1HG1 VAL 57 HG11 VAL 57 0.385 8.745 -9.563 1095 2HG1 VAL 57 HG12 VAL 57 2.088 8.321 -9.729 1096 3HG1 VAL 57 HG13 VAL 57 1.625 9.788 -8.867 1097 1HG2 VAL 57 HG21 VAL 57 -0.153 6.591 -8.553 1098 2HG2 VAL 57 HG22 VAL 57 0.681 6.041 -7.100 1099 3HG2 VAL 57 HG23 VAL 57 1.519 6.040 -8.652 1100 H ASP 58 HN ASP 58 4.180 8.908 -8.866 1101 HA ASP 58 HA ASP 58 5.028 6.466 -10.042 1102 1HB ASP 58 HB2 ASP 58 5.092 8.655 -11.232 1103 2HB ASP 58 HB1 ASP 58 6.418 9.146 -10.181 1104 H ASN 59 HN ASN 59 6.611 8.736 -7.814 1105 HA ASN 59 HA ASN 59 8.965 7.332 -7.345 1106 1HB ASN 59 HB2 ASN 59 8.787 9.504 -6.434 1107 2HB ASN 59 HB1 ASN 59 7.300 9.115 -5.585 1108 1HD2 ASN 59 HD21 ASN 59 7.388 8.208 -3.587 1109 2HD2 ASN 59 HD22 ASN 59 8.860 7.940 -2.724 1110 H PHE 60 HN PHE 60 5.780 6.957 -5.864 1111 HA PHE 60 HA PHE 60 6.451 5.004 -3.963 1112 1HB PHE 60 HB2 PHE 60 4.280 6.296 -4.124 1113 2HB PHE 60 HB1 PHE 60 3.824 5.217 -5.438 1114 HD1 PHE 60 HD1 PHE 60 4.823 5.226 -1.862 1115 HD2 PHE 60 HD2 PHE 60 2.778 3.202 -4.994 1116 HE1 PHE 60 HE1 PHE 60 3.917 3.626 -0.230 1117 HE2 PHE 60 HE2 PHE 60 1.868 1.595 -3.365 1118 HZ PHE 60 HZ PHE 60 2.434 1.809 -0.979 1119 H THR 61 HN THR 61 5.154 4.673 -7.259 1120 HA THR 61 HA THR 61 5.165 1.861 -7.274 1121 HB THR 61 HB THR 61 4.993 2.062 -9.749 1122 HG1 THR 61 HG1 THR 61 5.930 4.584 -9.216 1123 1HG2 THR 61 HG21 THR 61 2.834 3.265 -9.743 1124 2HG2 THR 61 HG22 THR 61 3.203 3.879 -8.131 1125 3HG2 THR 61 HG23 THR 61 2.989 2.145 -8.386 1126 H LYS 62 HN LYS 62 7.614 4.225 -8.251 1127 HA LYS 62 HA LYS 62 9.430 2.334 -9.339 1128 1HB LYS 62 HB2 LYS 62 9.469 4.826 -9.717 1129 2HB LYS 62 HB1 LYS 62 10.105 4.999 -8.088 1130 1HG LYS 62 HG2 LYS 62 12.065 3.696 -8.691 1131 2HG LYS 62 HG1 LYS 62 11.428 3.471 -10.321 1132 1HD LYS 62 HD2 LYS 62 11.450 5.941 -10.610 1133 2HD LYS 62 HD1 LYS 62 12.217 6.077 -9.026 1134 1HE LYS 62 HE2 LYS 62 14.115 4.776 -9.814 1135 2HE LYS 62 HE1 LYS 62 13.345 4.575 -11.388 1136 1HZ LYS 62 HZ1 LYS 62 14.936 6.327 -11.532 1137 2HZ LYS 62 HZ2 LYS 62 14.293 7.113 -10.175 1138 3HZ LYS 62 HZ3 LYS 62 13.391 7.027 -11.608 1139 H ALA 63 HN ALA 63 9.134 3.849 -6.129 1140 HA ALA 63 HA ALA 63 11.305 2.583 -4.898 1141 1HB ALA 63 HB1 ALA 63 10.213 3.070 -2.788 1142 2HB ALA 63 HB2 ALA 63 8.683 3.344 -3.621 1143 3HB ALA 63 HB3 ALA 63 10.042 4.435 -3.892 1144 H LEU 64 HN LEU 64 7.952 1.496 -5.287 1145 HA LEU 64 HA LEU 64 8.052 -0.831 -3.766 1146 1HB LEU 64 HB2 LEU 64 6.477 -0.078 -6.207 1147 2HB LEU 64 HB1 LEU 64 6.318 -1.668 -5.489 1148 HG LEU 64 HG LEU 64 5.808 0.909 -4.012 1149 1HD1 LEU 64 HD11 LEU 64 3.858 -1.011 -5.279 1150 2HD1 LEU 64 HD12 LEU 64 4.211 0.626 -5.835 1151 3HD1 LEU 64 HD13 LEU 64 3.439 0.373 -4.269 1152 1HD2 LEU 64 HD21 LEU 64 5.247 -1.980 -3.337 1153 2HD2 LEU 64 HD22 LEU 64 4.699 -0.590 -2.397 1154 3HD2 LEU 64 HD23 LEU 64 6.423 -0.924 -2.552 1155 H LYS 65 HN LYS 65 8.628 -0.511 -7.271 1156 HA LYS 65 HA LYS 65 9.225 -3.156 -7.824 1157 1HB LYS 65 HB2 LYS 65 10.258 -0.607 -9.068 1158 2HB LYS 65 HB1 LYS 65 10.600 -2.201 -9.730 1159 1HG LYS 65 HG2 LYS 65 8.328 -2.600 -10.216 1160 2HG LYS 65 HG1 LYS 65 7.802 -1.221 -9.251 1161 1HD LYS 65 HD2 LYS 65 8.751 0.319 -10.829 1162 2HD LYS 65 HD1 LYS 65 9.494 -1.000 -11.736 1163 1HE LYS 65 HE2 LYS 65 6.521 -0.747 -11.343 1164 2HE LYS 65 HE1 LYS 65 7.370 -0.034 -12.714 1165 1HZ LYS 65 HZ1 LYS 65 6.400 -2.248 -13.182 1166 2HZ LYS 65 HZ2 LYS 65 7.448 -2.927 -12.032 1167 3HZ LYS 65 HZ3 LYS 65 8.079 -2.184 -13.418 1168 H GLN 66 HN GLN 66 11.471 -0.561 -6.910 1169 HA GLN 66 HA GLN 66 13.801 -2.119 -6.871 1170 1HB GLN 66 HB2 GLN 66 14.009 0.257 -6.867 1171 2HB GLN 66 HB1 GLN 66 13.047 0.405 -5.404 1172 1HG GLN 66 HG2 GLN 66 14.815 -0.685 -4.124 1173 2HG GLN 66 HG1 GLN 66 15.780 -0.843 -5.590 1174 1HE2 GLN 66 HE21 GLN 66 15.035 1.739 -6.638 1175 2HE2 GLN 66 HE22 GLN 66 15.876 2.917 -5.690 1176 H SER 67 HN SER 67 11.564 -1.273 -4.228 1177 HA SER 67 HA SER 67 13.117 -2.550 -2.241 1178 1HB SER 67 HB2 SER 67 11.056 -2.300 -0.826 1179 2HB SER 67 HB1 SER 67 11.638 -0.810 -1.565 1180 HG SER 67 HG SER 67 10.004 -0.909 -3.049 1181 H VAL 68 HN VAL 68 10.575 -3.739 -4.354 1182 HA VAL 68 HA VAL 68 10.160 -6.180 -2.953 1183 HB VAL 68 HB VAL 68 9.708 -5.486 -5.860 1184 1HG1 VAL 68 HG11 VAL 68 8.318 -7.520 -5.960 1185 2HG1 VAL 68 HG12 VAL 68 8.873 -7.956 -4.343 1186 3HG1 VAL 68 HG13 VAL 68 10.020 -7.885 -5.679 1187 1HG2 VAL 68 HG21 VAL 68 8.316 -4.257 -4.280 1188 2HG2 VAL 68 HG22 VAL 68 7.800 -5.773 -3.541 1189 3HG2 VAL 68 HG23 VAL 68 7.352 -5.405 -5.208 1190 H LEU 69 HN LEU 69 12.392 -5.153 -5.486 1191 HA LEU 69 HA LEU 69 13.544 -7.744 -5.861 1192 1HB LEU 69 HB2 LEU 69 14.610 -5.006 -6.561 1193 2HB LEU 69 HB1 LEU 69 15.309 -6.523 -7.090 1194 HG LEU 69 HG LEU 69 12.546 -5.534 -7.812 1195 1HD1 LEU 69 HD11 LEU 69 14.302 -4.224 -8.883 1196 2HD1 LEU 69 HD12 LEU 69 13.462 -5.240 -10.053 1197 3HD1 LEU 69 HD13 LEU 69 15.059 -5.705 -9.469 1198 1HD2 LEU 69 HD21 LEU 69 12.547 -7.415 -9.393 1199 2HD2 LEU 69 HD22 LEU 69 12.632 -7.958 -7.717 1200 3HD2 LEU 69 HD23 LEU 69 14.082 -7.967 -8.721 1201 H GLU 70 HN GLU 70 14.263 -4.965 -3.844 1202 HA GLU 70 HA GLU 70 16.802 -6.004 -2.936 1203 1HB GLU 70 HB2 GLU 70 15.142 -3.670 -1.970 1204 2HB GLU 70 HB1 GLU 70 16.778 -4.029 -1.439 1205 1HG GLU 70 HG2 GLU 70 16.013 -3.430 -4.283 1206 2HG GLU 70 HG1 GLU 70 16.614 -2.234 -3.137 1207 H HIS 71 HN HIS 71 13.502 -6.150 -1.921 1208 HA HIS 71 HA HIS 71 12.415 -7.190 -0.232 1209 1HB HIS 71 HB2 HIS 71 13.918 -9.085 -0.434 1210 2HB HIS 71 HB1 HIS 71 15.148 -8.261 0.513 1211 HD1 HIS 71 HD1 HIS 71 12.008 -10.238 0.833 1212 HD2 HIS 71 HD2 HIS 71 14.670 -8.221 3.309 1213 HE1 HIS 71 HE1 HIS 71 11.451 -10.978 3.169 1214 HE2 HIS 71 HE2 HIS 71 13.051 -9.722 4.662 1215 H HIS 72 HN HIS 72 15.496 -5.839 0.909 1216 HA HIS 72 HA HIS 72 14.075 -4.681 3.207 1217 1HB HIS 72 HB2 HIS 72 16.013 -6.071 3.769 1218 2HB HIS 72 HB1 HIS 72 17.040 -5.088 2.734 1219 HD1 HIS 72 HD1 HIS 72 18.541 -3.814 4.212 1220 HD2 HIS 72 HD2 HIS 72 14.660 -3.956 5.708 1221 HE1 HIS 72 HE1 HIS 72 18.557 -2.388 6.280 1222 HE2 HIS 72 HE2 HIS 72 16.254 -2.644 7.273 1223 H HIS 73 HN HIS 73 13.653 -2.589 3.253 1224 HA HIS 73 HA HIS 73 14.520 -0.816 1.169 1225 1HB HIS 73 HB2 HIS 73 13.075 -0.296 3.780 1226 2HB HIS 73 HB1 HIS 73 13.400 0.944 2.579 1227 HD1 HIS 73 HD1 HIS 73 11.541 1.373 1.031 1228 HD2 HIS 73 HD2 HIS 73 11.412 -2.506 2.542 1229 HE1 HIS 73 HE1 HIS 73 9.378 0.395 0.210 1230 HE2 HIS 73 HE2 HIS 73 9.400 -2.001 0.984 1231 H HIS 74 HN HIS 74 16.405 0.256 1.099 1232 HA HIS 74 HA HIS 74 17.846 0.588 3.643 1233 1HB HIS 74 HB2 HIS 74 19.860 0.980 1.960 1234 2HB HIS 74 HB1 HIS 74 19.397 -0.622 2.505 1235 HD1 HIS 74 HD1 HIS 74 19.962 1.355 -0.499 1236 HD2 HIS 74 HD2 HIS 74 17.858 -2.090 0.511 1237 HE1 HIS 74 HE1 HIS 74 19.507 0.175 -2.668 1238 HE2 HIS 74 HE2 HIS 74 18.524 -2.042 -1.990 1239 H HIS 75 HN HIS 75 16.915 2.247 0.677 1240 HA HIS 75 HA HIS 75 16.928 4.722 2.209 1241 1HB HIS 75 HB2 HIS 75 18.618 4.274 -0.217 1242 2HB HIS 75 HB1 HIS 75 17.890 5.858 0.030 1243 HD1 HIS 75 HD1 HIS 75 18.419 6.874 2.566 1244 HD2 HIS 75 HD2 HIS 75 21.027 4.014 1.023 1245 HE1 HIS 75 HE1 HIS 75 20.547 7.108 3.885 1246 HE2 HIS 75 HE2 HIS 75 22.055 5.275 3.044 1247 H HIS 76 HN HIS 76 15.628 2.690 -0.134 1248 HA HIS 76 HA HIS 76 13.460 4.615 -0.561 1249 1HB HIS 76 HB2 HIS 76 14.652 2.727 -2.604 1250 2HB HIS 76 HB1 HIS 76 13.116 3.559 -2.824 1251 HD1 HIS 76 HD1 HIS 76 16.789 4.052 -2.994 1252 HD2 HIS 76 HD2 HIS 76 13.339 6.362 -3.242 1253 HE1 HIS 76 HE1 HIS 76 17.520 6.260 -3.945 1254 HE2 HIS 76 HE2 HIS 76 15.455 7.702 -3.901 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -27.171 -12.049 -10.321 2 2H MET 1 HT2 MET 1 -26.199 -13.399 -10.651 3 3H MET 1 HT3 MET 1 -25.515 -11.846 -10.628 4 HA MET 1 HA MET 1 -25.936 -11.629 -8.294 5 1HB MET 1 HB2 MET 1 -27.142 -14.376 -8.628 6 2HB MET 1 HB1 MET 1 -26.657 -13.733 -7.065 7 1HG MET 1 HG2 MET 1 -28.674 -12.468 -8.906 8 2HG MET 1 HG1 MET 1 -29.058 -13.468 -7.505 9 1HE MET 1 HE1 MET 1 -30.069 -9.847 -6.362 10 2HE MET 1 HE2 MET 1 -30.622 -11.507 -6.585 11 3HE MET 1 HE3 MET 1 -30.205 -10.519 -7.986 12 HA PRO 2 HA PRO 2 -21.827 -13.335 -8.643 13 1HB PRO 2 HB2 PRO 2 -21.187 -11.718 -6.310 14 2HB PRO 2 HB1 PRO 2 -20.621 -11.541 -7.972 15 1HG PRO 2 HG2 PRO 2 -22.306 -9.771 -6.788 16 2HG PRO 2 HG1 PRO 2 -22.310 -10.093 -8.532 17 1HD PRO 2 HD2 PRO 2 -24.147 -11.135 -6.404 18 2HD PRO 2 HD1 PRO 2 -24.529 -10.570 -8.047 19 H ILE 3 HN ILE 3 -20.553 -14.763 -7.502 20 HA ILE 3 HA ILE 3 -21.845 -16.111 -5.276 21 HB ILE 3 HB ILE 3 -20.948 -17.441 -7.139 22 1HG1 ILE 3 HG12 ILE 3 -19.375 -17.906 -4.597 23 2HG1 ILE 3 HG11 ILE 3 -21.037 -18.414 -4.863 24 1HG2 ILE 3 HG21 ILE 3 -18.262 -16.370 -6.304 25 2HG2 ILE 3 HG22 ILE 3 -19.119 -16.009 -7.803 26 3HG2 ILE 3 HG23 ILE 3 -18.535 -17.644 -7.492 27 1HD1 ILE 3 HD11 ILE 3 -18.627 -19.369 -6.388 28 2HD1 ILE 3 HD12 ILE 3 -20.293 -19.862 -6.690 29 3HD1 ILE 3 HD13 ILE 3 -19.518 -20.268 -5.158 30 H VAL 4 HN VAL 4 -20.486 -16.718 -3.363 31 HA VAL 4 HA VAL 4 -19.467 -14.314 -2.216 32 HB VAL 4 HB VAL 4 -19.120 -15.706 -0.177 33 1HG1 VAL 4 HG11 VAL 4 -21.807 -15.964 -1.521 34 2HG1 VAL 4 HG12 VAL 4 -21.243 -14.588 -0.574 35 3HG1 VAL 4 HG13 VAL 4 -21.505 -16.149 0.206 36 1HG2 VAL 4 HG21 VAL 4 -18.570 -17.825 -1.261 37 2HG2 VAL 4 HG22 VAL 4 -20.204 -17.924 -1.917 38 3HG2 VAL 4 HG23 VAL 4 -19.947 -18.017 -0.174 39 H SER 5 HN SER 5 -17.847 -15.769 -4.388 40 HA SER 5 HA SER 5 -15.431 -16.615 -3.151 41 1HB SER 5 HB2 SER 5 -15.840 -15.610 -5.978 42 2HB SER 5 HB1 SER 5 -14.498 -16.596 -5.396 43 HG SER 5 HG SER 5 -16.177 -17.799 -6.473 44 H LYS 6 HN LYS 6 -16.724 -13.529 -4.096 45 HA LYS 6 HA LYS 6 -14.142 -12.211 -3.840 46 1HB LYS 6 HB2 LYS 6 -15.969 -11.615 -5.568 47 2HB LYS 6 HB1 LYS 6 -16.787 -10.820 -4.230 48 1HG LYS 6 HG2 LYS 6 -14.812 -9.405 -3.878 49 2HG LYS 6 HG1 LYS 6 -14.026 -10.184 -5.251 50 1HD LYS 6 HD2 LYS 6 -15.867 -9.392 -6.702 51 2HD LYS 6 HD1 LYS 6 -16.557 -8.542 -5.317 52 1HE LYS 6 HE2 LYS 6 -15.300 -6.967 -6.603 53 2HE LYS 6 HE1 LYS 6 -14.414 -7.284 -5.112 54 1HZ LYS 6 HZ1 LYS 6 -13.024 -8.869 -6.381 55 2HZ LYS 6 HZ2 LYS 6 -12.894 -7.273 -6.939 56 3HZ LYS 6 HZ3 LYS 6 -13.826 -8.395 -7.803 57 H TYR 7 HN TYR 7 -15.423 -13.571 -1.594 58 HA TYR 7 HA TYR 7 -15.681 -13.362 0.641 59 1HB TYR 7 HB2 TYR 7 -14.461 -10.615 0.520 60 2HB TYR 7 HB1 TYR 7 -14.312 -11.834 1.780 61 HD1 TYR 7 HD1 TYR 7 -12.943 -13.946 1.235 62 HD2 TYR 7 HD2 TYR 7 -12.855 -10.433 -1.166 63 HE1 TYR 7 HE1 TYR 7 -10.821 -14.686 0.227 64 HE2 TYR 7 HE2 TYR 7 -10.741 -11.167 -2.177 65 HH TYR 7 HH TYR 7 -8.940 -12.607 -1.836 66 H SER 8 HN SER 8 -15.780 -9.944 0.744 67 HA SER 8 HA SER 8 -18.585 -9.665 0.242 68 1HB SER 8 HB2 SER 8 -18.968 -8.778 2.642 69 2HB SER 8 HB1 SER 8 -18.936 -10.525 2.406 70 HG SER 8 HG SER 8 -17.629 -9.518 4.200 71 H ASN 9 HN ASN 9 -18.855 -7.696 -0.595 72 HA ASN 9 HA ASN 9 -16.733 -5.856 -0.795 73 1HB ASN 9 HB2 ASN 9 -18.599 -6.048 -2.437 74 2HB ASN 9 HB1 ASN 9 -19.678 -5.317 -1.254 75 1HD2 ASN 9 HD21 ASN 9 -19.568 -3.130 -0.870 76 2HD2 ASN 9 HD22 ASN 9 -18.629 -2.053 -1.849 77 H GLU 10 HN GLU 10 -19.453 -6.097 1.386 78 HA GLU 10 HA GLU 10 -19.344 -3.689 2.751 79 1HB GLU 10 HB2 GLU 10 -19.735 -6.435 3.971 80 2HB GLU 10 HB1 GLU 10 -20.260 -4.906 4.661 81 1HG GLU 10 HG2 GLU 10 -21.906 -4.610 2.997 82 2HG GLU 10 HG1 GLU 10 -21.247 -5.919 2.015 83 H ARG 11 HN ARG 11 -17.389 -6.586 3.115 84 HA ARG 11 HA ARG 11 -15.910 -5.672 5.372 85 1HB ARG 11 HB2 ARG 11 -16.313 -8.056 4.828 86 2HB ARG 11 HB1 ARG 11 -15.298 -7.884 3.406 87 1HG ARG 11 HG2 ARG 11 -13.369 -7.486 4.764 88 2HG ARG 11 HG1 ARG 11 -14.356 -7.472 6.231 89 1HD ARG 11 HD2 ARG 11 -15.057 -9.812 5.641 90 2HD ARG 11 HD1 ARG 11 -13.829 -9.782 4.378 91 HE ARG 11 HE ARG 11 -12.709 -9.075 6.897 92 1HH1 ARG 11 HH11 ARG 11 -13.875 -11.827 5.052 93 2HH1 ARG 11 HH12 ARG 11 -12.842 -12.972 5.865 94 1HH2 ARG 11 HH21 ARG 11 -11.410 -10.561 7.998 95 2HH2 ARG 11 HH22 ARG 11 -11.433 -12.242 7.560 96 H VAL 12 HN VAL 12 -15.353 -5.800 1.884 97 HA VAL 12 HA VAL 12 -12.695 -4.984 1.804 98 HB VAL 12 HB VAL 12 -14.887 -4.284 -0.160 99 1HG1 VAL 12 HG11 VAL 12 -13.077 -4.020 -1.788 100 2HG1 VAL 12 HG12 VAL 12 -11.891 -4.304 -0.513 101 3HG1 VAL 12 HG13 VAL 12 -12.922 -2.873 -0.456 102 1HG2 VAL 12 HG21 VAL 12 -12.961 -6.607 -0.103 103 2HG2 VAL 12 HG22 VAL 12 -14.075 -6.235 -1.419 104 3HG2 VAL 12 HG23 VAL 12 -14.703 -6.686 0.167 105 H GLU 13 HN GLU 13 -15.632 -2.970 1.674 106 HA GLU 13 HA GLU 13 -14.342 -0.480 1.658 107 1HB GLU 13 HB2 GLU 13 -17.049 -1.199 2.803 108 2HB GLU 13 HB1 GLU 13 -16.498 0.435 2.455 109 1HG GLU 13 HG2 GLU 13 -16.321 -0.148 0.077 110 2HG GLU 13 HG1 GLU 13 -16.921 -1.765 0.442 111 H LYS 14 HN LYS 14 -15.310 -2.589 4.304 112 HA LYS 14 HA LYS 14 -14.785 -0.775 6.403 113 1HB LYS 14 HB2 LYS 14 -16.151 -2.715 6.824 114 2HB LYS 14 HB1 LYS 14 -14.840 -3.796 6.365 115 1HG LYS 14 HG2 LYS 14 -13.538 -2.995 8.295 116 2HG LYS 14 HG1 LYS 14 -14.903 -1.984 8.769 117 1HD LYS 14 HD2 LYS 14 -16.278 -3.906 9.146 118 2HD LYS 14 HD1 LYS 14 -15.052 -4.978 8.459 119 1HE LYS 14 HE2 LYS 14 -14.968 -5.127 10.858 120 2HE LYS 14 HE1 LYS 14 -13.516 -4.320 10.276 121 1HZ LYS 14 HZ1 LYS 14 -15.868 -3.092 11.594 122 2HZ LYS 14 HZ2 LYS 14 -14.690 -2.175 10.793 123 3HZ LYS 14 HZ3 LYS 14 -14.262 -3.117 12.139 124 H ILE 15 HN ILE 15 -12.776 -3.342 4.956 125 HA ILE 15 HA ILE 15 -10.597 -3.073 6.707 126 HB ILE 15 HB ILE 15 -10.551 -3.995 3.826 127 1HG1 ILE 15 HG12 ILE 15 -10.772 -5.582 6.395 128 2HG1 ILE 15 HG11 ILE 15 -12.101 -5.272 5.282 129 1HG2 ILE 15 HG21 ILE 15 -8.323 -3.410 4.655 130 2HG2 ILE 15 HG22 ILE 15 -8.486 -5.151 4.426 131 3HG2 ILE 15 HG23 ILE 15 -8.564 -4.465 6.048 132 1HD1 ILE 15 HD11 ILE 15 -9.606 -6.838 4.665 133 2HD1 ILE 15 HD12 ILE 15 -10.932 -6.527 3.545 134 3HD1 ILE 15 HD13 ILE 15 -11.207 -7.504 4.987 135 H ILE 16 HN ILE 16 -11.268 -1.497 3.598 136 HA ILE 16 HA ILE 16 -8.864 -0.067 3.370 137 HB ILE 16 HB ILE 16 -11.613 0.784 2.441 138 1HG1 ILE 16 HG12 ILE 16 -9.438 -0.689 0.941 139 2HG1 ILE 16 HG11 ILE 16 -10.870 -1.452 1.618 140 1HG2 ILE 16 HG21 ILE 16 -8.881 1.676 1.528 141 2HG2 ILE 16 HG22 ILE 16 -10.028 2.636 2.462 142 3HG2 ILE 16 HG23 ILE 16 -10.416 2.159 0.808 143 1HD1 ILE 16 HD11 ILE 16 -11.110 -1.078 -0.765 144 2HD1 ILE 16 HD12 ILE 16 -10.841 0.649 -0.534 145 3HD1 ILE 16 HD13 ILE 16 -12.279 -0.118 0.141 146 H GLN 17 HN GLN 17 -11.942 0.806 4.899 147 HA GLN 17 HA GLN 17 -11.160 3.362 5.794 148 1HB GLN 17 HB2 GLN 17 -13.506 2.655 5.642 149 2HB GLN 17 HB1 GLN 17 -13.241 1.470 6.911 150 1HG GLN 17 HG2 GLN 17 -14.394 3.460 7.731 151 2HG GLN 17 HG1 GLN 17 -12.835 3.223 8.519 152 1HE2 GLN 17 HE21 GLN 17 -11.200 4.679 8.181 153 2HE2 GLN 17 HE22 GLN 17 -11.445 6.210 7.412 154 H ASP 18 HN ASP 18 -10.989 0.158 7.262 155 HA ASP 18 HA ASP 18 -10.183 0.945 9.838 156 1HB ASP 18 HB2 ASP 18 -10.715 -1.460 8.520 157 2HB ASP 18 HB1 ASP 18 -9.034 -1.592 9.029 158 H LEU 19 HN LEU 19 -8.330 0.179 6.930 159 HA LEU 19 HA LEU 19 -5.764 0.440 8.098 160 1HB LEU 19 HB2 LEU 19 -6.660 0.845 5.244 161 2HB LEU 19 HB1 LEU 19 -4.986 0.780 5.757 162 HG LEU 19 HG LEU 19 -6.957 -1.489 6.051 163 1HD1 LEU 19 HD11 LEU 19 -6.483 -1.061 3.710 164 2HD1 LEU 19 HD12 LEU 19 -5.685 -2.544 4.235 165 3HD1 LEU 19 HD13 LEU 19 -4.750 -1.061 4.040 166 1HD2 LEU 19 HD21 LEU 19 -3.967 -1.396 6.449 167 2HD2 LEU 19 HD22 LEU 19 -4.992 -2.825 6.589 168 3HD2 LEU 19 HD23 LEU 19 -5.175 -1.495 7.732 169 H LEU 20 HN LEU 20 -7.901 2.723 6.447 170 HA LEU 20 HA LEU 20 -6.180 4.951 6.520 171 1HB LEU 20 HB2 LEU 20 -9.197 4.829 6.540 172 2HB LEU 20 HB1 LEU 20 -8.266 6.294 6.292 173 HG LEU 20 HG LEU 20 -8.226 3.878 4.478 174 1HD1 LEU 20 HD11 LEU 20 -9.409 5.364 2.903 175 2HD1 LEU 20 HD12 LEU 20 -9.552 6.569 4.183 176 3HD1 LEU 20 HD13 LEU 20 -10.353 5.007 4.348 177 1HD2 LEU 20 HD21 LEU 20 -6.107 5.079 4.470 178 2HD2 LEU 20 HD22 LEU 20 -6.955 6.599 4.185 179 3HD2 LEU 20 HD23 LEU 20 -6.974 5.335 2.955 180 H ASP 21 HN ASP 21 -8.545 3.696 8.817 181 HA ASP 21 HA ASP 21 -8.437 5.831 10.641 182 1HB ASP 21 HB2 ASP 21 -9.197 2.936 10.957 183 2HB ASP 21 HB1 ASP 21 -9.216 4.053 12.320 184 H VAL 22 HN VAL 22 -6.377 3.020 10.223 185 HA VAL 22 HA VAL 22 -4.836 3.344 12.566 186 HB VAL 22 HB VAL 22 -4.030 2.235 9.865 187 1HG1 VAL 22 HG11 VAL 22 -2.588 2.026 12.508 188 2HG1 VAL 22 HG12 VAL 22 -2.063 2.976 11.118 189 3HG1 VAL 22 HG13 VAL 22 -2.130 1.217 11.008 190 1HG2 VAL 22 HG21 VAL 22 -5.807 0.974 10.949 191 2HG2 VAL 22 HG22 VAL 22 -4.853 0.870 12.427 192 3HG2 VAL 22 HG23 VAL 22 -4.302 0.056 10.963 193 H LEU 23 HN LEU 23 -4.471 4.632 9.283 194 HA LEU 23 HA LEU 23 -2.098 6.064 9.726 195 1HB LEU 23 HB2 LEU 23 -4.333 6.642 7.780 196 2HB LEU 23 HB1 LEU 23 -2.730 7.345 7.713 197 HG LEU 23 HG LEU 23 -3.362 4.409 7.388 198 1HD1 LEU 23 HD11 LEU 23 -4.127 5.732 5.492 199 2HD1 LEU 23 HD12 LEU 23 -2.725 4.756 5.053 200 3HD1 LEU 23 HD13 LEU 23 -2.536 6.483 5.360 201 1HD2 LEU 23 HD21 LEU 23 -1.010 4.203 6.734 202 2HD2 LEU 23 HD22 LEU 23 -1.176 4.767 8.398 203 3HD2 LEU 23 HD23 LEU 23 -0.758 5.906 7.120 204 H VAL 24 HN VAL 24 -5.483 6.941 10.169 205 HA VAL 24 HA VAL 24 -4.938 9.662 10.875 206 HB VAL 24 HB VAL 24 -7.409 7.994 11.387 207 1HG1 VAL 24 HG11 VAL 24 -8.559 10.152 11.637 208 2HG1 VAL 24 HG12 VAL 24 -7.008 10.981 11.516 209 3HG1 VAL 24 HG13 VAL 24 -7.330 9.909 12.879 210 1HG2 VAL 24 HG21 VAL 24 -6.899 8.186 9.023 211 2HG2 VAL 24 HG22 VAL 24 -6.749 9.937 9.180 212 3HG2 VAL 24 HG23 VAL 24 -8.313 9.160 9.426 213 H LYS 25 HN LYS 25 -5.333 6.653 12.648 214 HA LYS 25 HA LYS 25 -5.440 7.728 15.247 215 1HB LYS 25 HB2 LYS 25 -6.029 5.409 14.756 216 2HB LYS 25 HB1 LYS 25 -4.376 5.066 14.276 217 1HG LYS 25 HG2 LYS 25 -4.623 6.129 16.988 218 2HG LYS 25 HG1 LYS 25 -5.442 4.587 16.737 219 1HD LYS 25 HD2 LYS 25 -2.550 5.181 16.106 220 2HD LYS 25 HD1 LYS 25 -3.137 4.255 17.488 221 1HE LYS 25 HE2 LYS 25 -4.092 2.595 15.972 222 2HE LYS 25 HE1 LYS 25 -3.530 3.526 14.587 223 1HZ LYS 25 HZ1 LYS 25 -1.241 3.210 15.429 224 2HZ LYS 25 HZ2 LYS 25 -2.010 1.752 14.991 225 3HZ LYS 25 HZ3 LYS 25 -1.852 2.171 16.625 226 H GLU 26 HN GLU 26 -2.762 6.842 13.146 227 HA GLU 26 HA GLU 26 -0.745 7.568 15.061 228 1HB GLU 26 HB2 GLU 26 -0.577 7.107 12.078 229 2HB GLU 26 HB1 GLU 26 0.804 7.323 13.142 230 1HG GLU 26 HG2 GLU 26 -1.198 5.089 13.336 231 2HG GLU 26 HG1 GLU 26 0.384 4.980 12.566 232 H GLU 27 HN GLU 27 -2.651 9.187 12.693 233 HA GLU 27 HA GLU 27 -2.678 11.257 11.790 234 1HB GLU 27 HB2 GLU 27 -1.126 11.875 14.306 235 2HB GLU 27 HB1 GLU 27 -1.625 13.116 13.161 236 1HG GLU 27 HG2 GLU 27 -3.941 12.600 13.532 237 2HG GLU 27 HG1 GLU 27 -3.512 11.227 14.549 238 H VAL 28 HN VAL 28 -1.251 9.859 10.344 239 HA VAL 28 HA VAL 28 1.526 10.626 10.194 240 HB VAL 28 HB VAL 28 1.624 9.178 8.226 241 1HG1 VAL 28 HG11 VAL 28 0.095 7.939 10.510 242 2HG1 VAL 28 HG12 VAL 28 1.843 8.161 10.424 243 3HG1 VAL 28 HG13 VAL 28 1.037 7.062 9.306 244 1HG2 VAL 28 HG21 VAL 28 -1.355 8.859 8.603 245 2HG2 VAL 28 HG22 VAL 28 -0.359 7.938 7.477 246 3HG2 VAL 28 HG23 VAL 28 -0.556 9.677 7.259 247 H THR 29 HN THR 29 2.489 11.539 8.278 248 HA THR 29 HA THR 29 0.873 13.601 7.009 249 HB THR 29 HB THR 29 3.051 14.302 6.010 250 HG1 THR 29 HG1 THR 29 4.948 13.194 6.911 251 1HG2 THR 29 HG21 THR 29 2.354 15.228 8.178 252 2HG2 THR 29 HG22 THR 29 4.107 15.055 8.086 253 3HG2 THR 29 HG23 THR 29 3.153 13.890 9.003 254 HA PRO 30 HA PRO 30 0.463 11.587 2.984 255 1HB PRO 30 HB2 PRO 30 2.193 13.724 1.833 256 2HB PRO 30 HB1 PRO 30 0.600 13.163 1.310 257 1HG PRO 30 HG2 PRO 30 0.877 15.478 2.601 258 2HG PRO 30 HG1 PRO 30 -0.515 14.422 2.900 259 1HD PRO 30 HD2 PRO 30 1.903 14.891 4.579 260 2HD PRO 30 HD1 PRO 30 0.228 14.570 5.073 261 H ASP 31 HN ASP 31 3.657 12.979 3.647 262 HA ASP 31 HA ASP 31 5.181 11.190 2.095 263 1HB ASP 31 HB2 ASP 31 5.953 12.753 4.570 264 2HB ASP 31 HB1 ASP 31 7.091 11.946 3.498 265 H LEU 32 HN LEU 32 4.453 11.218 5.567 266 HA LEU 32 HA LEU 32 5.869 8.869 6.195 267 1HB LEU 32 HB2 LEU 32 5.164 10.576 7.838 268 2HB LEU 32 HB1 LEU 32 3.498 10.077 7.622 269 HG LEU 32 HG LEU 32 4.022 7.869 8.552 270 1HD1 LEU 32 HD11 LEU 32 6.202 7.427 9.542 271 2HD1 LEU 32 HD12 LEU 32 6.793 8.988 8.971 272 3HD1 LEU 32 HD13 LEU 32 6.353 7.733 7.813 273 1HD2 LEU 32 HD21 LEU 32 4.970 10.155 10.278 274 2HD2 LEU 32 HD22 LEU 32 4.436 8.577 10.856 275 3HD2 LEU 32 HD23 LEU 32 3.294 9.654 10.052 276 H ALA 33 HN ALA 33 2.513 9.432 5.251 277 HA ALA 33 HA ALA 33 1.508 6.858 5.720 278 1HB ALA 33 HB1 ALA 33 0.098 8.814 5.241 279 2HB ALA 33 HB2 ALA 33 -0.280 7.449 4.189 280 3HB ALA 33 HB3 ALA 33 0.667 8.802 3.571 281 H LEU 34 HN LEU 34 2.789 8.272 2.711 282 HA LEU 34 HA LEU 34 2.518 5.969 1.143 283 1HB LEU 34 HB2 LEU 34 4.483 8.246 0.902 284 2HB LEU 34 HB1 LEU 34 4.230 7.026 -0.331 285 HG LEU 34 HG LEU 34 2.176 9.021 0.633 286 1HD1 LEU 34 HD11 LEU 34 2.388 9.961 -1.611 287 2HD1 LEU 34 HD12 LEU 34 3.666 8.801 -1.980 288 3HD1 LEU 34 HD13 LEU 34 3.919 10.029 -0.738 289 1HD2 LEU 34 HD21 LEU 34 1.990 6.943 -1.548 290 2HD2 LEU 34 HD22 LEU 34 0.765 8.147 -1.151 291 3HD2 LEU 34 HD23 LEU 34 1.163 6.878 0.007 292 H MET 35 HN MET 35 5.224 7.098 3.129 293 HA MET 35 HA MET 35 7.055 5.115 2.319 294 1HB MET 35 HB2 MET 35 7.738 7.164 3.488 295 2HB MET 35 HB1 MET 35 6.925 6.610 4.945 296 1HG MET 35 HG2 MET 35 8.461 4.789 5.186 297 2HG MET 35 HG1 MET 35 9.200 5.149 3.627 298 1HE MET 35 HE1 MET 35 9.501 7.981 7.262 299 2HE MET 35 HE2 MET 35 8.631 6.449 7.310 300 3HE MET 35 HE3 MET 35 8.035 7.770 6.304 301 H CYS 36 HN CYS 36 4.700 5.193 4.971 302 HA CYS 36 HA CYS 36 5.480 2.678 6.060 303 1HB CYS 36 HB2 CYS 36 2.867 4.177 6.352 304 2HB CYS 36 HB1 CYS 36 3.385 2.819 7.343 305 HG CYS 36 HG CYS 36 4.594 6.001 7.317 306 H LEU 37 HN LEU 37 2.870 3.699 3.880 307 HA LEU 37 HA LEU 37 1.637 1.190 3.623 308 1HB LEU 37 HB2 LEU 37 1.744 3.520 1.706 309 2HB LEU 37 HB1 LEU 37 0.709 2.121 1.490 310 HG LEU 37 HG LEU 37 0.571 3.999 3.852 311 1HD1 LEU 37 HD11 LEU 37 -0.085 5.147 1.820 312 2HD1 LEU 37 HD12 LEU 37 -1.504 4.810 2.814 313 3HD1 LEU 37 HD13 LEU 37 -1.164 3.819 1.395 314 1HD2 LEU 37 HD21 LEU 37 -0.201 1.750 4.370 315 2HD2 LEU 37 HD22 LEU 37 -1.254 1.769 2.955 316 3HD2 LEU 37 HD23 LEU 37 -1.559 2.872 4.297 317 H GLY 38 HN GLY 38 4.205 2.719 1.707 318 1HA GLY 38 HA2 GLY 38 4.458 0.764 -0.275 319 2HA GLY 38 HA1 GLY 38 5.756 1.814 0.272 320 H ASN 39 HN ASN 39 6.075 0.977 2.880 321 HA ASN 39 HA ASN 39 7.599 -1.390 2.542 322 1HB ASN 39 HB2 ASN 39 6.874 0.303 4.909 323 2HB ASN 39 HB1 ASN 39 7.659 -1.255 5.150 324 1HD2 ASN 39 HD21 ASN 39 8.013 1.982 3.930 325 2HD2 ASN 39 HD22 ASN 39 9.734 1.931 3.748 326 H ALA 40 HN ALA 40 4.392 -0.731 3.796 327 HA ALA 40 HA ALA 40 3.901 -3.279 4.912 328 1HB ALA 40 HB1 ALA 40 1.525 -2.678 4.764 329 2HB ALA 40 HB2 ALA 40 1.947 -1.283 3.770 330 3HB ALA 40 HB3 ALA 40 2.495 -1.371 5.444 331 H VAL 41 HN VAL 41 3.376 -1.940 1.678 332 HA VAL 41 HA VAL 41 2.015 -4.172 0.604 333 HB VAL 41 HB VAL 41 3.674 -2.098 -0.847 334 1HG1 VAL 41 HG11 VAL 41 1.622 -4.051 -1.879 335 2HG1 VAL 41 HG12 VAL 41 3.349 -4.047 -2.239 336 3HG1 VAL 41 HG13 VAL 41 2.324 -2.732 -2.815 337 1HG2 VAL 41 HG21 VAL 41 0.702 -2.214 -0.360 338 2HG2 VAL 41 HG22 VAL 41 1.559 -0.983 -1.290 339 3HG2 VAL 41 HG23 VAL 41 1.834 -1.130 0.447 340 H THR 42 HN THR 42 5.439 -3.222 0.551 341 HA THR 42 HA THR 42 6.267 -5.338 -1.122 342 HB THR 42 HB THR 42 7.559 -3.230 -0.748 343 HG1 THR 42 HG1 THR 42 9.117 -4.393 -1.553 344 1HG2 THR 42 HG21 THR 42 7.390 -3.127 1.699 345 2HG2 THR 42 HG22 THR 42 9.067 -3.080 1.161 346 3HG2 THR 42 HG23 THR 42 8.397 -4.569 1.829 347 H ASN 43 HN ASN 43 5.657 -5.174 2.295 348 HA ASN 43 HA ASN 43 7.103 -7.573 2.929 349 1HB ASN 43 HB2 ASN 43 5.116 -5.900 4.447 350 2HB ASN 43 HB1 ASN 43 5.675 -7.449 5.070 351 1HD2 ASN 43 HD21 ASN 43 6.052 -4.778 6.144 352 2HD2 ASN 43 HD22 ASN 43 7.757 -4.536 6.260 353 H ILE 44 HN ILE 44 4.022 -6.862 1.608 354 HA ILE 44 HA ILE 44 2.934 -9.493 2.195 355 HB ILE 44 HB ILE 44 1.880 -7.295 0.399 356 1HG1 ILE 44 HG12 ILE 44 1.939 -6.646 2.767 357 2HG1 ILE 44 HG11 ILE 44 0.284 -6.848 2.203 358 1HG2 ILE 44 HG21 ILE 44 1.047 -9.459 -0.302 359 2HG2 ILE 44 HG22 ILE 44 -0.244 -8.528 0.458 360 3HG2 ILE 44 HG23 ILE 44 0.547 -9.828 1.349 361 1HD1 ILE 44 HD11 ILE 44 1.851 -8.828 3.836 362 2HD1 ILE 44 HD12 ILE 44 0.196 -9.043 3.265 363 3HD1 ILE 44 HD13 ILE 44 0.570 -7.766 4.423 364 H ILE 45 HN ILE 45 4.210 -7.673 -0.553 365 HA ILE 45 HA ILE 45 3.827 -9.734 -2.469 366 HB ILE 45 HB ILE 45 5.759 -7.405 -2.582 367 1HG1 ILE 45 HG12 ILE 45 2.896 -7.624 -3.537 368 2HG1 ILE 45 HG11 ILE 45 3.458 -6.657 -2.178 369 1HG2 ILE 45 HG21 ILE 45 5.508 -7.661 -5.034 370 2HG2 ILE 45 HG22 ILE 45 4.602 -9.149 -4.753 371 3HG2 ILE 45 HG23 ILE 45 6.296 -9.035 -4.264 372 1HD1 ILE 45 HD11 ILE 45 4.225 -6.250 -5.060 373 2HD1 ILE 45 HD12 ILE 45 4.757 -5.267 -3.696 374 3HD1 ILE 45 HD13 ILE 45 3.054 -5.293 -4.153 375 H ALA 46 HN ALA 46 6.206 -9.192 -0.042 376 HA ALA 46 HA ALA 46 8.272 -10.779 -1.251 377 1HB ALA 46 HB1 ALA 46 9.396 -10.616 0.909 378 2HB ALA 46 HB2 ALA 46 7.937 -9.931 1.626 379 3HB ALA 46 HB3 ALA 46 8.809 -9.038 0.381 380 H GLN 47 HN GLN 47 5.331 -11.558 0.138 381 HA GLN 47 HA GLN 47 6.189 -13.979 1.467 382 1HB GLN 47 HB2 GLN 47 3.436 -12.869 0.918 383 2HB GLN 47 HB1 GLN 47 3.757 -14.315 1.864 384 1HG GLN 47 HG2 GLN 47 4.955 -13.016 3.509 385 2HG GLN 47 HG1 GLN 47 4.757 -11.559 2.539 386 1HE2 GLN 47 HE21 GLN 47 3.680 -10.480 4.163 387 2HE2 GLN 47 HE22 GLN 47 2.064 -10.876 4.640 388 H VAL 48 HN VAL 48 5.383 -13.083 -1.697 389 HA VAL 48 HA VAL 48 4.609 -15.820 -2.408 390 HB VAL 48 HB VAL 48 4.051 -14.904 -4.636 391 1HG1 VAL 48 HG11 VAL 48 2.306 -15.070 -2.957 392 2HG1 VAL 48 HG12 VAL 48 2.064 -13.627 -3.943 393 3HG1 VAL 48 HG13 VAL 48 2.741 -13.482 -2.321 394 1HG2 VAL 48 HG21 VAL 48 4.807 -12.269 -3.393 395 2HG2 VAL 48 HG22 VAL 48 3.915 -12.440 -4.903 396 3HG2 VAL 48 HG23 VAL 48 5.565 -13.051 -4.780 397 HA PRO 49 HA PRO 49 8.455 -16.960 -4.273 398 1HB PRO 49 HB2 PRO 49 7.616 -17.750 -6.797 399 2HB PRO 49 HB1 PRO 49 7.595 -18.767 -5.354 400 1HG PRO 49 HG2 PRO 49 5.375 -17.205 -6.605 401 2HG PRO 49 HG1 PRO 49 5.337 -18.818 -5.869 402 1HD PRO 49 HD2 PRO 49 4.405 -16.680 -4.563 403 2HD PRO 49 HD1 PRO 49 5.286 -17.964 -3.707 404 H GLU 50 HN GLU 50 10.050 -16.161 -5.596 405 HA GLU 50 HA GLU 50 9.966 -13.450 -6.137 406 1HB GLU 50 HB2 GLU 50 12.007 -14.738 -5.733 407 2HB GLU 50 HB1 GLU 50 11.822 -15.532 -7.288 408 1HG GLU 50 HG2 GLU 50 12.135 -13.409 -8.429 409 2HG GLU 50 HG1 GLU 50 12.279 -12.586 -6.875 410 H SER 51 HN SER 51 9.510 -16.149 -8.400 411 HA SER 51 HA SER 51 9.498 -14.711 -10.788 412 1HB SER 51 HB2 SER 51 7.783 -17.114 -10.133 413 2HB SER 51 HB1 SER 51 8.276 -16.582 -11.741 414 HG SER 51 HG SER 51 10.323 -17.223 -11.358 415 H LYS 52 HN LYS 52 6.728 -15.532 -8.701 416 HA LYS 52 HA LYS 52 4.892 -13.978 -10.253 417 1HB LYS 52 HB2 LYS 52 4.675 -15.207 -7.500 418 2HB LYS 52 HB1 LYS 52 3.356 -14.358 -8.295 419 1HG LYS 52 HG2 LYS 52 3.403 -15.990 -10.113 420 2HG LYS 52 HG1 LYS 52 4.710 -16.854 -9.302 421 1HD LYS 52 HD2 LYS 52 3.261 -17.320 -7.409 422 2HD LYS 52 HD1 LYS 52 1.966 -16.372 -8.145 423 1HE LYS 52 HE2 LYS 52 1.812 -17.931 -9.982 424 2HE LYS 52 HE1 LYS 52 3.186 -18.849 -9.366 425 1HZ LYS 52 HZ1 LYS 52 1.901 -19.455 -7.435 426 2HZ LYS 52 HZ2 LYS 52 1.045 -19.880 -8.837 427 3HZ LYS 52 HZ3 LYS 52 0.593 -18.508 -7.951 428 H ARG 53 HN ARG 53 6.970 -13.442 -7.555 429 HA ARG 53 HA ARG 53 5.831 -11.303 -6.251 430 1HB ARG 53 HB2 ARG 53 7.861 -12.607 -5.594 431 2HB ARG 53 HB1 ARG 53 8.776 -11.696 -6.782 432 1HG ARG 53 HG2 ARG 53 8.380 -9.649 -5.570 433 2HG ARG 53 HG1 ARG 53 7.345 -10.503 -4.424 434 1HD ARG 53 HD2 ARG 53 10.280 -11.028 -4.880 435 2HD ARG 53 HD1 ARG 53 9.589 -10.150 -3.515 436 HE ARG 53 HE ARG 53 8.315 -12.557 -3.449 437 1HH1 ARG 53 HH11 ARG 53 11.695 -11.621 -3.552 438 2HH1 ARG 53 HH12 ARG 53 12.222 -12.980 -2.604 439 1HH2 ARG 53 HH21 ARG 53 9.019 -14.342 -2.216 440 2HH2 ARG 53 HH22 ARG 53 10.710 -14.516 -1.830 441 H VAL 54 HN VAL 54 8.071 -11.193 -9.015 442 HA VAL 54 HA VAL 54 8.077 -8.368 -9.236 443 HB VAL 54 HB VAL 54 8.676 -10.428 -11.371 444 1HG1 VAL 54 HG11 VAL 54 9.939 -8.644 -12.467 445 2HG1 VAL 54 HG12 VAL 54 9.429 -7.510 -11.217 446 3HG1 VAL 54 HG13 VAL 54 8.237 -8.212 -12.311 447 1HG2 VAL 54 HG21 VAL 54 11.028 -10.057 -10.756 448 2HG2 VAL 54 HG22 VAL 54 10.095 -10.715 -9.413 449 3HG2 VAL 54 HG23 VAL 54 10.510 -8.999 -9.441 450 H ALA 55 HN ALA 55 6.191 -10.902 -10.845 451 HA ALA 55 HA ALA 55 4.810 -9.245 -12.642 452 1HB ALA 55 HB1 ALA 55 3.886 -11.827 -11.386 453 2HB ALA 55 HB2 ALA 55 4.859 -11.677 -12.850 454 3HB ALA 55 HB3 ALA 55 3.202 -11.072 -12.826 455 H VAL 56 HN VAL 56 4.169 -10.124 -9.300 456 HA VAL 56 HA VAL 56 1.565 -9.056 -9.131 457 HB VAL 56 HB VAL 56 3.627 -9.577 -6.985 458 1HG1 VAL 56 HG11 VAL 56 0.721 -8.837 -6.661 459 2HG1 VAL 56 HG12 VAL 56 2.104 -7.842 -6.205 460 3HG1 VAL 56 HG13 VAL 56 1.797 -9.364 -5.367 461 1HG2 VAL 56 HG21 VAL 56 1.158 -11.074 -7.861 462 2HG2 VAL 56 HG22 VAL 56 2.157 -11.491 -6.469 463 3HG2 VAL 56 HG23 VAL 56 2.833 -11.575 -8.095 464 H VAL 57 HN VAL 57 4.741 -7.640 -8.270 465 HA VAL 57 HA VAL 57 3.600 -5.233 -7.298 466 HB VAL 57 HB VAL 57 5.846 -5.943 -6.618 467 1HG1 VAL 57 HG11 VAL 57 6.710 -5.193 -9.404 468 2HG1 VAL 57 HG12 VAL 57 6.642 -6.829 -8.749 469 3HG1 VAL 57 HG13 VAL 57 7.770 -5.654 -8.072 470 1HG2 VAL 57 HG21 VAL 57 5.208 -3.608 -6.375 471 2HG2 VAL 57 HG22 VAL 57 5.817 -3.261 -7.993 472 3HG2 VAL 57 HG23 VAL 57 6.932 -3.758 -6.719 473 H ASP 58 HN ASP 58 4.736 -6.220 -10.486 474 HA ASP 58 HA ASP 58 4.622 -3.662 -11.684 475 1HB ASP 58 HB2 ASP 58 4.756 -6.459 -12.667 476 2HB ASP 58 HB1 ASP 58 4.157 -5.250 -13.800 477 H ASN 59 HN ASN 59 2.194 -6.162 -11.184 478 HA ASN 59 HA ASN 59 0.166 -4.828 -12.697 479 1HB ASN 59 HB2 ASN 59 0.221 -7.151 -10.817 480 2HB ASN 59 HB1 ASN 59 -1.328 -6.395 -11.173 481 1HD2 ASN 59 HD21 ASN 59 1.350 -8.202 -12.474 482 2HD2 ASN 59 HD22 ASN 59 0.567 -8.671 -13.950 483 H PHE 60 HN PHE 60 1.081 -4.938 -9.292 484 HA PHE 60 HA PHE 60 -1.082 -3.460 -8.264 485 1HB PHE 60 HB2 PHE 60 0.525 -4.774 -6.887 486 2HB PHE 60 HB1 PHE 60 1.755 -3.558 -7.223 487 HD1 PHE 60 HD1 PHE 60 -1.712 -3.803 -5.862 488 HD2 PHE 60 HD2 PHE 60 2.084 -1.891 -5.696 489 HE1 PHE 60 HE1 PHE 60 -2.456 -2.505 -3.908 490 HE2 PHE 60 HE2 PHE 60 1.348 -0.593 -3.739 491 HZ PHE 60 HZ PHE 60 -0.920 -0.899 -2.843 492 H THR 61 HN THR 61 2.134 -2.457 -9.367 493 HA THR 61 HA THR 61 1.834 0.274 -8.753 494 HB THR 61 HB THR 61 3.718 0.573 -10.436 495 HG1 THR 61 HG1 THR 61 3.860 -2.258 -10.397 496 1HG2 THR 61 HG21 THR 61 5.367 -0.556 -8.990 497 2HG2 THR 61 HG22 THR 61 4.055 -1.440 -8.210 498 3HG2 THR 61 HG23 THR 61 4.150 0.321 -8.059 499 H LYS 62 HN LYS 62 1.068 -1.614 -11.621 500 HA LYS 62 HA LYS 62 0.352 0.500 -13.329 501 1HB LYS 62 HB2 LYS 62 0.655 -1.828 -14.081 502 2HB LYS 62 HB1 LYS 62 -0.778 -2.304 -13.184 503 1HG LYS 62 HG2 LYS 62 -2.077 -0.696 -14.617 504 2HG LYS 62 HG1 LYS 62 -0.625 -0.539 -15.613 505 1HD LYS 62 HD2 LYS 62 -0.642 -2.980 -15.962 506 2HD LYS 62 HD1 LYS 62 -2.136 -3.085 -15.030 507 1HE LYS 62 HE2 LYS 62 -3.211 -1.580 -16.677 508 2HE LYS 62 HE1 LYS 62 -1.724 -1.610 -17.628 509 1HZ LYS 62 HZ1 LYS 62 -3.477 -3.920 -16.994 510 2HZ LYS 62 HZ2 LYS 62 -1.974 -4.049 -17.771 511 3HZ LYS 62 HZ3 LYS 62 -3.247 -3.206 -18.515 512 H ALA 63 HN ALA 63 -1.580 -1.461 -11.087 513 HA ALA 63 HA ALA 63 -4.054 -0.232 -11.582 514 1HB ALA 63 HB1 ALA 63 -3.139 -1.533 -9.020 515 2HB ALA 63 HB2 ALA 63 -3.781 -2.391 -10.420 516 3HB ALA 63 HB3 ALA 63 -4.806 -1.265 -9.531 517 H LEU 64 HN LEU 64 -1.426 0.606 -9.416 518 HA LEU 64 HA LEU 64 -2.741 2.569 -7.903 519 1HB LEU 64 HB2 LEU 64 0.124 2.096 -8.629 520 2HB LEU 64 HB1 LEU 64 -0.340 3.538 -7.746 521 HG LEU 64 HG LEU 64 -0.913 0.726 -6.813 522 1HD1 LEU 64 HD11 LEU 64 1.222 2.650 -5.908 523 2HD1 LEU 64 HD12 LEU 64 1.498 1.206 -6.881 524 3HD1 LEU 64 HD13 LEU 64 0.893 1.057 -5.231 525 1HD2 LEU 64 HD21 LEU 64 -1.386 1.860 -4.674 526 2HD2 LEU 64 HD22 LEU 64 -2.481 2.364 -5.961 527 3HD2 LEU 64 HD23 LEU 64 -1.154 3.418 -5.473 528 H LYS 65 HN LYS 65 -0.675 2.986 -10.791 529 HA LYS 65 HA LYS 65 -1.165 5.750 -11.018 530 1HB LYS 65 HB2 LYS 65 -0.310 3.727 -13.089 531 2HB LYS 65 HB1 LYS 65 -0.374 5.460 -13.388 532 1HG LYS 65 HG2 LYS 65 1.211 5.768 -11.482 533 2HG LYS 65 HG1 LYS 65 1.373 4.013 -11.411 534 1HD LYS 65 HD2 LYS 65 2.271 3.950 -13.640 535 2HD LYS 65 HD1 LYS 65 1.949 5.671 -13.863 536 1HE LYS 65 HE2 LYS 65 3.513 6.139 -11.978 537 2HE LYS 65 HE1 LYS 65 3.912 4.421 -11.948 538 1HZ LYS 65 HZ1 LYS 65 4.865 4.550 -14.085 539 2HZ LYS 65 HZ2 LYS 65 5.462 5.898 -13.238 540 3HZ LYS 65 HZ3 LYS 65 4.218 6.092 -14.375 541 H GLN 66 HN GLN 66 -2.825 2.938 -12.312 542 HA GLN 66 HA GLN 66 -4.612 4.240 -14.027 543 1HB GLN 66 HB2 GLN 66 -4.331 1.833 -14.060 544 2HB GLN 66 HB1 GLN 66 -4.941 1.703 -12.416 545 1HG GLN 66 HG2 GLN 66 -6.617 1.006 -14.017 546 2HG GLN 66 HG1 GLN 66 -7.136 2.455 -13.161 547 1HE2 GLN 66 HE21 GLN 66 -7.280 4.397 -14.265 548 2HE2 GLN 66 HE22 GLN 66 -7.305 4.474 -15.996 549 H SER 67 HN SER 67 -4.921 3.452 -10.568 550 HA SER 67 HA SER 67 -7.574 4.507 -10.410 551 1HB SER 67 HB2 SER 67 -7.198 4.242 -7.912 552 2HB SER 67 HB1 SER 67 -7.032 2.774 -8.874 553 HG SER 67 HG SER 67 -4.878 2.810 -8.600 554 H VAL 68 HN VAL 68 -4.356 5.792 -9.797 555 HA VAL 68 HA VAL 68 -5.220 8.163 -8.488 556 HB VAL 68 HB VAL 68 -2.652 7.548 -9.956 557 1HG1 VAL 68 HG11 VAL 68 -3.309 9.950 -8.251 558 2HG1 VAL 68 HG12 VAL 68 -3.054 9.960 -9.996 559 3HG1 VAL 68 HG13 VAL 68 -1.722 9.556 -8.912 560 1HG2 VAL 68 HG21 VAL 68 -3.328 7.708 -7.020 561 2HG2 VAL 68 HG22 VAL 68 -1.718 7.430 -7.686 562 3HG2 VAL 68 HG23 VAL 68 -2.995 6.240 -7.940 563 H LEU 69 HN LEU 69 -4.421 7.440 -11.880 564 HA LEU 69 HA LEU 69 -4.923 10.071 -12.815 565 1HB LEU 69 HB2 LEU 69 -4.951 7.424 -14.264 566 2HB LEU 69 HB1 LEU 69 -5.095 8.977 -15.063 567 HG LEU 69 HG LEU 69 -2.708 8.084 -13.443 568 1HD1 LEU 69 HD11 LEU 69 -2.946 6.802 -15.505 569 2HD1 LEU 69 HD12 LEU 69 -1.567 7.899 -15.587 570 3HD1 LEU 69 HD13 LEU 69 -3.064 8.300 -16.427 571 1HD2 LEU 69 HD21 LEU 69 -3.014 10.499 -13.408 572 2HD2 LEU 69 HD22 LEU 69 -3.151 10.521 -15.166 573 3HD2 LEU 69 HD23 LEU 69 -1.627 10.065 -14.405 574 H GLU 70 HN GLU 70 -6.944 7.254 -12.316 575 HA GLU 70 HA GLU 70 -9.246 8.475 -13.578 576 1HB GLU 70 HB2 GLU 70 -8.612 5.938 -13.414 577 2HB GLU 70 HB1 GLU 70 -9.375 6.036 -11.834 578 1HG GLU 70 HG2 GLU 70 -10.985 5.237 -13.398 579 2HG GLU 70 HG1 GLU 70 -11.431 6.879 -12.936 580 H HIS 71 HN HIS 71 -7.714 9.164 -10.852 581 HA HIS 71 HA HIS 71 -10.058 9.388 -9.120 582 1HB HIS 71 HB2 HIS 71 -7.376 8.890 -8.604 583 2HB HIS 71 HB1 HIS 71 -7.578 10.574 -8.130 584 HD1 HIS 71 HD1 HIS 71 -7.455 7.539 -6.522 585 HD2 HIS 71 HD2 HIS 71 -10.312 10.567 -6.537 586 HE1 HIS 71 HE1 HIS 71 -8.785 7.234 -4.408 587 HE2 HIS 71 HE2 HIS 71 -10.368 9.193 -4.343 588 H HIS 72 HN HIS 72 -8.475 11.128 -11.474 589 HA HIS 72 HA HIS 72 -8.931 13.782 -10.457 590 1HB HIS 72 HB2 HIS 72 -7.138 13.491 -12.034 591 2HB HIS 72 HB1 HIS 72 -8.200 12.701 -13.191 592 HD1 HIS 72 HD1 HIS 72 -7.102 16.060 -11.988 593 HD2 HIS 72 HD2 HIS 72 -9.817 14.449 -14.711 594 HE1 HIS 72 HE1 HIS 72 -7.825 17.975 -13.453 595 HE2 HIS 72 HE2 HIS 72 -9.386 16.962 -15.154 596 H HIS 73 HN HIS 73 -10.975 14.363 -10.097 597 HA HIS 73 HA HIS 73 -13.243 14.518 -10.241 598 1HB HIS 73 HB2 HIS 73 -12.517 16.066 -12.064 599 2HB HIS 73 HB1 HIS 73 -12.694 14.745 -13.212 600 HD1 HIS 73 HD1 HIS 73 -14.562 17.438 -11.586 601 HD2 HIS 73 HD2 HIS 73 -15.468 13.852 -13.495 602 HE1 HIS 73 HE1 HIS 73 -17.016 17.551 -12.131 603 HE2 HIS 73 HE2 HIS 73 -17.578 15.287 -13.078 604 H HIS 74 HN HIS 74 -13.386 12.268 -9.557 605 HA HIS 74 HA HIS 74 -13.752 10.262 -11.590 606 1HB HIS 74 HB2 HIS 74 -13.961 8.676 -9.858 607 2HB HIS 74 HB1 HIS 74 -12.790 9.836 -9.255 608 HD1 HIS 74 HD1 HIS 74 -15.759 8.062 -8.297 609 HD2 HIS 74 HD2 HIS 74 -14.066 11.736 -7.341 610 HE1 HIS 74 HE1 HIS 74 -16.855 8.777 -6.150 611 HE2 HIS 74 HE2 HIS 74 -15.665 10.896 -5.493 612 H HIS 75 HN HIS 75 -15.589 9.622 -12.501 613 HA HIS 75 HA HIS 75 -18.099 10.583 -11.344 614 1HB HIS 75 HB2 HIS 75 -18.932 10.965 -13.712 615 2HB HIS 75 HB1 HIS 75 -17.774 12.133 -13.097 616 HD1 HIS 75 HD1 HIS 75 -18.356 9.787 -15.867 617 HD2 HIS 75 HD2 HIS 75 -15.139 11.865 -14.241 618 HE1 HIS 75 HE1 HIS 75 -16.563 9.751 -17.629 619 HE2 HIS 75 HE2 HIS 75 -14.710 11.189 -16.699 620 H HIS 76 HN HIS 76 -18.676 8.676 -10.530 621 HA HIS 76 HA HIS 76 -19.431 6.623 -12.491 622 1HB HIS 76 HB2 HIS 76 -17.413 5.866 -11.253 623 2HB HIS 76 HB1 HIS 76 -18.278 6.087 -9.738 624 HD1 HIS 76 HD1 HIS 76 -18.382 3.702 -8.954 625 HD2 HIS 76 HD2 HIS 76 -19.755 4.173 -12.857 626 HE1 HIS 76 HE1 HIS 76 -19.370 1.486 -9.601 627 HE2 HIS 76 HE2 HIS 76 -20.387 1.859 -11.873 628 1H MET 1 HT1 MET 1 4.727 19.024 22.289 629 2H MET 1 HT2 MET 1 5.247 17.412 22.149 630 3H MET 1 HT3 MET 1 3.909 17.954 21.260 631 HA MET 1 HA MET 1 5.215 19.324 19.893 632 1HB MET 1 HB2 MET 1 7.389 18.666 21.862 633 2HB MET 1 HB1 MET 1 7.771 19.206 20.235 634 1HG MET 1 HG2 MET 1 6.453 21.256 20.656 635 2HG MET 1 HG1 MET 1 6.226 20.720 22.322 636 1HE MET 1 HE1 MET 1 8.846 23.693 22.487 637 2HE MET 1 HE2 MET 1 7.215 23.174 22.918 638 3HE MET 1 HE3 MET 1 7.613 23.530 21.236 639 HA PRO 2 HA PRO 2 6.110 15.396 17.853 640 1HB PRO 2 HB2 PRO 2 5.521 16.767 15.382 641 2HB PRO 2 HB1 PRO 2 4.597 15.483 16.165 642 1HG PRO 2 HG2 PRO 2 3.728 18.077 15.911 643 2HG PRO 2 HG1 PRO 2 3.171 16.959 17.166 644 1HD PRO 2 HD2 PRO 2 5.196 19.154 17.340 645 2HD PRO 2 HD1 PRO 2 3.976 18.645 18.528 646 H ILE 3 HN ILE 3 6.680 17.891 15.471 647 HA ILE 3 HA ILE 3 8.540 18.706 14.455 648 HB ILE 3 HB ILE 3 9.879 18.589 17.161 649 1HG1 ILE 3 HG12 ILE 3 7.903 20.663 16.166 650 2HG1 ILE 3 HG11 ILE 3 7.577 19.472 17.420 651 1HG2 ILE 3 HG21 ILE 3 11.274 19.344 15.308 652 2HG2 ILE 3 HG22 ILE 3 10.920 20.685 16.397 653 3HG2 ILE 3 HG23 ILE 3 10.060 20.545 14.865 654 1HD1 ILE 3 HD11 ILE 3 8.061 21.647 18.375 655 2HD1 ILE 3 HD12 ILE 3 9.628 21.670 17.565 656 3HD1 ILE 3 HD13 ILE 3 9.302 20.476 18.823 657 H VAL 4 HN VAL 4 8.294 15.925 14.276 658 HA VAL 4 HA VAL 4 10.733 14.600 14.844 659 HB VAL 4 HB VAL 4 9.914 12.923 13.107 660 1HG1 VAL 4 HG11 VAL 4 8.067 13.627 15.388 661 2HG1 VAL 4 HG12 VAL 4 9.541 12.668 15.513 662 3HG1 VAL 4 HG13 VAL 4 8.169 12.060 14.585 663 1HG2 VAL 4 HG21 VAL 4 8.533 14.470 11.799 664 2HG2 VAL 4 HG22 VAL 4 7.466 14.689 13.186 665 3HG2 VAL 4 HG23 VAL 4 7.585 13.111 12.404 666 H SER 5 HN SER 5 12.622 14.742 13.866 667 HA SER 5 HA SER 5 13.211 16.618 11.914 668 1HB SER 5 HB2 SER 5 14.828 14.124 12.452 669 2HB SER 5 HB1 SER 5 15.417 15.697 11.914 670 HG SER 5 HG SER 5 15.260 16.473 13.905 671 H LYS 6 HN LYS 6 13.543 13.114 11.448 672 HA LYS 6 HA LYS 6 12.234 13.379 8.839 673 1HB LYS 6 HB2 LYS 6 14.863 12.024 9.430 674 2HB LYS 6 HB1 LYS 6 13.877 11.553 8.051 675 1HG LYS 6 HG2 LYS 6 13.962 13.903 7.255 676 2HG LYS 6 HG1 LYS 6 15.079 14.263 8.571 677 1HD LYS 6 HD2 LYS 6 16.695 12.713 7.692 678 2HD LYS 6 HD1 LYS 6 15.556 12.166 6.459 679 1HE LYS 6 HE2 LYS 6 16.682 14.958 6.697 680 2HE LYS 6 HE1 LYS 6 17.219 13.732 5.550 681 1HZ LYS 6 HZ1 LYS 6 15.692 15.254 4.496 682 2HZ LYS 6 HZ2 LYS 6 14.508 14.951 5.668 683 3HZ LYS 6 HZ3 LYS 6 14.972 13.724 4.596 684 H TYR 7 HN TYR 7 11.217 12.671 11.335 685 HA TYR 7 HA TYR 7 9.714 11.242 12.223 686 1HB TYR 7 HB2 TYR 7 10.239 9.430 9.859 687 2HB TYR 7 HB1 TYR 7 8.886 9.321 10.982 688 HD1 TYR 7 HD1 TYR 7 7.493 11.598 11.177 689 HD2 TYR 7 HD2 TYR 7 9.854 10.454 7.827 690 HE1 TYR 7 HE1 TYR 7 6.202 13.127 9.750 691 HE2 TYR 7 HE2 TYR 7 8.570 11.980 6.389 692 HH TYR 7 HH TYR 7 6.662 14.406 7.545 693 H SER 8 HN SER 8 9.651 9.355 13.519 694 HA SER 8 HA SER 8 12.320 8.381 14.166 695 1HB SER 8 HB2 SER 8 9.703 8.150 15.672 696 2HB SER 8 HB1 SER 8 11.262 7.570 16.256 697 HG SER 8 HG SER 8 12.029 9.712 16.174 698 H ASN 9 HN ASN 9 12.965 6.348 13.855 699 HA ASN 9 HA ASN 9 11.710 4.747 11.955 700 1HB ASN 9 HB2 ASN 9 14.076 4.546 12.337 701 2HB ASN 9 HB1 ASN 9 13.814 4.055 14.008 702 1HD2 ASN 9 HD21 ASN 9 13.271 1.968 14.471 703 2HD2 ASN 9 HD22 ASN 9 13.242 0.700 13.286 704 H GLU 10 HN GLU 10 11.744 4.444 15.480 705 HA GLU 10 HA GLU 10 10.392 2.027 15.737 706 1HB GLU 10 HB2 GLU 10 10.377 4.460 17.531 707 2HB GLU 10 HB1 GLU 10 9.689 2.909 17.986 708 1HG GLU 10 HG2 GLU 10 11.891 3.195 18.948 709 2HG GLU 10 HG1 GLU 10 11.885 1.866 17.792 710 H ARG 11 HN ARG 11 9.123 5.313 15.598 711 HA ARG 11 HA ARG 11 6.402 4.656 15.821 712 1HB ARG 11 HB2 ARG 11 7.077 6.901 16.242 713 2HB ARG 11 HB1 ARG 11 7.848 7.038 14.670 714 1HG ARG 11 HG2 ARG 11 5.726 7.071 13.562 715 2HG ARG 11 HG1 ARG 11 4.883 6.721 15.074 716 1HD ARG 11 HD2 ARG 11 5.398 8.840 15.968 717 2HD ARG 11 HD1 ARG 11 6.608 9.159 14.726 718 HE ARG 11 HE ARG 11 4.901 9.675 13.216 719 1HH1 ARG 11 HH11 ARG 11 3.631 8.794 16.360 720 2HH1 ARG 11 HH12 ARG 11 2.036 9.396 16.021 721 1HH2 ARG 11 HH21 ARG 11 2.841 10.513 12.784 722 2HH2 ARG 11 HH22 ARG 11 1.578 10.357 13.968 723 H VAL 12 HN VAL 12 8.434 5.276 12.962 724 HA VAL 12 HA VAL 12 6.433 5.008 11.023 725 HB VAL 12 HB VAL 12 9.383 4.394 10.772 726 1HG1 VAL 12 HG11 VAL 12 8.151 3.352 8.963 727 2HG1 VAL 12 HG12 VAL 12 9.053 4.743 8.361 728 3HG1 VAL 12 HG13 VAL 12 7.314 4.868 8.628 729 1HG2 VAL 12 HG21 VAL 12 8.946 6.678 11.481 730 2HG2 VAL 12 HG22 VAL 12 7.814 6.894 10.144 731 3HG2 VAL 12 HG23 VAL 12 9.529 6.647 9.817 732 H GLU 13 HN GLU 13 8.700 2.548 12.277 733 HA GLU 13 HA GLU 13 7.717 0.495 10.591 734 1HB GLU 13 HB2 GLU 13 9.250 0.291 13.182 735 2HB GLU 13 HB1 GLU 13 8.941 -1.052 12.090 736 1HG GLU 13 HG2 GLU 13 10.115 0.320 10.313 737 2HG GLU 13 HG1 GLU 13 10.649 1.366 11.628 738 H LYS 14 HN LYS 14 6.744 1.643 13.763 739 HA LYS 14 HA LYS 14 5.133 -0.606 14.397 740 1HB LYS 14 HB2 LYS 14 5.850 1.017 16.115 741 2HB LYS 14 HB1 LYS 14 4.828 2.242 15.368 742 1HG LYS 14 HG2 LYS 14 2.850 0.920 15.854 743 2HG LYS 14 HG1 LYS 14 3.853 -0.353 16.549 744 1HD LYS 14 HD2 LYS 14 4.583 1.151 18.308 745 2HD LYS 14 HD1 LYS 14 3.664 2.475 17.585 746 1HE LYS 14 HE2 LYS 14 1.590 1.239 17.945 747 2HE LYS 14 HE1 LYS 14 2.499 -0.096 18.649 748 1HZ LYS 14 HZ1 LYS 14 2.346 2.661 19.741 749 2HZ LYS 14 HZ2 LYS 14 3.229 1.380 20.416 750 3HZ LYS 14 HZ3 LYS 14 1.536 1.303 20.355 751 H ILE 15 HN ILE 15 4.561 2.384 12.632 752 HA ILE 15 HA ILE 15 1.773 2.108 12.300 753 HB ILE 15 HB ILE 15 3.732 3.344 10.351 754 1HG1 ILE 15 HG12 ILE 15 2.168 4.672 12.573 755 2HG1 ILE 15 HG11 ILE 15 3.874 4.251 12.680 756 1HG2 ILE 15 HG21 ILE 15 1.785 4.680 9.634 757 2HG2 ILE 15 HG22 ILE 15 0.763 3.742 10.724 758 3HG2 ILE 15 HG23 ILE 15 1.550 2.954 9.357 759 1HD1 ILE 15 HD11 ILE 15 3.529 6.611 12.156 760 2HD1 ILE 15 HD12 ILE 15 2.672 6.155 10.684 761 3HD1 ILE 15 HD13 ILE 15 4.384 5.768 10.865 762 H ILE 16 HN ILE 16 4.508 1.064 10.301 763 HA ILE 16 HA ILE 16 3.093 -0.281 8.299 764 HB ILE 16 HB ILE 16 5.785 -1.071 9.433 765 1HG1 ILE 16 HG12 ILE 16 5.224 0.848 7.163 766 2HG1 ILE 16 HG11 ILE 16 5.573 1.362 8.808 767 1HG2 ILE 16 HG21 ILE 16 4.562 -1.513 6.708 768 2HG2 ILE 16 HG22 ILE 16 4.852 -2.743 7.938 769 3HG2 ILE 16 HG23 ILE 16 6.214 -1.928 7.169 770 1HD1 ILE 16 HD11 ILE 16 7.546 1.500 7.408 771 2HD1 ILE 16 HD12 ILE 16 7.412 -0.217 7.030 772 3HD1 ILE 16 HD13 ILE 16 7.762 0.296 8.680 773 H GLN 17 HN GLN 17 4.416 -1.457 11.365 774 HA GLN 17 HA GLN 17 3.621 -4.139 11.127 775 1HB GLN 17 HB2 GLN 17 5.297 -3.359 12.738 776 2HB GLN 17 HB1 GLN 17 4.062 -2.460 13.604 777 1HG GLN 17 HG2 GLN 17 4.622 -4.515 14.755 778 2HG GLN 17 HG1 GLN 17 2.950 -4.536 14.203 779 1HE2 GLN 17 HE21 GLN 17 2.332 -5.987 12.617 780 2HE2 GLN 17 HE22 GLN 17 3.342 -7.302 12.122 781 H ASP 18 HN ASP 18 1.959 -1.298 12.394 782 HA ASP 18 HA ASP 18 -0.235 -2.730 13.514 783 1HB ASP 18 HB2 ASP 18 0.596 -0.345 14.060 784 2HB ASP 18 HB1 ASP 18 -0.326 0.154 12.646 785 H LEU 19 HN LEU 19 0.379 -1.149 10.417 786 HA LEU 19 HA LEU 19 -2.158 -1.556 9.265 787 1HB LEU 19 HB2 LEU 19 0.579 -1.474 7.990 788 2HB LEU 19 HB1 LEU 19 -0.919 -1.497 7.080 789 HG LEU 19 HG LEU 19 -0.137 0.674 9.027 790 1HD1 LEU 19 HD11 LEU 19 -0.014 0.617 6.014 791 2HD1 LEU 19 HD12 LEU 19 1.363 0.657 7.115 792 3HD1 LEU 19 HD13 LEU 19 0.264 2.034 7.026 793 1HD2 LEU 19 HD21 LEU 19 -1.984 1.905 7.971 794 2HD2 LEU 19 HD22 LEU 19 -2.542 0.439 8.778 795 3HD2 LEU 19 HD23 LEU 19 -2.383 0.472 7.022 796 H LEU 20 HN LEU 20 0.763 -3.562 9.279 797 HA LEU 20 HA LEU 20 -0.309 -5.742 7.853 798 1HB LEU 20 HB2 LEU 20 1.875 -5.697 9.943 799 2HB LEU 20 HB1 LEU 20 1.537 -7.047 8.875 800 HG LEU 20 HG LEU 20 2.450 -4.306 7.978 801 1HD1 LEU 20 HD11 LEU 20 4.562 -5.413 7.458 802 2HD1 LEU 20 HD12 LEU 20 3.951 -6.917 8.147 803 3HD1 LEU 20 HD13 LEU 20 4.196 -5.510 9.181 804 1HD2 LEU 20 HD21 LEU 20 2.742 -5.375 5.796 805 2HD2 LEU 20 HD22 LEU 20 1.057 -5.426 6.315 806 3HD2 LEU 20 HD23 LEU 20 2.060 -6.871 6.434 807 H ASP 21 HN ASP 21 -0.455 -4.793 11.202 808 HA ASP 21 HA ASP 21 -1.356 -7.205 12.321 809 1HB ASP 21 HB2 ASP 21 -0.552 -5.180 13.586 810 2HB ASP 21 HB1 ASP 21 -2.105 -4.426 13.238 811 H VAL 22 HN VAL 22 -3.107 -4.465 10.904 812 HA VAL 22 HA VAL 22 -5.710 -5.493 11.337 813 HB VAL 22 HB VAL 22 -4.781 -3.615 9.147 814 1HG1 VAL 22 HG11 VAL 22 -6.966 -4.588 8.653 815 2HG1 VAL 22 HG12 VAL 22 -7.117 -2.879 9.065 816 3HG1 VAL 22 HG13 VAL 22 -7.547 -4.111 10.250 817 1HG2 VAL 22 HG21 VAL 22 -4.238 -2.740 11.345 818 2HG2 VAL 22 HG22 VAL 22 -5.890 -3.030 11.888 819 3HG2 VAL 22 HG23 VAL 22 -5.573 -1.826 10.639 820 H LEU 23 HN LEU 23 -3.322 -5.972 8.815 821 HA LEU 23 HA LEU 23 -5.007 -7.342 6.995 822 1HB LEU 23 HB2 LEU 23 -2.016 -7.519 7.359 823 2HB LEU 23 HB1 LEU 23 -2.905 -8.145 5.982 824 HG LEU 23 HG LEU 23 -2.674 -5.237 6.766 825 1HD1 LEU 23 HD11 LEU 23 -0.612 -6.097 5.842 826 2HD1 LEU 23 HD12 LEU 23 -1.405 -5.044 4.669 827 3HD1 LEU 23 HD13 LEU 23 -1.485 -6.795 4.478 828 1HD2 LEU 23 HD21 LEU 23 -3.823 -4.794 4.642 829 2HD2 LEU 23 HD22 LEU 23 -4.840 -5.691 5.768 830 3HD2 LEU 23 HD23 LEU 23 -4.066 -6.526 4.421 831 H VAL 24 HN VAL 24 -2.963 -8.409 9.673 832 HA VAL 24 HA VAL 24 -3.537 -11.195 9.332 833 HB VAL 24 HB VAL 24 -2.546 -9.731 11.794 834 1HG1 VAL 24 HG11 VAL 24 -1.773 -11.915 12.555 835 2HG1 VAL 24 HG12 VAL 24 -2.464 -12.671 11.119 836 3HG1 VAL 24 HG13 VAL 24 -3.521 -11.919 12.314 837 1HG2 VAL 24 HG21 VAL 24 -0.325 -10.504 11.110 838 2HG2 VAL 24 HG22 VAL 24 -1.049 -9.458 9.886 839 3HG2 VAL 24 HG23 VAL 24 -1.021 -11.205 9.649 840 H LYS 25 HN LYS 25 -4.880 -8.556 11.219 841 HA LYS 25 HA LYS 25 -6.764 -9.790 12.805 842 1HB LYS 25 HB2 LYS 25 -6.407 -7.418 12.903 843 2HB LYS 25 HB1 LYS 25 -6.889 -7.217 11.228 844 1HG LYS 25 HG2 LYS 25 -9.179 -8.106 12.016 845 2HG LYS 25 HG1 LYS 25 -8.590 -7.708 13.634 846 1HD LYS 25 HD2 LYS 25 -8.181 -5.406 12.931 847 2HD LYS 25 HD1 LYS 25 -8.728 -5.797 11.299 848 1HE LYS 25 HE2 LYS 25 -10.929 -6.478 12.353 849 2HE LYS 25 HE1 LYS 25 -10.342 -5.726 13.836 850 1HZ LYS 25 HZ1 LYS 25 -10.031 -3.650 12.508 851 2HZ LYS 25 HZ2 LYS 25 -11.645 -4.133 12.684 852 3HZ LYS 25 HZ3 LYS 25 -10.833 -4.410 11.228 853 H GLU 26 HN GLU 26 -7.053 -8.893 9.388 854 HA GLU 26 HA GLU 26 -9.663 -10.176 9.218 855 1HB GLU 26 HB2 GLU 26 -8.051 -8.623 7.190 856 2HB GLU 26 HB1 GLU 26 -9.641 -9.305 6.879 857 1HG GLU 26 HG2 GLU 26 -8.991 -7.215 8.944 858 2HG GLU 26 HG1 GLU 26 -9.768 -6.934 7.385 859 H GLU 27 HN GLU 27 -6.482 -11.108 8.899 860 HA GLU 27 HA GLU 27 -5.368 -12.835 7.916 861 1HB GLU 27 HB2 GLU 27 -8.111 -14.098 7.736 862 2HB GLU 27 HB1 GLU 27 -6.567 -14.939 7.710 863 1HG GLU 27 HG2 GLU 27 -6.139 -14.200 10.007 864 2HG GLU 27 HG1 GLU 27 -7.703 -13.386 10.027 865 H VAL 28 HN VAL 28 -5.787 -10.830 6.229 866 HA VAL 28 HA VAL 28 -7.391 -11.328 3.973 867 HB VAL 28 HB VAL 28 -6.184 -9.492 2.894 868 1HG1 VAL 28 HG11 VAL 28 -7.969 -8.961 4.456 869 2HG1 VAL 28 HG12 VAL 28 -6.698 -7.741 4.533 870 3HG1 VAL 28 HG13 VAL 28 -6.820 -8.968 5.794 871 1HG2 VAL 28 HG21 VAL 28 -3.931 -10.020 3.670 872 2HG2 VAL 28 HG22 VAL 28 -4.386 -9.576 5.314 873 3HG2 VAL 28 HG23 VAL 28 -4.355 -8.350 4.047 874 H THR 29 HN THR 29 -6.879 -11.916 1.894 875 HA THR 29 HA THR 29 -4.504 -13.562 1.517 876 HB THR 29 HB THR 29 -5.613 -14.027 -0.721 877 HG1 THR 29 HG1 THR 29 -7.993 -13.452 -0.530 878 1HG2 THR 29 HG21 THR 29 -7.354 -15.483 0.221 879 2HG2 THR 29 HG22 THR 29 -7.216 -14.641 1.766 880 3HG2 THR 29 HG23 THR 29 -5.857 -15.580 1.148 881 HA PRO 30 HA PRO 30 -2.144 -10.693 -0.975 882 1HB PRO 30 HB2 PRO 30 -2.674 -12.411 -3.353 883 2HB PRO 30 HB1 PRO 30 -1.144 -11.763 -2.753 884 1HG PRO 30 HG2 PRO 30 -1.774 -14.320 -2.365 885 2HG PRO 30 HG1 PRO 30 -0.950 -13.385 -1.103 886 1HD PRO 30 HD2 PRO 30 -3.796 -14.251 -1.276 887 2HD PRO 30 HD1 PRO 30 -2.759 -14.052 0.151 888 H ASP 31 HN ASP 31 -4.963 -12.003 -2.709 889 HA ASP 31 HA ASP 31 -5.478 -9.880 -4.440 890 1HB ASP 31 HB2 ASP 31 -7.605 -11.530 -3.060 891 2HB ASP 31 HB1 ASP 31 -7.728 -10.721 -4.617 892 H LEU 32 HN LEU 32 -6.864 -10.535 -1.250 893 HA LEU 32 HA LEU 32 -8.461 -8.204 -1.181 894 1HB LEU 32 HB2 LEU 32 -8.917 -10.294 0.076 895 2HB LEU 32 HB1 LEU 32 -7.541 -9.948 1.102 896 HG LEU 32 HG LEU 32 -8.655 -7.925 1.929 897 1HD1 LEU 32 HD11 LEU 32 -10.977 -8.839 0.236 898 2HD1 LEU 32 HD12 LEU 32 -9.984 -7.411 -0.057 899 3HD1 LEU 32 HD13 LEU 32 -10.991 -7.503 1.387 900 1HD2 LEU 32 HD21 LEU 32 -10.339 -10.418 2.117 901 2HD2 LEU 32 HD22 LEU 32 -10.402 -9.046 3.223 902 3HD2 LEU 32 HD23 LEU 32 -8.943 -10.031 3.121 903 H ALA 33 HN ALA 33 -5.270 -8.994 0.116 904 HA ALA 33 HA ALA 33 -4.972 -6.734 1.765 905 1HB ALA 33 HB1 ALA 33 -2.588 -7.239 1.729 906 2HB ALA 33 HB2 ALA 33 -2.830 -8.326 0.361 907 3HB ALA 33 HB3 ALA 33 -3.539 -8.711 1.929 908 H LEU 34 HN LEU 34 -3.729 -7.328 -1.527 909 HA LEU 34 HA LEU 34 -2.563 -4.770 -1.791 910 1HB LEU 34 HB2 LEU 34 -3.430 -6.723 -3.919 911 2HB LEU 34 HB1 LEU 34 -2.409 -5.325 -4.195 912 HG LEU 34 HG LEU 34 -1.711 -7.698 -2.462 913 1HD1 LEU 34 HD11 LEU 34 -0.689 -6.855 -5.167 914 2HD1 LEU 34 HD12 LEU 34 -1.720 -8.243 -4.828 915 3HD1 LEU 34 HD13 LEU 34 -0.072 -8.196 -4.203 916 1HD2 LEU 34 HD21 LEU 34 0.514 -6.686 -2.340 917 2HD2 LEU 34 HD22 LEU 34 -0.709 -5.635 -1.628 918 3HD2 LEU 34 HD23 LEU 34 -0.072 -5.284 -3.234 919 H MET 35 HN MET 35 -5.747 -6.024 -2.589 920 HA MET 35 HA MET 35 -6.613 -3.869 -4.179 921 1HB MET 35 HB2 MET 35 -7.777 -6.032 -4.095 922 2HB MET 35 HB1 MET 35 -8.245 -5.718 -2.430 923 1HG MET 35 HG2 MET 35 -9.622 -3.870 -3.113 924 2HG MET 35 HG1 MET 35 -9.064 -4.029 -4.778 925 1HE MET 35 HE1 MET 35 -11.591 -7.262 -2.664 926 2HE MET 35 HE2 MET 35 -11.027 -5.794 -1.864 927 3HE MET 35 HE3 MET 35 -9.869 -7.026 -2.365 928 H CYS 36 HN CYS 36 -7.007 -4.488 -0.690 929 HA CYS 36 HA CYS 36 -8.366 -2.038 -0.212 930 1HB CYS 36 HB2 CYS 36 -6.918 -3.894 1.680 931 2HB CYS 36 HB1 CYS 36 -7.918 -2.536 2.186 932 HG CYS 36 HG CYS 36 -10.277 -3.612 1.736 933 H LEU 37 HN LEU 37 -4.974 -3.039 0.058 934 HA LEU 37 HA LEU 37 -4.005 -0.663 1.212 935 1HB LEU 37 HB2 LEU 37 -2.660 -2.706 -0.550 936 2HB LEU 37 HB1 LEU 37 -1.803 -1.357 0.171 937 HG LEU 37 HG LEU 37 -3.235 -3.530 1.710 938 1HD1 LEU 37 HD11 LEU 37 -1.236 -4.354 0.568 939 2HD1 LEU 37 HD12 LEU 37 -1.004 -4.293 2.316 940 3HD1 LEU 37 HD13 LEU 37 -0.286 -3.051 1.288 941 1HD2 LEU 37 HD21 LEU 37 -1.476 -1.264 2.650 942 2HD2 LEU 37 HD22 LEU 37 -2.132 -2.550 3.663 943 3HD2 LEU 37 HD23 LEU 37 -3.220 -1.396 2.890 944 H GLY 38 HN GLY 38 -4.363 -1.635 -2.180 945 1HA GLY 38 HA2 GLY 38 -3.151 0.595 -3.360 946 2HA GLY 38 HA1 GLY 38 -4.384 -0.403 -4.115 947 H ASN 39 HN ASN 39 -6.540 0.086 -2.449 948 HA ASN 39 HA ASN 39 -7.470 2.558 -3.466 949 1HB ASN 39 HB2 ASN 39 -8.572 0.573 -1.509 950 2HB ASN 39 HB1 ASN 39 -9.361 2.131 -1.725 951 1HD2 ASN 39 HD21 ASN 39 -8.607 -0.932 -3.190 952 2HD2 ASN 39 HD22 ASN 39 -9.697 -0.777 -4.531 953 H ALA 40 HN ALA 40 -6.065 1.614 -0.403 954 HA ALA 40 HA ALA 40 -6.667 4.009 0.993 955 1HB ALA 40 HB1 ALA 40 -4.932 3.290 2.571 956 2HB ALA 40 HB2 ALA 40 -4.427 2.037 1.439 957 3HB ALA 40 HB3 ALA 40 -6.030 1.969 2.169 958 H VAL 41 HN VAL 41 -3.897 2.931 -0.937 959 HA VAL 41 HA VAL 41 -2.271 5.194 -0.453 960 HB VAL 41 HB VAL 41 -2.239 3.351 -2.856 961 1HG1 VAL 41 HG11 VAL 41 -1.036 5.411 -3.293 962 2HG1 VAL 41 HG12 VAL 41 0.093 4.069 -3.107 963 3HG1 VAL 41 HG13 VAL 41 -0.129 5.222 -1.791 964 1HG2 VAL 41 HG21 VAL 41 -0.668 3.221 -0.287 965 2HG2 VAL 41 HG22 VAL 41 -0.459 2.162 -1.682 966 3HG2 VAL 41 HG23 VAL 41 -1.966 2.129 -0.766 967 H THR 42 HN THR 42 -4.537 4.393 -3.068 968 HA THR 42 HA THR 42 -3.949 6.705 -4.602 969 HB THR 42 HB THR 42 -4.996 4.621 -5.517 970 HG1 THR 42 HG1 THR 42 -5.371 6.025 -7.043 971 1HG2 THR 42 HG21 THR 42 -6.668 4.245 -3.765 972 2HG2 THR 42 HG22 THR 42 -7.419 4.347 -5.357 973 3HG2 THR 42 HG23 THR 42 -7.509 5.717 -4.250 974 H ASN 43 HN ASN 43 -5.969 6.163 -1.851 975 HA ASN 43 HA ASN 43 -7.674 8.430 -2.259 976 1HB ASN 43 HB2 ASN 43 -8.233 6.416 -0.820 977 2HB ASN 43 HB1 ASN 43 -7.099 7.052 0.369 978 1HD2 ASN 43 HD21 ASN 43 -8.636 7.401 1.928 979 2HD2 ASN 43 HD22 ASN 43 -9.858 8.621 1.799 980 H ILE 44 HN ILE 44 -4.715 7.780 -0.452 981 HA ILE 44 HA ILE 44 -4.550 10.333 0.792 982 HB ILE 44 HB ILE 44 -2.345 8.358 0.170 983 1HG1 ILE 44 HG12 ILE 44 -4.088 7.390 1.585 984 2HG1 ILE 44 HG11 ILE 44 -2.615 7.648 2.512 985 1HG2 ILE 44 HG21 ILE 44 -2.371 10.683 2.089 986 2HG2 ILE 44 HG22 ILE 44 -1.446 10.578 0.592 987 3HG2 ILE 44 HG23 ILE 44 -1.078 9.494 1.933 988 1HD1 ILE 44 HD11 ILE 44 -3.577 9.655 3.497 989 2HD1 ILE 44 HD12 ILE 44 -4.600 8.246 3.785 990 3HD1 ILE 44 HD13 ILE 44 -5.045 9.422 2.548 991 H ILE 45 HN ILE 45 -3.226 8.952 -2.174 992 HA ILE 45 HA ILE 45 -1.659 11.183 -2.928 993 HB ILE 45 HB ILE 45 -2.847 8.982 -4.631 994 1HG1 ILE 45 HG12 ILE 45 -0.102 9.304 -3.394 995 2HG1 ILE 45 HG11 ILE 45 -1.349 8.188 -2.851 996 1HG2 ILE 45 HG21 ILE 45 -2.259 10.862 -6.032 997 2HG2 ILE 45 HG22 ILE 45 -1.086 9.565 -6.258 998 3HG2 ILE 45 HG23 ILE 45 -0.670 10.967 -5.273 999 1HD1 ILE 45 HD11 ILE 45 0.038 8.120 -5.517 1000 2HD1 ILE 45 HD12 ILE 45 -1.206 6.996 -4.972 1001 3HD1 ILE 45 HD13 ILE 45 0.354 7.052 -4.150 1002 H ALA 46 HN ALA 46 -5.038 10.529 -3.129 1003 HA ALA 46 HA ALA 46 -5.569 12.478 -5.191 1004 1HB ALA 46 HB1 ALA 46 -7.481 11.071 -3.333 1005 2HB ALA 46 HB2 ALA 46 -6.996 10.503 -4.930 1006 3HB ALA 46 HB3 ALA 46 -7.915 12.000 -4.769 1007 H GLN 47 HN GLN 47 -4.655 12.780 -2.053 1008 HA GLN 47 HA GLN 47 -6.393 15.073 -1.490 1009 1HB GLN 47 HB2 GLN 47 -4.413 13.633 0.284 1010 2HB GLN 47 HB1 GLN 47 -5.446 14.965 0.786 1011 1HG GLN 47 HG2 GLN 47 -7.423 13.626 0.365 1012 2HG GLN 47 HG1 GLN 47 -6.417 12.299 -0.214 1013 1HE2 GLN 47 HE21 GLN 47 -7.182 10.887 1.323 1014 2HE2 GLN 47 HE22 GLN 47 -6.758 11.000 2.999 1015 H VAL 48 HN VAL 48 -3.302 14.341 -2.674 1016 HA VAL 48 HA VAL 48 -2.173 16.911 -1.854 1017 HB VAL 48 HB VAL 48 -0.069 16.135 -2.814 1018 1HG1 VAL 48 HG11 VAL 48 0.350 14.207 -1.329 1019 2HG1 VAL 48 HG12 VAL 48 -1.386 14.084 -1.043 1020 3HG1 VAL 48 HG13 VAL 48 -0.506 15.523 -0.524 1021 1HG2 VAL 48 HG21 VAL 48 -1.579 13.647 -3.601 1022 2HG2 VAL 48 HG22 VAL 48 0.167 13.867 -3.721 1023 3HG2 VAL 48 HG23 VAL 48 -0.917 14.856 -4.700 1024 HA PRO 49 HA PRO 49 -2.933 19.145 -5.605 1025 1HB PRO 49 HB2 PRO 49 -0.316 20.030 -6.099 1026 2HB PRO 49 HB1 PRO 49 -1.538 20.869 -5.142 1027 1HG PRO 49 HG2 PRO 49 0.714 19.142 -4.246 1028 2HG PRO 49 HG1 PRO 49 0.019 20.580 -3.475 1029 1HD PRO 49 HD2 PRO 49 -0.489 18.117 -2.552 1030 2HD PRO 49 HD1 PRO 49 -1.736 19.381 -2.541 1031 H GLU 50 HN GLU 50 -2.849 18.809 -7.797 1032 HA GLU 50 HA GLU 50 -2.082 16.220 -8.598 1033 1HB GLU 50 HB2 GLU 50 -2.827 18.557 -10.354 1034 2HB GLU 50 HB1 GLU 50 -2.825 16.863 -10.828 1035 1HG GLU 50 HG2 GLU 50 -4.499 16.505 -8.949 1036 2HG GLU 50 HG1 GLU 50 -4.651 18.261 -8.907 1037 H SER 51 HN SER 51 -0.410 19.252 -8.714 1038 HA SER 51 HA SER 51 1.478 18.779 -10.701 1039 1HB SER 51 HB2 SER 51 1.183 20.930 -9.477 1040 2HB SER 51 HB1 SER 51 1.944 20.201 -8.067 1041 HG SER 51 HG SER 51 3.106 21.381 -10.141 1042 H LYS 52 HN LYS 52 1.514 17.816 -7.288 1043 HA LYS 52 HA LYS 52 3.976 16.300 -7.746 1044 1HB LYS 52 HB2 LYS 52 4.028 15.990 -5.316 1045 2HB LYS 52 HB1 LYS 52 3.902 17.694 -5.729 1046 1HG LYS 52 HG2 LYS 52 1.626 17.773 -5.109 1047 2HG LYS 52 HG1 LYS 52 1.516 16.015 -5.020 1048 1HD LYS 52 HD2 LYS 52 1.612 16.960 -2.791 1049 2HD LYS 52 HD1 LYS 52 3.075 16.032 -3.121 1050 1HE LYS 52 HE2 LYS 52 4.291 18.083 -3.591 1051 2HE LYS 52 HE1 LYS 52 2.825 19.031 -3.330 1052 1HZ LYS 52 HZ1 LYS 52 4.273 19.027 -1.376 1053 2HZ LYS 52 HZ2 LYS 52 4.161 17.339 -1.283 1054 3HZ LYS 52 HZ3 LYS 52 2.782 18.293 -1.041 1055 H ARG 53 HN ARG 53 0.628 15.891 -7.683 1056 HA ARG 53 HA ARG 53 0.278 13.432 -6.425 1057 1HB ARG 53 HB2 ARG 53 -1.550 14.953 -7.082 1058 2HB ARG 53 HB1 ARG 53 -1.269 14.545 -8.769 1059 1HG ARG 53 HG2 ARG 53 -1.906 12.247 -8.347 1060 2HG ARG 53 HG1 ARG 53 -2.109 12.601 -6.630 1061 1HD ARG 53 HD2 ARG 53 -3.679 13.840 -8.885 1062 2HD ARG 53 HD1 ARG 53 -4.257 12.566 -7.811 1063 HE ARG 53 HE ARG 53 -3.458 14.673 -6.188 1064 1HH1 ARG 53 HH11 ARG 53 -5.839 14.095 -8.678 1065 2HH1 ARG 53 HH12 ARG 53 -6.964 15.271 -8.078 1066 1HH2 ARG 53 HH21 ARG 53 -4.943 16.206 -5.353 1067 2HH2 ARG 53 HH22 ARG 53 -6.460 16.452 -6.156 1068 H VAL 54 HN VAL 54 1.058 14.144 -9.808 1069 HA VAL 54 HA VAL 54 0.987 11.429 -10.656 1070 HB VAL 54 HB VAL 54 2.460 13.749 -11.918 1071 1HG1 VAL 54 HG11 VAL 54 2.346 12.446 -13.976 1072 2HG1 VAL 54 HG12 VAL 54 1.545 11.132 -13.113 1073 3HG1 VAL 54 HG13 VAL 54 3.210 11.560 -12.720 1074 1HG2 VAL 54 HG21 VAL 54 0.071 14.217 -11.637 1075 2HG2 VAL 54 HG22 VAL 54 -0.319 12.711 -12.468 1076 3HG2 VAL 54 HG23 VAL 54 0.494 14.013 -13.338 1077 H ALA 55 HN ALA 55 3.440 13.521 -9.304 1078 HA ALA 55 HA ALA 55 5.648 11.827 -9.947 1079 1HB ALA 55 HB1 ALA 55 5.488 14.065 -7.934 1080 2HB ALA 55 HB2 ALA 55 5.899 14.247 -9.640 1081 3HB ALA 55 HB3 ALA 55 6.961 13.332 -8.570 1082 H VAL 56 HN VAL 56 3.678 12.348 -7.031 1083 HA VAL 56 HA VAL 56 5.327 10.794 -5.343 1084 HB VAL 56 HB VAL 56 3.436 10.745 -3.756 1085 1HG1 VAL 56 HG11 VAL 56 3.325 13.167 -3.383 1086 2HG1 VAL 56 HG12 VAL 56 3.991 13.436 -4.993 1087 3HG1 VAL 56 HG13 VAL 56 4.962 12.630 -3.760 1088 1HG2 VAL 56 HG21 VAL 56 1.604 10.588 -5.380 1089 2HG2 VAL 56 HG22 VAL 56 1.926 12.245 -5.892 1090 3HG2 VAL 56 HG23 VAL 56 1.370 11.921 -4.248 1091 H VAL 57 HN VAL 57 2.552 9.921 -7.375 1092 HA VAL 57 HA VAL 57 2.474 7.242 -6.338 1093 HB VAL 57 HB VAL 57 0.432 8.173 -7.288 1094 1HG1 VAL 57 HG11 VAL 57 0.176 8.527 -9.691 1095 2HG1 VAL 57 HG12 VAL 57 1.889 8.183 -9.927 1096 3HG1 VAL 57 HG13 VAL 57 1.393 9.604 -9.007 1097 1HG2 VAL 57 HG21 VAL 57 1.441 5.880 -8.963 1098 2HG2 VAL 57 HG22 VAL 57 -0.246 6.302 -8.664 1099 3HG2 VAL 57 HG23 VAL 57 0.772 5.744 -7.337 1100 H ASP 58 HN ASP 58 4.020 8.864 -9.035 1101 HA ASP 58 HA ASP 58 4.937 6.548 -10.380 1102 1HB ASP 58 HB2 ASP 58 4.931 8.847 -11.346 1103 2HB ASP 58 HB1 ASP 58 6.258 9.256 -10.266 1104 H ASN 59 HN ASN 59 6.381 8.615 -7.896 1105 HA ASN 59 HA ASN 59 8.769 7.063 -7.711 1106 1HB ASN 59 HB2 ASN 59 7.573 9.200 -5.952 1107 2HB ASN 59 HB1 ASN 59 9.076 8.376 -5.542 1108 1HD2 ASN 59 HD21 ASN 59 8.572 11.181 -6.173 1109 2HD2 ASN 59 HD22 ASN 59 9.608 11.567 -7.506 1110 H PHE 60 HN PHE 60 5.650 6.976 -6.125 1111 HA PHE 60 HA PHE 60 6.302 5.192 -4.036 1112 1HB PHE 60 HB2 PHE 60 4.107 6.442 -4.335 1113 2HB PHE 60 HB1 PHE 60 3.693 5.249 -5.568 1114 HD1 PHE 60 HD2 PHE 60 4.519 5.632 -1.977 1115 HD2 PHE 60 HD1 PHE 60 2.779 3.186 -4.990 1116 HE1 PHE 60 HE2 PHE 60 3.617 4.139 -0.242 1117 HE2 PHE 60 HE1 PHE 60 1.872 1.691 -3.261 1118 HZ PHE 60 HZ PHE 60 2.293 2.167 -0.882 1119 H THR 61 HN THR 61 4.965 4.621 -7.260 1120 HA THR 61 HA THR 61 5.087 1.809 -7.147 1121 HB THR 61 HB THR 61 4.875 1.972 -9.665 1122 HG1 THR 61 HG1 THR 61 4.556 4.757 -9.165 1123 1HG2 THR 61 HG21 THR 61 2.930 3.532 -7.962 1124 2HG2 THR 61 HG22 THR 61 2.924 1.787 -8.230 1125 3HG2 THR 61 HG23 THR 61 2.588 2.886 -9.569 1126 H LYS 62 HN LYS 62 7.294 4.261 -8.419 1127 HA LYS 62 HA LYS 62 9.322 2.642 -9.421 1128 1HB LYS 62 HB2 LYS 62 9.074 5.176 -9.439 1129 2HB LYS 62 HB1 LYS 62 9.755 5.156 -7.823 1130 1HG LYS 62 HG2 LYS 62 11.838 4.340 -8.626 1131 2HG LYS 62 HG1 LYS 62 11.167 4.053 -10.238 1132 1HD LYS 62 HD2 LYS 62 11.510 6.727 -8.875 1133 2HD LYS 62 HD1 LYS 62 12.437 6.118 -10.252 1134 1HE LYS 62 HE2 LYS 62 10.624 6.288 -11.704 1135 2HE LYS 62 HE1 LYS 62 9.452 6.318 -10.391 1136 1HZ LYS 62 HZ1 LYS 62 9.580 8.474 -11.306 1137 2HZ LYS 62 HZ2 LYS 62 11.278 8.505 -11.220 1138 3HZ LYS 62 HZ3 LYS 62 10.352 8.542 -9.796 1139 H ALA 63 HN ALA 63 8.832 3.786 -6.089 1140 HA ALA 63 HA ALA 63 11.159 2.546 -5.038 1141 1HB ALA 63 HB1 ALA 63 8.675 3.494 -3.614 1142 2HB ALA 63 HB2 ALA 63 10.115 4.455 -3.945 1143 3HB ALA 63 HB3 ALA 63 10.207 3.080 -2.845 1144 H LEU 64 HN LEU 64 7.817 1.505 -5.402 1145 HA LEU 64 HA LEU 64 7.895 -0.782 -3.802 1146 1HB LEU 64 HB2 LEU 64 6.367 -0.129 -6.309 1147 2HB LEU 64 HB1 LEU 64 6.182 -1.672 -5.498 1148 HG LEU 64 HG LEU 64 5.648 1.002 -4.195 1149 1HD1 LEU 64 HD11 LEU 64 3.719 -1.008 -5.341 1150 2HD1 LEU 64 HD12 LEU 64 4.079 0.584 -6.012 1151 3HD1 LEU 64 HD13 LEU 64 3.292 0.447 -4.440 1152 1HD2 LEU 64 HD21 LEU 64 6.255 -0.745 -2.613 1153 2HD2 LEU 64 HD22 LEU 64 5.054 -1.825 -3.323 1154 3HD2 LEU 64 HD23 LEU 64 4.538 -0.361 -2.484 1155 H LYS 65 HN LYS 65 8.666 -0.429 -7.264 1156 HA LYS 65 HA LYS 65 9.465 -3.074 -7.707 1157 1HB LYS 65 HB2 LYS 65 10.149 -0.472 -9.035 1158 2HB LYS 65 HB1 LYS 65 10.924 -1.967 -9.544 1159 1HG LYS 65 HG2 LYS 65 8.850 -2.920 -10.199 1160 2HG LYS 65 HG1 LYS 65 7.939 -1.613 -9.438 1161 1HD LYS 65 HD2 LYS 65 8.654 -0.046 -11.064 1162 2HD LYS 65 HD1 LYS 65 9.885 -1.146 -11.685 1163 1HE LYS 65 HE2 LYS 65 6.932 -1.718 -11.812 1164 2HE LYS 65 HE1 LYS 65 7.815 -0.900 -13.102 1165 1HZ LYS 65 HZ1 LYS 65 9.258 -2.856 -13.274 1166 2HZ LYS 65 HZ2 LYS 65 7.633 -3.250 -13.568 1167 3HZ LYS 65 HZ3 LYS 65 8.341 -3.645 -12.085 1168 H GLN 66 HN GLN 66 11.319 -0.267 -6.601 1169 HA GLN 66 HA GLN 66 13.857 -1.465 -6.571 1170 1HB GLN 66 HB2 GLN 66 12.722 0.736 -4.840 1171 2HB GLN 66 HB1 GLN 66 14.422 0.297 -4.883 1172 1HG GLN 66 HG2 GLN 66 14.532 0.896 -7.238 1173 2HG GLN 66 HG1 GLN 66 12.818 1.305 -7.220 1174 1HE2 GLN 66 HE21 GLN 66 13.218 3.430 -7.824 1175 2HE2 GLN 66 HE22 GLN 66 13.898 4.588 -6.734 1176 H SER 67 HN SER 67 11.371 -1.267 -4.047 1177 HA SER 67 HA SER 67 13.016 -2.531 -2.086 1178 1HB SER 67 HB2 SER 67 10.838 -2.599 -0.771 1179 2HB SER 67 HB1 SER 67 11.401 -1.004 -1.265 1180 HG SER 67 HG SER 67 9.873 -0.954 -2.860 1181 H VAL 68 HN VAL 68 10.632 -3.663 -4.392 1182 HA VAL 68 HA VAL 68 10.279 -6.230 -3.215 1183 HB VAL 68 HB VAL 68 9.712 -5.181 -5.988 1184 1HG1 VAL 68 HG11 VAL 68 9.050 -7.921 -4.909 1185 2HG1 VAL 68 HG12 VAL 68 10.218 -7.571 -6.183 1186 3HG1 VAL 68 HG13 VAL 68 8.503 -7.253 -6.447 1187 1HG2 VAL 68 HG21 VAL 68 7.935 -5.996 -3.690 1188 2HG2 VAL 68 HG22 VAL 68 7.378 -5.435 -5.266 1189 3HG2 VAL 68 HG23 VAL 68 8.279 -4.347 -4.211 1190 H LEU 69 HN LEU 69 12.609 -4.891 -5.452 1191 HA LEU 69 HA LEU 69 13.618 -7.280 -6.516 1192 1HB LEU 69 HB2 LEU 69 14.912 -4.598 -6.075 1193 2HB LEU 69 HB1 LEU 69 15.719 -5.919 -6.898 1194 HG LEU 69 HG LEU 69 13.141 -4.631 -7.803 1195 1HD1 LEU 69 HD11 LEU 69 15.050 -3.128 -8.028 1196 2HD1 LEU 69 HD12 LEU 69 14.492 -3.685 -9.605 1197 3HD1 LEU 69 HD13 LEU 69 15.946 -4.380 -8.887 1198 1HD2 LEU 69 HD21 LEU 69 13.286 -6.971 -8.444 1199 2HD2 LEU 69 HD22 LEU 69 14.896 -6.707 -9.111 1200 3HD2 LEU 69 HD23 LEU 69 13.497 -5.930 -9.853 1201 H GLU 70 HN GLU 70 14.843 -5.366 -3.757 1202 HA GLU 70 HA GLU 70 16.496 -7.663 -3.019 1203 1HB GLU 70 HB2 GLU 70 16.607 -4.790 -2.132 1204 2HB GLU 70 HB1 GLU 70 17.611 -6.060 -1.449 1205 1HG GLU 70 HG2 GLU 70 18.446 -6.473 -3.801 1206 2HG GLU 70 HG1 GLU 70 17.649 -4.961 -4.236 1207 H HIS 71 HN HIS 71 14.447 -5.268 -1.470 1208 HA HIS 71 HA HIS 71 13.065 -5.308 0.326 1209 1HB HIS 71 HB2 HIS 71 12.209 -7.440 -0.672 1210 2HB HIS 71 HB1 HIS 71 13.357 -8.321 0.330 1211 HD1 HIS 71 HD1 HIS 71 12.588 -8.938 2.633 1212 HD2 HIS 71 HD2 HIS 71 10.224 -5.978 0.901 1213 HE1 HIS 71 HE1 HIS 71 10.653 -8.605 4.205 1214 HE2 HIS 71 HE2 HIS 71 9.325 -6.704 3.223 1215 H HIS 72 HN HIS 72 16.174 -6.640 0.394 1216 HA HIS 72 HA HIS 72 16.398 -6.875 3.252 1217 1HB HIS 72 HB2 HIS 72 18.552 -6.731 1.128 1218 2HB HIS 72 HB1 HIS 72 18.818 -7.140 2.819 1219 HD1 HIS 72 HD1 HIS 72 18.713 -8.763 -0.248 1220 HD2 HIS 72 HD2 HIS 72 16.879 -9.506 3.415 1221 HE1 HIS 72 HE1 HIS 72 18.078 -11.204 -0.282 1222 HE2 HIS 72 HE2 HIS 72 16.867 -11.595 1.898 1223 H HIS 73 HN HIS 73 17.152 -4.506 0.782 1224 HA HIS 73 HA HIS 73 17.513 -2.477 2.877 1225 1HB HIS 73 HB2 HIS 73 19.134 -2.491 0.322 1226 2HB HIS 73 HB1 HIS 73 19.339 -1.443 1.714 1227 HD1 HIS 73 HD1 HIS 73 20.022 -2.959 4.003 1228 HD2 HIS 73 HD2 HIS 73 20.968 -4.440 0.232 1229 HE1 HIS 73 HE1 HIS 73 21.881 -4.610 4.366 1230 HE2 HIS 73 HE2 HIS 73 22.573 -5.337 2.055 1231 H HIS 74 HN HIS 74 16.762 -0.385 2.258 1232 HA HIS 74 HA HIS 74 15.114 -0.361 -0.153 1233 1HB HIS 74 HB2 HIS 74 14.490 1.986 0.609 1234 2HB HIS 74 HB1 HIS 74 13.965 0.668 1.642 1235 HD1 HIS 74 HD1 HIS 74 16.913 3.097 1.521 1236 HD2 HIS 74 HD2 HIS 74 14.429 1.172 4.238 1237 HE1 HIS 74 HE1 HIS 74 17.560 3.993 3.779 1238 HE2 HIS 74 HE2 HIS 74 15.878 2.993 5.368 1239 H HIS 75 HN HIS 75 17.189 -0.749 -1.249 1240 HA HIS 75 HA HIS 75 19.084 1.425 -1.396 1241 1HB HIS 75 HB2 HIS 75 19.850 -0.900 -1.359 1242 2HB HIS 75 HB1 HIS 75 18.940 -1.240 -2.823 1243 HD1 HIS 75 HD1 HIS 75 21.990 0.640 -1.627 1244 HD2 HIS 75 HD2 HIS 75 20.250 -0.662 -5.176 1245 HE1 HIS 75 HE1 HIS 75 23.722 1.011 -3.409 1246 HE2 HIS 75 HE2 HIS 75 22.684 0.140 -5.532 1247 H HIS 76 HN HIS 76 19.497 2.703 -3.167 1248 HA HIS 76 HA HIS 76 17.422 2.668 -5.261 1249 1HB HIS 76 HB2 HIS 76 19.092 5.043 -4.418 1250 2HB HIS 76 HB1 HIS 76 17.689 5.053 -5.478 1251 HD1 HIS 76 HD1 HIS 76 15.427 4.016 -4.077 1252 HD2 HIS 76 HD2 HIS 76 18.474 5.895 -1.961 1253 HE1 HIS 76 HE1 HIS 76 14.404 4.714 -1.887 1254 HE2 HIS 76 HE2 HIS 76 16.215 6.021 -0.712 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -19.517 -24.330 -14.370 2 2H MET 1 HT2 MET 1 -19.152 -23.057 -15.427 3 3H MET 1 HT3 MET 1 -20.766 -23.395 -15.042 4 HA MET 1 HA MET 1 -20.030 -21.460 -13.847 5 1HB MET 1 HB2 MET 1 -20.339 -23.921 -12.112 6 2HB MET 1 HB1 MET 1 -20.459 -22.271 -11.523 7 1HG MET 1 HG2 MET 1 -22.407 -21.884 -12.901 8 2HG MET 1 HG1 MET 1 -22.261 -23.496 -13.601 9 1HE MET 1 HE1 MET 1 -24.809 -23.988 -12.989 10 2HE MET 1 HE2 MET 1 -24.944 -22.369 -12.301 11 3HE MET 1 HE3 MET 1 -25.481 -23.770 -11.373 12 HA PRO 2 HA PRO 2 -15.680 -21.650 -12.793 13 1HB PRO 2 HB2 PRO 2 -15.730 -18.822 -12.383 14 2HB PRO 2 HB1 PRO 2 -15.121 -19.694 -13.790 15 1HG PRO 2 HG2 PRO 2 -17.337 -18.039 -13.791 16 2HG PRO 2 HG1 PRO 2 -17.012 -19.303 -14.989 17 1HD PRO 2 HD2 PRO 2 -18.814 -19.367 -12.602 18 2HD PRO 2 HD1 PRO 2 -19.056 -20.065 -14.219 19 H ILE 3 HN ILE 3 -14.348 -20.754 -10.935 20 HA ILE 3 HA ILE 3 -15.906 -20.925 -8.478 21 HB ILE 3 HB ILE 3 -12.929 -20.897 -8.999 22 1HG1 ILE 3 HG12 ILE 3 -13.097 -23.113 -7.779 23 2HG1 ILE 3 HG11 ILE 3 -14.845 -22.951 -7.875 24 1HG2 ILE 3 HG21 ILE 3 -12.582 -21.146 -6.585 25 2HG2 ILE 3 HG22 ILE 3 -14.306 -20.888 -6.317 26 3HG2 ILE 3 HG23 ILE 3 -13.314 -19.593 -6.986 27 1HD1 ILE 3 HD11 ILE 3 -12.943 -23.142 -10.199 28 2HD1 ILE 3 HD12 ILE 3 -14.692 -22.945 -10.319 29 3HD1 ILE 3 HD13 ILE 3 -14.016 -24.412 -9.610 30 H VAL 4 HN VAL 4 -16.754 -19.165 -7.648 31 HA VAL 4 HA VAL 4 -16.116 -16.552 -8.491 32 HB VAL 4 HB VAL 4 -17.585 -15.792 -6.640 33 1HG1 VAL 4 HG11 VAL 4 -18.534 -16.391 -8.800 34 2HG1 VAL 4 HG12 VAL 4 -19.634 -16.827 -7.493 35 3HG1 VAL 4 HG13 VAL 4 -18.672 -18.073 -8.289 36 1HG2 VAL 4 HG21 VAL 4 -17.733 -18.734 -5.982 37 2HG2 VAL 4 HG22 VAL 4 -18.769 -17.482 -5.298 38 3HG2 VAL 4 HG23 VAL 4 -17.036 -17.468 -4.972 39 H SER 5 HN SER 5 -15.295 -14.793 -7.259 40 HA SER 5 HA SER 5 -13.583 -15.430 -4.990 41 1HB SER 5 HB2 SER 5 -12.523 -14.201 -7.551 42 2HB SER 5 HB1 SER 5 -11.599 -14.473 -6.074 43 HG SER 5 HG SER 5 -12.604 -16.789 -6.601 44 H LYS 6 HN LYS 6 -12.126 -12.992 -5.104 45 HA LYS 6 HA LYS 6 -12.181 -10.717 -5.038 46 1HB LYS 6 HB2 LYS 6 -13.943 -10.845 -6.867 47 2HB LYS 6 HB1 LYS 6 -15.148 -10.747 -5.593 48 1HG LYS 6 HG2 LYS 6 -14.775 -8.574 -6.595 49 2HG LYS 6 HG1 LYS 6 -14.247 -8.575 -4.909 50 1HD LYS 6 HD2 LYS 6 -11.930 -8.919 -5.655 51 2HD LYS 6 HD1 LYS 6 -12.474 -8.875 -7.333 52 1HE LYS 6 HE2 LYS 6 -12.769 -6.628 -5.345 53 2HE LYS 6 HE1 LYS 6 -11.516 -6.732 -6.579 54 1HZ LYS 6 HZ1 LYS 6 -13.267 -5.326 -7.350 55 2HZ LYS 6 HZ2 LYS 6 -14.442 -6.505 -7.035 56 3HZ LYS 6 HZ3 LYS 6 -13.296 -6.756 -8.263 57 H TYR 7 HN TYR 7 -13.839 -12.853 -3.138 58 HA TYR 7 HA TYR 7 -14.306 -12.912 -0.921 59 1HB TYR 7 HB2 TYR 7 -12.881 -10.246 -0.778 60 2HB TYR 7 HB1 TYR 7 -13.183 -11.350 0.561 61 HD1 TYR 7 HD1 TYR 7 -12.066 -13.629 0.511 62 HD2 TYR 7 HD2 TYR 7 -10.968 -10.466 -2.109 63 HE1 TYR 7 HE1 TYR 7 -9.937 -14.764 0.041 64 HE2 TYR 7 HE2 TYR 7 -8.837 -11.586 -2.585 65 HH TYR 7 HH TYR 7 -8.241 -14.834 -1.695 66 H SER 8 HN SER 8 -15.015 -11.019 0.926 67 HA SER 8 HA SER 8 -17.633 -10.252 -0.010 68 1HB SER 8 HB2 SER 8 -17.454 -11.212 2.211 69 2HB SER 8 HB1 SER 8 -16.274 -9.991 2.687 70 HG SER 8 HG SER 8 -19.047 -9.737 2.262 71 H ASN 9 HN ASN 9 -17.959 -8.388 -1.010 72 HA ASN 9 HA ASN 9 -16.091 -6.351 -1.327 73 1HB ASN 9 HB2 ASN 9 -19.107 -6.144 -1.536 74 2HB ASN 9 HB1 ASN 9 -17.954 -4.991 -2.197 75 1HD2 ASN 9 HD21 ASN 9 -19.452 -8.079 -2.561 76 2HD2 ASN 9 HD22 ASN 9 -18.831 -8.428 -4.137 77 H GLU 10 HN GLU 10 -18.811 -6.606 0.911 78 HA GLU 10 HA GLU 10 -18.578 -4.123 2.161 79 1HB GLU 10 HB2 GLU 10 -19.370 -6.686 3.551 80 2HB GLU 10 HB1 GLU 10 -19.845 -5.051 3.983 81 1HG GLU 10 HG2 GLU 10 -21.741 -5.822 2.960 82 2HG GLU 10 HG1 GLU 10 -20.923 -5.029 1.614 83 H ARG 11 HN ARG 11 -17.009 -7.212 2.913 84 HA ARG 11 HA ARG 11 -15.663 -6.286 5.220 85 1HB ARG 11 HB2 ARG 11 -16.010 -8.684 4.766 86 2HB ARG 11 HB1 ARG 11 -14.915 -8.580 3.392 87 1HG ARG 11 HG2 ARG 11 -13.077 -8.036 4.847 88 2HG ARG 11 HG1 ARG 11 -14.150 -8.010 6.244 89 1HD ARG 11 HD2 ARG 11 -14.676 -10.414 5.752 90 2HD ARG 11 HD1 ARG 11 -13.386 -10.374 4.549 91 HE ARG 11 HE ARG 11 -12.357 -9.421 6.976 92 1HH1 ARG 11 HH11 ARG 11 -13.557 -12.428 5.606 93 2HH1 ARG 11 HH12 ARG 11 -12.585 -13.420 6.648 94 1HH2 ARG 11 HH21 ARG 11 -11.117 -10.721 8.336 95 2HH2 ARG 11 HH22 ARG 11 -11.182 -12.452 8.196 96 H VAL 12 HN VAL 12 -14.710 -6.528 1.816 97 HA VAL 12 HA VAL 12 -12.034 -5.782 2.079 98 HB VAL 12 HB VAL 12 -13.926 -5.196 -0.211 99 1HG1 VAL 12 HG11 VAL 12 -11.975 -3.725 -0.287 100 2HG1 VAL 12 HG12 VAL 12 -11.918 -4.922 -1.582 101 3HG1 VAL 12 HG13 VAL 12 -10.909 -5.122 -0.150 102 1HG2 VAL 12 HG21 VAL 12 -13.681 -7.577 0.283 103 2HG2 VAL 12 HG22 VAL 12 -11.926 -7.422 0.178 104 3HG2 VAL 12 HG23 VAL 12 -12.922 -7.161 -1.254 105 H GLU 13 HN GLU 13 -14.897 -3.732 1.535 106 HA GLU 13 HA GLU 13 -13.511 -1.282 1.546 107 1HB GLU 13 HB2 GLU 13 -16.385 -1.936 2.183 108 2HB GLU 13 HB1 GLU 13 -15.763 -0.294 2.114 109 1HG GLU 13 HG2 GLU 13 -15.111 -0.665 -0.228 110 2HG GLU 13 HG1 GLU 13 -15.811 -2.283 -0.145 111 H LYS 14 HN LYS 14 -14.972 -3.182 4.140 112 HA LYS 14 HA LYS 14 -14.600 -1.313 6.210 113 1HB LYS 14 HB2 LYS 14 -16.031 -3.274 6.508 114 2HB LYS 14 HB1 LYS 14 -14.636 -4.338 6.356 115 1HG LYS 14 HG2 LYS 14 -13.674 -3.269 8.378 116 2HG LYS 14 HG1 LYS 14 -15.167 -2.352 8.556 117 1HD LYS 14 HD2 LYS 14 -16.428 -4.406 8.828 118 2HD LYS 14 HD1 LYS 14 -14.968 -5.362 8.555 119 1HE LYS 14 HE2 LYS 14 -13.954 -4.271 10.548 120 2HE LYS 14 HE1 LYS 14 -15.496 -3.471 10.845 121 1HZ LYS 14 HZ1 LYS 14 -15.153 -6.416 10.728 122 2HZ LYS 14 HZ2 LYS 14 -16.539 -5.566 11.209 123 3HZ LYS 14 HZ3 LYS 14 -15.135 -5.519 12.164 124 H ILE 15 HN ILE 15 -12.499 -3.881 4.950 125 HA ILE 15 HA ILE 15 -10.415 -3.586 6.816 126 HB ILE 15 HB ILE 15 -10.253 -4.495 3.934 127 1HG1 ILE 15 HG12 ILE 15 -10.428 -6.091 6.501 128 2HG1 ILE 15 HG11 ILE 15 -11.761 -5.833 5.381 129 1HG2 ILE 15 HG21 ILE 15 -8.069 -3.799 4.780 130 2HG2 ILE 15 HG22 ILE 15 -8.141 -5.549 4.568 131 3HG2 ILE 15 HG23 ILE 15 -8.273 -4.851 6.183 132 1HD1 ILE 15 HD11 ILE 15 -10.514 -7.022 3.643 133 2HD1 ILE 15 HD12 ILE 15 -10.788 -8.023 5.070 134 3HD1 ILE 15 HD13 ILE 15 -9.203 -7.301 4.787 135 H ILE 16 HN ILE 16 -10.908 -2.103 3.626 136 HA ILE 16 HA ILE 16 -8.588 -0.541 3.554 137 HB ILE 16 HB ILE 16 -11.303 0.118 2.390 138 1HG1 ILE 16 HG12 ILE 16 -8.908 -1.226 1.120 139 2HG1 ILE 16 HG11 ILE 16 -10.360 -2.060 1.663 140 1HG2 ILE 16 HG21 ILE 16 -10.031 1.531 0.812 141 2HG2 ILE 16 HG22 ILE 16 -8.569 1.217 1.746 142 3HG2 ILE 16 HG23 ILE 16 -9.911 2.095 2.479 143 1HD1 ILE 16 HD11 ILE 16 -11.677 -0.793 0.038 144 2HD1 ILE 16 HD12 ILE 16 -10.400 -1.734 -0.731 145 3HD1 ILE 16 HD13 ILE 16 -10.208 0.007 -0.519 146 H GLN 17 HN GLN 17 -11.812 0.193 4.841 147 HA GLN 17 HA GLN 17 -11.220 2.825 5.685 148 1HB GLN 17 HB2 GLN 17 -13.514 2.038 5.390 149 2HB GLN 17 HB1 GLN 17 -13.306 0.881 6.694 150 1HG GLN 17 HG2 GLN 17 -14.575 2.803 7.434 151 2HG GLN 17 HG1 GLN 17 -13.034 2.709 8.285 152 1HE2 GLN 17 HE21 GLN 17 -11.473 4.258 7.905 153 2HE2 GLN 17 HE22 GLN 17 -11.827 5.743 7.092 154 H ASP 18 HN ASP 18 -10.973 -0.313 7.268 155 HA ASP 18 HA ASP 18 -10.382 0.588 9.872 156 1HB ASP 18 HB2 ASP 18 -10.956 -1.797 8.986 157 2HB ASP 18 HB1 ASP 18 -9.227 -1.938 8.704 158 H LEU 19 HN LEU 19 -8.332 -0.174 7.094 159 HA LEU 19 HA LEU 19 -5.848 0.416 8.305 160 1HB LEU 19 HB2 LEU 19 -6.703 0.573 5.411 161 2HB LEU 19 HB1 LEU 19 -5.045 0.711 5.960 162 HG LEU 19 HG LEU 19 -6.767 -1.728 6.389 163 1HD1 LEU 19 HD11 LEU 19 -5.429 -2.750 4.613 164 2HD1 LEU 19 HD12 LEU 19 -4.638 -1.200 4.322 165 3HD1 LEU 19 HD13 LEU 19 -6.366 -1.380 4.015 166 1HD2 LEU 19 HD21 LEU 19 -3.814 -1.233 6.755 167 2HD2 LEU 19 HD22 LEU 19 -4.614 -2.796 6.915 168 3HD2 LEU 19 HD23 LEU 19 -4.998 -1.489 8.037 169 H LEU 20 HN LEU 20 -8.121 2.392 6.439 170 HA LEU 20 HA LEU 20 -6.643 4.779 6.460 171 1HB LEU 20 HB2 LEU 20 -9.628 4.347 6.391 172 2HB LEU 20 HB1 LEU 20 -8.854 5.898 6.129 173 HG LEU 20 HG LEU 20 -8.475 3.452 4.397 174 1HD1 LEU 20 HD11 LEU 20 -10.029 5.988 3.902 175 2HD1 LEU 20 HD12 LEU 20 -10.718 4.393 4.200 176 3HD1 LEU 20 HD13 LEU 20 -9.775 4.687 2.739 177 1HD2 LEU 20 HD21 LEU 20 -6.502 4.906 4.456 178 2HD2 LEU 20 HD22 LEU 20 -7.513 6.287 4.031 179 3HD2 LEU 20 HD23 LEU 20 -7.307 4.962 2.887 180 H ASP 21 HN ASP 21 -8.847 3.368 8.810 181 HA ASP 21 HA ASP 21 -9.040 5.522 10.582 182 1HB ASP 21 HB2 ASP 21 -9.187 2.546 10.973 183 2HB ASP 21 HB1 ASP 21 -9.260 3.635 12.352 184 H VAL 22 HN VAL 22 -6.626 2.943 10.344 185 HA VAL 22 HA VAL 22 -5.063 3.688 12.559 186 HB VAL 22 HB VAL 22 -4.139 2.417 9.974 187 1HG1 VAL 22 HG11 VAL 22 -2.269 1.548 11.308 188 2HG1 VAL 22 HG12 VAL 22 -2.833 2.484 12.691 189 3HG1 VAL 22 HG13 VAL 22 -2.267 3.309 11.239 190 1HG2 VAL 22 HG21 VAL 22 -5.915 1.132 11.029 191 2HG2 VAL 22 HG22 VAL 22 -5.040 1.154 12.561 192 3HG2 VAL 22 HG23 VAL 22 -4.370 0.292 11.176 193 H LEU 23 HN LEU 23 -4.943 4.697 9.174 194 HA LEU 23 HA LEU 23 -2.620 6.267 9.330 195 1HB LEU 23 HB2 LEU 23 -5.000 6.555 7.498 196 2HB LEU 23 HB1 LEU 23 -3.443 7.325 7.257 197 HG LEU 23 HG LEU 23 -3.956 4.349 7.244 198 1HD1 LEU 23 HD11 LEU 23 -4.855 5.454 5.278 199 2HD1 LEU 23 HD12 LEU 23 -3.428 4.505 4.862 200 3HD1 LEU 23 HD13 LEU 23 -3.309 6.259 5.007 201 1HD2 LEU 23 HD21 LEU 23 -1.628 4.171 6.494 202 2HD2 LEU 23 HD22 LEU 23 -1.742 4.867 8.110 203 3HD2 LEU 23 HD23 LEU 23 -1.426 5.907 6.721 204 H VAL 24 HN VAL 24 -6.030 7.112 9.811 205 HA VAL 24 HA VAL 24 -5.488 9.887 10.299 206 HB VAL 24 HB VAL 24 -7.948 8.255 10.978 207 1HG1 VAL 24 HG11 VAL 24 -7.544 11.240 10.869 208 2HG1 VAL 24 HG12 VAL 24 -7.855 10.272 12.311 209 3HG1 VAL 24 HG13 VAL 24 -9.098 10.428 11.068 210 1HG2 VAL 24 HG21 VAL 24 -8.898 9.273 8.946 211 2HG2 VAL 24 HG22 VAL 24 -7.504 8.251 8.594 212 3HG2 VAL 24 HG23 VAL 24 -7.332 10.006 8.598 213 H LYS 25 HN LYS 25 -5.795 7.006 12.232 214 HA LYS 25 HA LYS 25 -6.022 8.102 14.794 215 1HB LYS 25 HB2 LYS 25 -6.249 5.673 14.016 216 2HB LYS 25 HB1 LYS 25 -4.499 5.591 14.110 217 1HG LYS 25 HG2 LYS 25 -4.588 6.079 16.491 218 2HG LYS 25 HG1 LYS 25 -6.347 6.211 16.404 219 1HD LYS 25 HD2 LYS 25 -4.691 3.747 15.849 220 2HD LYS 25 HD1 LYS 25 -5.746 4.017 17.238 221 1HE LYS 25 HE2 LYS 25 -7.686 4.091 15.770 222 2HE LYS 25 HE1 LYS 25 -6.648 3.895 14.359 223 1HZ LYS 25 HZ1 LYS 25 -7.047 1.910 16.537 224 2HZ LYS 25 HZ2 LYS 25 -5.975 1.716 15.236 225 3HZ LYS 25 HZ3 LYS 25 -7.647 1.797 14.952 226 H GLU 26 HN GLU 26 -3.194 7.372 12.814 227 HA GLU 26 HA GLU 26 -1.363 8.351 14.851 228 1HB GLU 26 HB2 GLU 26 -0.864 7.363 12.036 229 2HB GLU 26 HB1 GLU 26 0.391 7.791 13.186 230 1HG GLU 26 HG2 GLU 26 -1.620 5.590 13.577 231 2HG GLU 26 HG1 GLU 26 0.021 5.367 12.979 232 H GLU 27 HN GLU 27 -3.291 9.730 12.554 233 HA GLU 27 HA GLU 27 -3.317 11.601 11.274 234 1HB GLU 27 HB2 GLU 27 -1.484 12.615 13.452 235 2HB GLU 27 HB1 GLU 27 -2.295 13.625 12.264 236 1HG GLU 27 HG2 GLU 27 -4.452 12.523 13.179 237 2HG GLU 27 HG1 GLU 27 -3.442 12.129 14.571 238 H VAL 28 HN VAL 28 -1.814 9.879 10.052 239 HA VAL 28 HA VAL 28 0.905 10.620 9.704 240 HB VAL 28 HB VAL 28 0.932 9.071 7.809 241 1HG1 VAL 28 HG11 VAL 28 1.160 8.198 10.077 242 2HG1 VAL 28 HG12 VAL 28 0.344 7.041 9.025 243 3HG1 VAL 28 HG13 VAL 28 -0.590 7.994 10.178 244 1HG2 VAL 28 HG21 VAL 28 -2.045 8.850 8.262 245 2HG2 VAL 28 HG22 VAL 28 -1.093 7.833 7.179 246 3HG2 VAL 28 HG23 VAL 28 -1.253 9.559 6.854 247 H THR 29 HN THR 29 1.879 11.907 8.298 248 HA THR 29 HA THR 29 0.331 13.687 6.633 249 HB THR 29 HB THR 29 3.213 13.766 6.233 250 HG1 THR 29 HG1 THR 29 2.317 14.104 8.922 251 1HG2 THR 29 HG21 THR 29 1.854 15.702 5.804 252 2HG2 THR 29 HG22 THR 29 2.900 16.070 7.173 253 3HG2 THR 29 HG23 THR 29 1.206 15.667 7.443 254 HA PRO 30 HA PRO 30 0.341 11.622 2.658 255 1HB PRO 30 HB2 PRO 30 2.068 13.622 1.466 256 2HB PRO 30 HB1 PRO 30 0.352 13.334 1.188 257 1HG PRO 30 HG2 PRO 30 1.650 15.295 2.943 258 2HG PRO 30 HG1 PRO 30 -0.003 15.277 2.308 259 1HD PRO 30 HD2 PRO 30 0.528 14.828 4.910 260 2HD PRO 30 HD1 PRO 30 -0.797 13.999 4.071 261 H ASP 31 HN ASP 31 3.512 13.203 3.109 262 HA ASP 31 HA ASP 31 5.088 11.346 1.798 263 1HB ASP 31 HB2 ASP 31 5.735 13.133 4.150 264 2HB ASP 31 HB1 ASP 31 6.950 12.195 3.291 265 H LEU 32 HN LEU 32 4.408 11.515 5.275 266 HA LEU 32 HA LEU 32 5.852 9.258 6.065 267 1HB LEU 32 HB2 LEU 32 5.058 10.943 7.633 268 2HB LEU 32 HB1 LEU 32 3.395 10.517 7.287 269 HG LEU 32 HG LEU 32 3.778 8.287 8.289 270 1HD1 LEU 32 HD11 LEU 32 6.162 8.071 7.903 271 2HD1 LEU 32 HD12 LEU 32 5.804 7.917 9.623 272 3HD1 LEU 32 HD13 LEU 32 6.481 9.419 8.994 273 1HD2 LEU 32 HD21 LEU 32 4.489 10.615 10.065 274 2HD2 LEU 32 HD22 LEU 32 3.863 9.054 10.600 275 3HD2 LEU 32 HD23 LEU 32 2.857 10.118 9.614 276 H ALA 33 HN ALA 33 2.458 9.603 5.119 277 HA ALA 33 HA ALA 33 1.606 7.007 5.736 278 1HB ALA 33 HB1 ALA 33 0.564 8.816 3.558 279 2HB ALA 33 HB2 ALA 33 0.079 8.870 5.252 280 3HB ALA 33 HB3 ALA 33 -0.283 7.447 4.275 281 H LEU 34 HN LEU 34 2.773 8.350 2.648 282 HA LEU 34 HA LEU 34 2.495 6.015 1.129 283 1HB LEU 34 HB2 LEU 34 4.486 8.266 0.824 284 2HB LEU 34 HB1 LEU 34 4.172 7.040 -0.390 285 HG LEU 34 HG LEU 34 2.163 9.057 0.619 286 1HD1 LEU 34 HD11 LEU 34 3.940 10.054 -0.743 287 2HD1 LEU 34 HD12 LEU 34 2.384 10.075 -1.574 288 3HD1 LEU 34 HD13 LEU 34 3.609 8.886 -2.022 289 1HD2 LEU 34 HD21 LEU 34 1.964 7.018 -1.597 290 2HD2 LEU 34 HD22 LEU 34 0.749 8.234 -1.196 291 3HD2 LEU 34 HD23 LEU 34 1.125 6.947 -0.048 292 H MET 35 HN MET 35 5.217 7.196 3.056 293 HA MET 35 HA MET 35 7.067 5.208 2.335 294 1HB MET 35 HB2 MET 35 7.769 7.239 3.466 295 2HB MET 35 HB1 MET 35 6.830 6.810 4.888 296 1HG MET 35 HG2 MET 35 8.270 4.932 5.331 297 2HG MET 35 HG1 MET 35 9.163 5.220 3.841 298 1HE MET 35 HE1 MET 35 8.288 6.682 7.414 299 2HE MET 35 HE2 MET 35 7.815 7.955 6.290 300 3HE MET 35 HE3 MET 35 9.187 8.198 7.371 301 H CYS 36 HN CYS 36 4.710 5.341 4.984 302 HA CYS 36 HA CYS 36 5.506 2.885 6.170 303 1HB CYS 36 HB2 CYS 36 2.848 4.313 6.375 304 2HB CYS 36 HB1 CYS 36 3.444 3.067 7.466 305 HG CYS 36 HG CYS 36 4.512 6.287 7.158 306 H LEU 37 HN LEU 37 2.829 3.756 3.988 307 HA LEU 37 HA LEU 37 1.688 1.199 3.813 308 1HB LEU 37 HB2 LEU 37 1.696 3.479 1.834 309 2HB LEU 37 HB1 LEU 37 0.712 2.040 1.661 310 HG LEU 37 HG LEU 37 0.520 3.957 3.985 311 1HD1 LEU 37 HD11 LEU 37 -1.566 4.713 2.948 312 2HD1 LEU 37 HD12 LEU 37 -1.227 3.703 1.541 313 3HD1 LEU 37 HD13 LEU 37 -0.166 5.057 1.931 314 1HD2 LEU 37 HD21 LEU 37 -1.245 1.674 3.116 315 2HD2 LEU 37 HD22 LEU 37 -1.577 2.779 4.448 316 3HD2 LEU 37 HD23 LEU 37 -0.189 1.696 4.528 317 H GLY 38 HN GLY 38 4.204 2.771 1.876 318 1HA GLY 38 HA2 GLY 38 4.467 0.843 -0.124 319 2HA GLY 38 HA1 GLY 38 5.745 1.927 0.407 320 H ASN 39 HN ASN 39 6.085 1.030 3.038 321 HA ASN 39 HA ASN 39 7.772 -1.200 2.565 322 1HB ASN 39 HB2 ASN 39 6.969 0.315 5.018 323 2HB ASN 39 HB1 ASN 39 7.823 -1.216 5.185 324 1HD2 ASN 39 HD21 ASN 39 8.036 2.091 4.164 325 2HD2 ASN 39 HD22 ASN 39 9.758 2.126 3.980 326 H ALA 40 HN ALA 40 4.562 -0.865 3.953 327 HA ALA 40 HA ALA 40 4.302 -3.499 4.924 328 1HB ALA 40 HB1 ALA 40 1.913 -3.071 4.970 329 2HB ALA 40 HB2 ALA 40 2.122 -1.666 3.925 330 3HB ALA 40 HB3 ALA 40 2.794 -1.660 5.557 331 H VAL 41 HN VAL 41 3.360 -2.026 1.831 332 HA VAL 41 HA VAL 41 2.319 -4.335 0.619 333 HB VAL 41 HB VAL 41 3.751 -2.052 -0.758 334 1HG1 VAL 41 HG11 VAL 41 3.431 -3.984 -2.198 335 2HG1 VAL 41 HG12 VAL 41 2.382 -2.655 -2.692 336 3HG1 VAL 41 HG13 VAL 41 1.715 -4.018 -1.794 337 1HG2 VAL 41 HG21 VAL 41 1.962 -1.201 0.648 338 2HG2 VAL 41 HG22 VAL 41 0.830 -2.345 -0.070 339 3HG2 VAL 41 HG23 VAL 41 1.533 -1.061 -1.057 340 H THR 42 HN THR 42 5.572 -2.924 0.472 341 HA THR 42 HA THR 42 6.731 -4.752 -1.281 342 HB THR 42 HB THR 42 8.102 -3.255 0.968 343 HG1 THR 42 HG1 THR 42 7.061 -1.758 -0.307 344 1HG2 THR 42 HG21 THR 42 9.180 -4.341 -1.642 345 2HG2 THR 42 HG22 THR 42 9.524 -4.979 -0.032 346 3HG2 THR 42 HG23 THR 42 10.081 -3.367 -0.481 347 H ASN 43 HN ASN 43 6.096 -5.032 2.148 348 HA ASN 43 HA ASN 43 7.901 -7.215 2.566 349 1HB ASN 43 HB2 ASN 43 7.217 -5.676 4.382 350 2HB ASN 43 HB1 ASN 43 5.575 -6.301 4.272 351 1HD2 ASN 43 HD21 ASN 43 5.577 -7.039 6.374 352 2HD2 ASN 43 HD22 ASN 43 6.480 -8.428 6.874 353 H ILE 44 HN ILE 44 4.366 -6.949 2.099 354 HA ILE 44 HA ILE 44 3.999 -9.757 2.534 355 HB ILE 44 HB ILE 44 2.224 -8.076 3.050 356 1HG1 ILE 44 HG12 ILE 44 1.366 -10.233 1.117 357 2HG1 ILE 44 HG11 ILE 44 1.808 -10.526 2.795 358 1HG2 ILE 44 HG21 ILE 44 2.360 -6.661 1.102 359 2HG2 ILE 44 HG22 ILE 44 0.741 -7.353 1.215 360 3HG2 ILE 44 HG23 ILE 44 1.902 -8.004 0.054 361 1HD1 ILE 44 HD11 ILE 44 -0.049 -9.125 3.525 362 2HD1 ILE 44 HD12 ILE 44 -0.598 -10.457 2.509 363 3HD1 ILE 44 HD13 ILE 44 -0.486 -8.827 1.843 364 H ILE 45 HN ILE 45 4.581 -7.772 -0.280 365 HA ILE 45 HA ILE 45 3.764 -9.651 -2.236 366 HB ILE 45 HB ILE 45 5.897 -7.510 -2.422 367 1HG1 ILE 45 HG12 ILE 45 3.009 -7.535 -3.325 368 2HG1 ILE 45 HG11 ILE 45 3.641 -6.650 -1.941 369 1HG2 ILE 45 HG21 ILE 45 5.660 -7.714 -4.845 370 2HG2 ILE 45 HG22 ILE 45 4.542 -9.060 -4.628 371 3HG2 ILE 45 HG23 ILE 45 6.226 -9.222 -4.129 372 1HD1 ILE 45 HD11 ILE 45 5.026 -5.309 -3.445 373 2HD1 ILE 45 HD12 ILE 45 3.310 -5.180 -3.834 374 3HD1 ILE 45 HD13 ILE 45 4.365 -6.188 -4.824 375 H ALA 46 HN ALA 46 6.619 -9.357 -0.264 376 HA ALA 46 HA ALA 46 8.277 -11.136 -1.747 377 1HB ALA 46 HB1 ALA 46 9.672 -11.187 0.266 378 2HB ALA 46 HB2 ALA 46 8.401 -10.357 1.164 379 3HB ALA 46 HB3 ALA 46 9.219 -9.539 -0.168 380 H GLN 47 HN GLN 47 5.668 -11.568 0.428 381 HA GLN 47 HA GLN 47 6.327 -14.259 1.203 382 1HB GLN 47 HB2 GLN 47 3.700 -12.771 1.390 383 2HB GLN 47 HB1 GLN 47 4.102 -14.270 2.219 384 1HG GLN 47 HG2 GLN 47 5.786 -13.153 3.524 385 2HG GLN 47 HG1 GLN 47 5.538 -11.656 2.628 386 1HE2 GLN 47 HE21 GLN 47 5.009 -10.481 4.447 387 2HE2 GLN 47 HE22 GLN 47 3.516 -10.698 5.293 388 H VAL 48 HN VAL 48 4.712 -12.680 -1.382 389 HA VAL 48 HA VAL 48 3.220 -14.900 -2.376 390 HB VAL 48 HB VAL 48 4.241 -12.544 -3.961 391 1HG1 VAL 48 HG11 VAL 48 2.289 -12.897 -5.354 392 2HG1 VAL 48 HG12 VAL 48 1.785 -14.244 -4.334 393 3HG1 VAL 48 HG13 VAL 48 3.270 -14.361 -5.277 394 1HG2 VAL 48 HG21 VAL 48 2.170 -11.377 -3.395 395 2HG2 VAL 48 HG22 VAL 48 3.138 -11.709 -1.958 396 3HG2 VAL 48 HG23 VAL 48 1.723 -12.699 -2.316 397 HA PRO 49 HA PRO 49 6.546 -17.308 -4.118 398 1HB PRO 49 HB2 PRO 49 5.031 -18.295 -6.258 399 2HB PRO 49 HB1 PRO 49 5.205 -19.047 -4.673 400 1HG PRO 49 HG2 PRO 49 2.990 -17.387 -5.747 401 2HG PRO 49 HG1 PRO 49 2.939 -18.725 -4.585 402 1HD PRO 49 HD2 PRO 49 2.676 -16.145 -3.834 403 2HD PRO 49 HD1 PRO 49 3.455 -17.354 -2.801 404 H GLU 50 HN GLU 50 8.060 -16.993 -5.649 405 HA GLU 50 HA GLU 50 8.289 -14.533 -6.883 406 1HB GLU 50 HB2 GLU 50 9.674 -17.100 -7.670 407 2HB GLU 50 HB1 GLU 50 10.211 -15.475 -8.074 408 1HG GLU 50 HG2 GLU 50 10.513 -14.981 -5.707 409 2HG GLU 50 HG1 GLU 50 9.977 -16.611 -5.302 410 H SER 51 HN SER 51 7.025 -17.527 -8.200 411 HA SER 51 HA SER 51 7.054 -16.968 -10.909 412 1HB SER 51 HB2 SER 51 6.432 -19.141 -9.825 413 2HB SER 51 HB1 SER 51 4.864 -18.443 -9.433 414 HG SER 51 HG SER 51 5.473 -18.116 -12.066 415 H LYS 52 HN LYS 52 4.923 -15.729 -8.432 416 HA LYS 52 HA LYS 52 3.515 -14.175 -10.501 417 1HB LYS 52 HB2 LYS 52 1.509 -14.254 -8.990 418 2HB LYS 52 HB1 LYS 52 1.963 -15.803 -9.688 419 1HG LYS 52 HG2 LYS 52 3.160 -16.324 -7.555 420 2HG LYS 52 HG1 LYS 52 2.463 -14.853 -6.878 421 1HD LYS 52 HD2 LYS 52 0.871 -17.151 -8.012 422 2HD LYS 52 HD1 LYS 52 1.203 -16.906 -6.298 423 1HE LYS 52 HE2 LYS 52 0.085 -14.662 -6.511 424 2HE LYS 52 HE1 LYS 52 -0.414 -15.146 -8.134 425 1HZ LYS 52 HZ1 LYS 52 -1.122 -16.508 -5.590 426 2HZ LYS 52 HZ2 LYS 52 -1.550 -17.065 -7.135 427 3HZ LYS 52 HZ3 LYS 52 -2.169 -15.596 -6.563 428 H ARG 53 HN ARG 53 5.709 -13.941 -8.144 429 HA ARG 53 HA ARG 53 4.743 -11.827 -6.510 430 1HB ARG 53 HB2 ARG 53 6.584 -13.290 -5.817 431 2HB ARG 53 HB1 ARG 53 7.581 -12.671 -7.126 432 1HG ARG 53 HG2 ARG 53 7.488 -10.435 -6.109 433 2HG ARG 53 HG1 ARG 53 6.555 -11.105 -4.769 434 1HD ARG 53 HD2 ARG 53 9.349 -11.913 -5.570 435 2HD ARG 53 HD1 ARG 53 8.919 -10.903 -4.191 436 HE ARG 53 HE ARG 53 7.503 -13.154 -3.735 437 1HH1 ARG 53 HH11 ARG 53 10.870 -12.559 -4.455 438 2HH1 ARG 53 HH12 ARG 53 11.441 -13.969 -3.626 439 1HH2 ARG 53 HH21 ARG 53 8.234 -15.008 -2.632 440 2HH2 ARG 53 HH22 ARG 53 9.932 -15.385 -2.591 441 H VAL 54 HN VAL 54 6.476 -11.949 -9.552 442 HA VAL 54 HA VAL 54 7.078 -9.142 -9.567 443 HB VAL 54 HB VAL 54 7.032 -11.000 -11.950 444 1HG1 VAL 54 HG11 VAL 54 8.704 -9.459 -12.851 445 2HG1 VAL 54 HG12 VAL 54 8.554 -8.456 -11.407 446 3HG1 VAL 54 HG13 VAL 54 7.182 -8.640 -12.499 447 1HG2 VAL 54 HG21 VAL 54 8.403 -11.979 -10.178 448 2HG2 VAL 54 HG22 VAL 54 9.315 -10.475 -10.048 449 3HG2 VAL 54 HG23 VAL 54 9.394 -11.430 -11.528 450 H ALA 55 HN ALA 55 4.641 -11.254 -10.980 451 HA ALA 55 HA ALA 55 3.326 -9.397 -12.597 452 1HB ALA 55 HB1 ALA 55 2.953 -11.808 -12.730 453 2HB ALA 55 HB2 ALA 55 1.437 -10.928 -12.538 454 3HB ALA 55 HB3 ALA 55 2.148 -11.771 -11.161 455 H VAL 56 HN VAL 56 2.761 -10.249 -9.178 456 HA VAL 56 HA VAL 56 0.425 -8.675 -8.939 457 HB VAL 56 HB VAL 56 0.697 -8.883 -6.489 458 1HG1 VAL 56 HG11 VAL 56 0.452 -11.318 -6.392 459 2HG1 VAL 56 HG12 VAL 56 1.084 -11.443 -8.034 460 3HG1 VAL 56 HG13 VAL 56 -0.449 -10.621 -7.738 461 1HG2 VAL 56 HG21 VAL 56 3.125 -8.791 -6.336 462 2HG2 VAL 56 HG22 VAL 56 3.248 -10.339 -7.174 463 3HG2 VAL 56 HG23 VAL 56 2.506 -10.257 -5.576 464 H VAL 57 HN VAL 57 3.844 -7.894 -8.423 465 HA VAL 57 HA VAL 57 3.185 -5.344 -7.265 466 HB VAL 57 HB VAL 57 5.269 -6.500 -6.623 467 1HG1 VAL 57 HG11 VAL 57 7.209 -6.468 -8.118 468 2HG1 VAL 57 HG12 VAL 57 6.189 -5.850 -9.418 469 3HG1 VAL 57 HG13 VAL 57 5.899 -7.460 -8.760 470 1HG2 VAL 57 HG21 VAL 57 6.717 -4.534 -6.677 471 2HG2 VAL 57 HG22 VAL 57 5.049 -4.099 -6.301 472 3HG2 VAL 57 HG23 VAL 57 5.693 -3.813 -7.917 473 H ASP 58 HN ASP 58 4.124 -6.522 -10.470 474 HA ASP 58 HA ASP 58 4.398 -4.014 -11.716 475 1HB ASP 58 HB2 ASP 58 3.740 -6.760 -12.715 476 2HB ASP 58 HB1 ASP 58 3.540 -5.388 -13.798 477 H ASN 59 HN ASN 59 1.584 -6.153 -11.429 478 HA ASN 59 HA ASN 59 -0.226 -4.374 -12.687 479 1HB ASN 59 HB2 ASN 59 -0.598 -6.767 -10.902 480 2HB ASN 59 HB1 ASN 59 -1.969 -5.833 -11.493 481 1HD2 ASN 59 HD21 ASN 59 -1.102 -8.606 -12.015 482 2HD2 ASN 59 HD22 ASN 59 -0.988 -8.736 -13.735 483 H PHE 60 HN PHE 60 0.893 -4.708 -9.397 484 HA PHE 60 HA PHE 60 -1.052 -3.130 -8.121 485 1HB PHE 60 HB2 PHE 60 0.762 -4.522 -7.008 486 2HB PHE 60 HB1 PHE 60 1.881 -3.218 -7.395 487 HD1 PHE 60 HD2 PHE 60 -1.262 -3.955 -5.564 488 HD2 PHE 60 HD1 PHE 60 2.109 -1.392 -5.973 489 HE1 PHE 60 HE2 PHE 60 -1.885 -2.809 -3.480 490 HE2 PHE 60 HE1 PHE 60 1.493 -0.244 -3.886 491 HZ PHE 60 HZ PHE 60 -0.507 -0.956 -2.637 492 H THR 61 HN THR 61 2.126 -2.264 -9.437 493 HA THR 61 HA THR 61 1.832 0.520 -8.993 494 HB THR 61 HB THR 61 3.775 0.756 -10.540 495 HG1 THR 61 HG1 THR 61 3.094 -1.877 -11.110 496 1HG2 THR 61 HG21 THR 61 4.019 -1.374 -8.412 497 2HG2 THR 61 HG22 THR 61 4.129 0.372 -8.165 498 3HG2 THR 61 HG23 THR 61 5.362 -0.469 -9.109 499 H LYS 62 HN LYS 62 1.031 -1.598 -11.643 500 HA LYS 62 HA LYS 62 0.375 0.278 -13.617 501 1HB LYS 62 HB2 LYS 62 0.526 -2.090 -14.111 502 2HB LYS 62 HB1 LYS 62 -0.781 -2.448 -12.996 503 1HG LYS 62 HG2 LYS 62 -2.295 -1.111 -14.480 504 2HG LYS 62 HG1 LYS 62 -0.963 -1.025 -15.638 505 1HD LYS 62 HD2 LYS 62 -0.897 -3.439 -15.797 506 2HD LYS 62 HD1 LYS 62 -2.141 -3.584 -14.555 507 1HE LYS 62 HE2 LYS 62 -3.160 -3.913 -16.694 508 2HE LYS 62 HE1 LYS 62 -3.697 -2.359 -16.057 509 1HZ LYS 62 HZ1 LYS 62 -1.484 -2.683 -18.010 510 2HZ LYS 62 HZ2 LYS 62 -2.193 -1.226 -17.506 511 3HZ LYS 62 HZ3 LYS 62 -3.084 -2.327 -18.438 512 H ALA 63 HN ALA 63 -1.713 -1.319 -11.214 513 HA ALA 63 HA ALA 63 -4.059 0.091 -11.828 514 1HB ALA 63 HB1 ALA 63 -4.895 -0.703 -9.685 515 2HB ALA 63 HB2 ALA 63 -3.257 -1.125 -9.187 516 3HB ALA 63 HB3 ALA 63 -4.021 -1.986 -10.523 517 H LEU 64 HN LEU 64 -1.500 0.735 -9.465 518 HA LEU 64 HA LEU 64 -2.623 2.851 -8.090 519 1HB LEU 64 HB2 LEU 64 0.180 2.085 -8.740 520 2HB LEU 64 HB1 LEU 64 -0.114 3.651 -8.012 521 HG LEU 64 HG LEU 64 -0.986 1.027 -6.805 522 1HD1 LEU 64 HD11 LEU 64 1.353 2.803 -6.124 523 2HD1 LEU 64 HD12 LEU 64 1.449 1.214 -6.886 524 3HD1 LEU 64 HD13 LEU 64 0.848 1.366 -5.234 525 1HD2 LEU 64 HD21 LEU 64 -2.370 2.934 -6.161 526 2HD2 LEU 64 HD22 LEU 64 -0.925 3.837 -5.706 527 3HD2 LEU 64 HD23 LEU 64 -1.378 2.387 -4.808 528 H LYS 65 HN LYS 65 -0.261 3.290 -10.749 529 HA LYS 65 HA LYS 65 -0.634 6.080 -10.757 530 1HB LYS 65 HB2 LYS 65 0.667 4.203 -12.708 531 2HB LYS 65 HB1 LYS 65 0.576 5.936 -13.007 532 1HG LYS 65 HG2 LYS 65 1.714 6.299 -10.816 533 2HG LYS 65 HG1 LYS 65 1.940 4.553 -10.707 534 1HD LYS 65 HD2 LYS 65 2.916 6.207 -13.025 535 2HD LYS 65 HD1 LYS 65 3.899 5.861 -11.603 536 1HE LYS 65 HE2 LYS 65 3.757 3.491 -12.028 537 2HE LYS 65 HE1 LYS 65 2.650 3.765 -13.374 538 1HZ LYS 65 HZ1 LYS 65 5.404 4.853 -13.287 539 2HZ LYS 65 HZ2 LYS 65 4.352 4.809 -14.614 540 3HZ LYS 65 HZ3 LYS 65 5.014 3.368 -14.009 541 H GLN 66 HN GLN 66 -2.075 3.531 -12.740 542 HA GLN 66 HA GLN 66 -3.351 5.274 -14.561 543 1HB GLN 66 HB2 GLN 66 -3.602 2.413 -13.836 544 2HB GLN 66 HB1 GLN 66 -5.010 3.148 -14.589 545 1HG GLN 66 HG2 GLN 66 -3.559 2.067 -16.221 546 2HG GLN 66 HG1 GLN 66 -3.687 3.801 -16.505 547 1HE2 GLN 66 HE21 GLN 66 -1.630 1.206 -15.510 548 2HE2 GLN 66 HE22 GLN 66 -0.135 2.070 -15.610 549 H SER 67 HN SER 67 -4.365 3.885 -11.473 550 HA SER 67 HA SER 67 -7.011 4.921 -11.589 551 1HB SER 67 HB2 SER 67 -6.248 2.977 -10.170 552 2HB SER 67 HB1 SER 67 -5.472 4.149 -9.106 553 HG SER 67 HG SER 67 -7.336 4.370 -8.197 554 H VAL 68 HN VAL 68 -3.963 6.109 -10.251 555 HA VAL 68 HA VAL 68 -5.062 8.322 -8.869 556 HB VAL 68 HB VAL 68 -2.270 7.890 -9.946 557 1HG1 VAL 68 HG11 VAL 68 -3.249 10.008 -8.031 558 2HG1 VAL 68 HG12 VAL 68 -2.700 10.285 -9.685 559 3HG1 VAL 68 HG13 VAL 68 -1.566 9.703 -8.464 560 1HG2 VAL 68 HG21 VAL 68 -1.733 7.402 -7.608 561 2HG2 VAL 68 HG22 VAL 68 -2.960 6.299 -8.234 562 3HG2 VAL 68 HG23 VAL 68 -3.427 7.630 -7.174 563 H LEU 69 HN LEU 69 -4.063 7.863 -12.215 564 HA LEU 69 HA LEU 69 -4.258 10.613 -12.933 565 1HB LEU 69 HB2 LEU 69 -4.429 8.114 -14.615 566 2HB LEU 69 HB1 LEU 69 -4.380 9.738 -15.271 567 HG LEU 69 HG LEU 69 -2.195 8.426 -13.654 568 1HD1 LEU 69 HD11 LEU 69 -2.364 9.114 -16.584 569 2HD1 LEU 69 HD12 LEU 69 -2.380 7.494 -15.889 570 3HD1 LEU 69 HD13 LEU 69 -0.935 8.496 -15.754 571 1HD2 LEU 69 HD21 LEU 69 -2.255 10.809 -13.232 572 2HD2 LEU 69 HD22 LEU 69 -2.323 11.140 -14.963 573 3HD2 LEU 69 HD23 LEU 69 -0.876 10.417 -14.258 574 H GLU 70 HN GLU 70 -6.526 7.940 -12.816 575 HA GLU 70 HA GLU 70 -8.652 9.387 -14.097 576 1HB GLU 70 HB2 GLU 70 -8.675 6.837 -12.473 577 2HB GLU 70 HB1 GLU 70 -10.057 7.472 -13.355 578 1HG GLU 70 HG2 GLU 70 -7.437 6.641 -14.580 579 2HG GLU 70 HG1 GLU 70 -8.917 5.682 -14.568 580 H HIS 71 HN HIS 71 -7.876 8.451 -10.798 581 HA HIS 71 HA HIS 71 -10.083 10.027 -9.728 582 1HB HIS 71 HB2 HIS 71 -9.378 7.701 -8.894 583 2HB HIS 71 HB1 HIS 71 -7.996 8.502 -8.162 584 HD1 HIS 71 HD1 HIS 71 -8.394 9.772 -5.983 585 HD2 HIS 71 HD2 HIS 71 -11.887 8.316 -7.699 586 HE1 HIS 71 HE1 HIS 71 -10.159 9.990 -4.208 587 HE2 HIS 71 HE2 HIS 71 -12.214 8.931 -5.206 588 H HIS 72 HN HIS 72 -7.669 11.149 -11.091 589 HA HIS 72 HA HIS 72 -5.958 12.521 -9.396 590 1HB HIS 72 HB2 HIS 72 -5.678 12.510 -11.819 591 2HB HIS 72 HB1 HIS 72 -7.178 13.401 -12.027 592 HD1 HIS 72 HD1 HIS 72 -7.038 15.893 -12.031 593 HD2 HIS 72 HD2 HIS 72 -3.551 14.091 -10.643 594 HE1 HIS 72 HE1 HIS 72 -5.344 17.744 -11.843 595 HE2 HIS 72 HE2 HIS 72 -3.186 16.593 -11.224 596 H HIS 73 HN HIS 73 -9.160 13.384 -10.543 597 HA HIS 73 HA HIS 73 -10.045 14.464 -8.146 598 1HB HIS 73 HB2 HIS 73 -8.525 16.358 -9.696 599 2HB HIS 73 HB1 HIS 73 -10.211 16.858 -9.650 600 HD1 HIS 73 HD1 HIS 73 -8.682 18.802 -8.225 601 HD2 HIS 73 HD2 HIS 73 -9.668 15.208 -6.373 602 HE1 HIS 73 HE1 HIS 73 -8.478 19.230 -5.755 603 HE2 HIS 73 HE2 HIS 73 -8.865 16.988 -4.670 604 H HIS 74 HN HIS 74 -11.975 13.577 -8.422 605 HA HIS 74 HA HIS 74 -13.206 13.422 -11.015 606 1HB HIS 74 HB2 HIS 74 -13.380 11.632 -9.279 607 2HB HIS 74 HB1 HIS 74 -14.382 12.714 -8.320 608 HD1 HIS 74 HD1 HIS 74 -16.487 11.327 -8.414 609 HD2 HIS 74 HD2 HIS 74 -14.950 12.207 -12.178 610 HE1 HIS 74 HE1 HIS 74 -18.253 10.602 -10.057 611 HE2 HIS 74 HE2 HIS 74 -17.222 10.975 -12.329 612 H HIS 75 HN HIS 75 -13.058 15.826 -11.160 613 HA HIS 75 HA HIS 75 -15.242 17.271 -9.891 614 1HB HIS 75 HB2 HIS 75 -12.946 18.265 -10.314 615 2HB HIS 75 HB1 HIS 75 -13.331 18.236 -12.030 616 HD1 HIS 75 HD1 HIS 75 -14.435 19.864 -8.813 617 HD2 HIS 75 HD2 HIS 75 -14.829 20.356 -12.921 618 HE1 HIS 75 HE1 HIS 75 -15.520 22.114 -9.125 619 HE2 HIS 75 HE2 HIS 75 -15.481 22.495 -11.616 620 H HIS 76 HN HIS 76 -14.322 15.847 -12.913 621 HA HIS 76 HA HIS 76 -17.021 15.531 -13.729 622 1HB HIS 76 HB2 HIS 76 -16.603 17.902 -14.466 623 2HB HIS 76 HB1 HIS 76 -15.304 17.302 -15.494 624 HD1 HIS 76 HD1 HIS 76 -15.997 15.943 -17.613 625 HD2 HIS 76 HD2 HIS 76 -19.187 17.453 -15.413 626 HE1 HIS 76 HE1 HIS 76 -18.007 15.734 -19.104 627 HE2 HIS 76 HE2 HIS 76 -19.949 16.518 -17.704 628 1H MET 1 HT1 MET 1 8.563 19.660 21.172 629 2H MET 1 HT2 MET 1 9.458 21.057 20.827 630 3H MET 1 HT3 MET 1 10.257 19.604 21.174 631 HA MET 1 HA MET 1 9.361 18.597 19.183 632 1HB MET 1 HB2 MET 1 8.230 21.367 18.719 633 2HB MET 1 HB1 MET 1 8.293 20.104 17.499 634 1HG MET 1 HG2 MET 1 6.830 18.707 18.841 635 2HG MET 1 HG1 MET 1 6.798 19.936 20.104 636 1HE MET 1 HE1 MET 1 4.865 22.857 18.414 637 2HE MET 1 HE2 MET 1 6.613 22.636 18.496 638 3HE MET 1 HE3 MET 1 5.610 22.255 19.895 639 HA PRO 2 HA PRO 2 13.318 20.484 18.074 640 1HB PRO 2 HB2 PRO 2 14.611 18.207 17.550 641 2HB PRO 2 HB1 PRO 2 14.254 18.683 19.214 642 1HG PRO 2 HG2 PRO 2 12.883 16.677 17.482 643 2HG PRO 2 HG1 PRO 2 13.250 16.600 19.214 644 1HD PRO 2 HD2 PRO 2 10.791 17.306 18.116 645 2HD PRO 2 HD1 PRO 2 11.319 17.663 19.771 646 H ILE 3 HN ILE 3 14.840 19.529 16.088 647 HA ILE 3 HA ILE 3 13.368 20.142 13.725 648 HB ILE 3 HB ILE 3 16.175 19.059 14.047 649 1HG1 ILE 3 HG12 ILE 3 15.152 21.867 13.549 650 2HG1 ILE 3 HG11 ILE 3 15.830 21.272 15.062 651 1HG2 ILE 3 HG21 ILE 3 15.305 18.545 11.832 652 2HG2 ILE 3 HG22 ILE 3 16.535 19.805 11.736 653 3HG2 ILE 3 HG23 ILE 3 14.827 20.228 11.611 654 1HD1 ILE 3 HD11 ILE 3 17.298 21.502 12.448 655 2HD1 ILE 3 HD12 ILE 3 17.976 20.924 13.970 656 3HD1 ILE 3 HD13 ILE 3 17.442 22.599 13.822 657 H VAL 4 HN VAL 4 11.859 18.729 13.097 658 HA VAL 4 HA VAL 4 12.509 15.872 13.079 659 HB VAL 4 HB VAL 4 10.423 16.424 14.194 660 1HG1 VAL 4 HG11 VAL 4 9.559 17.640 11.576 661 2HG1 VAL 4 HG12 VAL 4 9.880 18.505 13.080 662 3HG1 VAL 4 HG13 VAL 4 8.521 17.385 12.979 663 1HG2 VAL 4 HG21 VAL 4 9.918 15.080 11.544 664 2HG2 VAL 4 HG22 VAL 4 8.892 14.962 12.974 665 3HG2 VAL 4 HG23 VAL 4 10.528 14.302 13.005 666 H SER 5 HN SER 5 12.824 14.776 11.233 667 HA SER 5 HA SER 5 12.146 16.095 8.694 668 1HB SER 5 HB2 SER 5 14.512 16.548 9.127 669 2HB SER 5 HB1 SER 5 14.814 14.830 9.380 670 HG SER 5 HG SER 5 14.282 16.228 6.999 671 H LYS 6 HN LYS 6 13.436 13.077 10.102 672 HA LYS 6 HA LYS 6 11.969 11.559 8.067 673 1HB LYS 6 HB2 LYS 6 13.304 9.624 8.842 674 2HB LYS 6 HB1 LYS 6 14.312 10.955 8.291 675 1HG LYS 6 HG2 LYS 6 14.907 11.543 10.503 676 2HG LYS 6 HG1 LYS 6 13.665 10.494 11.190 677 1HD LYS 6 HD2 LYS 6 15.880 9.487 11.403 678 2HD LYS 6 HD1 LYS 6 14.848 8.532 10.339 679 1HE LYS 6 HE2 LYS 6 17.058 8.685 9.392 680 2HE LYS 6 HE1 LYS 6 15.929 9.597 8.393 681 1HZ LYS 6 HZ1 LYS 6 17.761 10.766 10.419 682 2HZ LYS 6 HZ2 LYS 6 16.702 11.635 9.416 683 3HZ LYS 6 HZ3 LYS 6 18.005 10.791 8.742 684 H TYR 7 HN TYR 7 10.969 12.917 10.611 685 HA TYR 7 HA TYR 7 9.436 12.576 12.259 686 1HB TYR 7 HB2 TYR 7 8.930 9.952 10.828 687 2HB TYR 7 HB1 TYR 7 7.870 10.697 12.016 688 HD1 TYR 7 HD2 TYR 7 6.529 12.663 11.422 689 HD2 TYR 7 HD1 TYR 7 9.023 10.752 8.553 690 HE1 TYR 7 HE2 TYR 7 5.341 13.833 9.615 691 HE2 TYR 7 HE1 TYR 7 7.839 11.912 6.738 692 HH TYR 7 HH TYR 7 5.709 14.509 7.296 693 H SER 8 HN SER 8 8.678 10.206 13.595 694 HA SER 8 HA SER 8 11.214 9.331 14.776 695 1HB SER 8 HB2 SER 8 8.379 8.865 15.750 696 2HB SER 8 HB1 SER 8 9.861 8.506 16.636 697 HG SER 8 HG SER 8 8.932 11.076 15.835 698 H ASN 9 HN ASN 9 12.050 7.504 13.927 699 HA ASN 9 HA ASN 9 10.605 5.912 12.099 700 1HB ASN 9 HB2 ASN 9 12.532 4.521 11.923 701 2HB ASN 9 HB1 ASN 9 13.114 6.165 12.134 702 1HD2 ASN 9 HD21 ASN 9 14.296 3.497 12.668 703 2HD2 ASN 9 HD22 ASN 9 14.819 3.560 14.320 704 H GLU 10 HN GLU 10 11.049 5.729 15.532 705 HA GLU 10 HA GLU 10 10.149 3.124 16.014 706 1HB GLU 10 HB2 GLU 10 9.746 5.662 17.601 707 2HB GLU 10 HB1 GLU 10 9.365 4.055 18.202 708 1HG GLU 10 HG2 GLU 10 11.626 3.412 18.226 709 2HG GLU 10 HG1 GLU 10 12.112 4.804 17.255 710 H ARG 11 HN ARG 11 8.363 6.151 15.562 711 HA ARG 11 HA ARG 11 5.806 4.924 15.854 712 1HB ARG 11 HB2 ARG 11 6.085 7.307 16.325 713 2HB ARG 11 HB1 ARG 11 6.556 7.601 14.653 714 1HG ARG 11 HG2 ARG 11 4.408 7.173 13.849 715 2HG ARG 11 HG1 ARG 11 3.906 6.391 15.346 716 1HD ARG 11 HD2 ARG 11 4.394 8.749 16.375 717 2HD ARG 11 HD1 ARG 11 4.180 9.290 14.707 718 HE ARG 11 HE ARG 11 2.074 7.544 15.560 719 1HH1 ARG 11 HH11 ARG 11 3.158 10.884 15.574 720 2HH1 ARG 11 HH12 ARG 11 1.574 11.525 15.898 721 1HH2 ARG 11 HH21 ARG 11 0.047 8.354 16.062 722 2HH2 ARG 11 HH22 ARG 11 -0.217 10.068 16.193 723 H VAL 12 HN VAL 12 7.880 5.772 13.130 724 HA VAL 12 HA VAL 12 6.121 5.154 11.048 725 HB VAL 12 HB VAL 12 9.112 4.685 11.119 726 1HG1 VAL 12 HG11 VAL 12 8.055 3.493 9.282 727 2HG1 VAL 12 HG12 VAL 12 8.984 4.864 8.675 728 3HG1 VAL 12 HG13 VAL 12 7.226 4.967 8.782 729 1HG2 VAL 12 HG21 VAL 12 9.278 6.876 10.038 730 2HG2 VAL 12 HG22 VAL 12 8.540 7.000 11.635 731 3HG2 VAL 12 HG23 VAL 12 7.534 7.083 10.189 732 H GLU 13 HN GLU 13 8.344 3.099 12.877 733 HA GLU 13 HA GLU 13 7.760 0.658 11.626 734 1HB GLU 13 HB2 GLU 13 9.595 1.253 13.359 735 2HB GLU 13 HB1 GLU 13 8.364 0.899 14.563 736 1HG GLU 13 HG2 GLU 13 9.513 -1.097 14.374 737 2HG GLU 13 HG1 GLU 13 8.111 -1.343 13.333 738 H LYS 14 HN LYS 14 6.284 2.322 14.373 739 HA LYS 14 HA LYS 14 4.446 0.362 15.126 740 1HB LYS 14 HB2 LYS 14 4.861 2.348 16.498 741 2HB LYS 14 HB1 LYS 14 4.144 3.371 15.259 742 1HG LYS 14 HG2 LYS 14 2.019 2.069 15.566 743 2HG LYS 14 HG1 LYS 14 2.774 1.316 16.968 744 1HD LYS 14 HD2 LYS 14 3.067 3.528 17.987 745 2HD LYS 14 HD1 LYS 14 2.289 4.269 16.585 746 1HE LYS 14 HE2 LYS 14 1.021 2.277 18.468 747 2HE LYS 14 HE1 LYS 14 0.724 4.015 18.454 748 1HZ LYS 14 HZ1 LYS 14 -1.001 2.715 17.296 749 2HZ LYS 14 HZ2 LYS 14 0.155 2.194 16.166 750 3HZ LYS 14 HZ3 LYS 14 -0.244 3.846 16.281 751 H ILE 15 HN ILE 15 4.052 3.075 12.854 752 HA ILE 15 HA ILE 15 1.388 2.600 12.178 753 HB ILE 15 HB ILE 15 3.528 3.721 10.360 754 1HG1 ILE 15 HG12 ILE 15 1.655 5.193 12.222 755 2HG1 ILE 15 HG11 ILE 15 3.336 4.836 12.604 756 1HG2 ILE 15 HG21 ILE 15 1.465 3.116 9.191 757 2HG2 ILE 15 HG22 ILE 15 1.665 4.867 9.258 758 3HG2 ILE 15 HG23 ILE 15 0.529 4.068 10.345 759 1HD1 ILE 15 HD11 ILE 15 3.062 7.117 11.826 760 2HD1 ILE 15 HD12 ILE 15 2.371 6.529 10.312 761 3HD1 ILE 15 HD13 ILE 15 4.054 6.182 10.709 762 H ILE 16 HN ILE 16 4.354 1.434 10.589 763 HA ILE 16 HA ILE 16 3.100 -0.093 8.593 764 HB ILE 16 HB ILE 16 5.761 -0.624 9.932 765 1HG1 ILE 16 HG12 ILE 16 5.150 0.901 7.390 766 2HG1 ILE 16 HG11 ILE 16 5.513 1.653 8.939 767 1HG2 ILE 16 HG21 ILE 16 4.939 -2.560 8.684 768 2HG2 ILE 16 HG22 ILE 16 6.327 -1.828 7.874 769 3HG2 ILE 16 HG23 ILE 16 4.698 -1.545 7.262 770 1HD1 ILE 16 HD11 ILE 16 7.732 0.640 8.912 771 2HD1 ILE 16 HD12 ILE 16 7.454 1.639 7.485 772 3HD1 ILE 16 HD13 ILE 16 7.364 -0.118 7.363 773 H GLN 17 HN GLN 17 4.130 -0.934 11.878 774 HA GLN 17 HA GLN 17 3.454 -3.667 11.744 775 1HB GLN 17 HB2 GLN 17 4.941 -2.701 13.457 776 2HB GLN 17 HB1 GLN 17 3.570 -1.867 14.169 777 1HG GLN 17 HG2 GLN 17 4.173 -3.883 15.412 778 2HG GLN 17 HG1 GLN 17 2.543 -3.985 14.747 779 1HE2 GLN 17 HE21 GLN 17 2.116 -5.427 13.097 780 2HE2 GLN 17 HE22 GLN 17 3.200 -6.714 12.682 781 H ASP 18 HN ASP 18 1.590 -0.811 12.713 782 HA ASP 18 HA ASP 18 -0.700 -2.244 13.580 783 1HB ASP 18 HB2 ASP 18 -0.174 0.601 12.825 784 2HB ASP 18 HB1 ASP 18 -1.840 0.056 12.975 785 H LEU 19 HN LEU 19 0.276 -0.923 10.457 786 HA LEU 19 HA LEU 19 -2.088 -1.501 9.047 787 1HB LEU 19 HB2 LEU 19 0.772 -1.489 8.069 788 2HB LEU 19 HB1 LEU 19 -0.640 -1.517 7.032 789 HG LEU 19 HG LEU 19 0.038 0.718 8.943 790 1HD1 LEU 19 HD11 LEU 19 0.385 0.530 5.956 791 2HD1 LEU 19 HD12 LEU 19 1.674 0.587 7.159 792 3HD1 LEU 19 HD13 LEU 19 0.621 1.982 6.929 793 1HD2 LEU 19 HD21 LEU 19 -2.048 0.512 6.774 794 2HD2 LEU 19 HD22 LEU 19 -1.697 1.945 7.738 795 3HD2 LEU 19 HD23 LEU 19 -2.353 0.503 8.510 796 H LEU 20 HN LEU 20 0.871 -3.409 9.522 797 HA LEU 20 HA LEU 20 -0.033 -5.726 8.177 798 1HB LEU 20 HB2 LEU 20 1.997 -5.445 10.396 799 2HB LEU 20 HB1 LEU 20 1.783 -6.878 9.408 800 HG LEU 20 HG LEU 20 2.659 -4.173 8.387 801 1HD1 LEU 20 HD11 LEU 20 4.381 -5.181 9.753 802 2HD1 LEU 20 HD12 LEU 20 4.834 -5.281 8.051 803 3HD1 LEU 20 HD13 LEU 20 4.217 -6.706 8.883 804 1HD2 LEU 20 HD21 LEU 20 3.120 -5.343 6.303 805 2HD2 LEU 20 HD22 LEU 20 1.411 -5.468 6.723 806 3HD2 LEU 20 HD23 LEU 20 2.488 -6.841 6.987 807 H ASP 21 HN ASP 21 -0.407 -4.541 11.434 808 HA ASP 21 HA ASP 21 -1.314 -6.865 12.706 809 1HB ASP 21 HB2 ASP 21 -0.686 -4.794 13.891 810 2HB ASP 21 HB1 ASP 21 -2.112 -4.001 13.236 811 H VAL 22 HN VAL 22 -3.113 -4.316 10.996 812 HA VAL 22 HA VAL 22 -5.670 -5.462 11.350 813 HB VAL 22 HB VAL 22 -4.705 -3.703 9.086 814 1HG1 VAL 22 HG11 VAL 22 -7.507 -4.296 10.040 815 2HG1 VAL 22 HG12 VAL 22 -6.786 -4.829 8.520 816 3HG1 VAL 22 HG13 VAL 22 -7.070 -3.113 8.808 817 1HG2 VAL 22 HG21 VAL 22 -5.689 -1.863 10.385 818 2HG2 VAL 22 HG22 VAL 22 -4.360 -2.646 11.241 819 3HG2 VAL 22 HG23 VAL 22 -6.028 -2.989 11.700 820 H LEU 23 HN LEU 23 -3.152 -5.927 8.950 821 HA LEU 23 HA LEU 23 -4.647 -7.522 7.161 822 1HB LEU 23 HB2 LEU 23 -1.669 -7.528 7.660 823 2HB LEU 23 HB1 LEU 23 -2.475 -8.222 6.267 824 HG LEU 23 HG LEU 23 -2.375 -5.293 6.980 825 1HD1 LEU 23 HD11 LEU 23 -1.035 -5.095 4.944 826 2HD1 LEU 23 HD12 LEU 23 -1.081 -6.848 4.749 827 3HD1 LEU 23 HD13 LEU 23 -0.262 -6.135 6.140 828 1HD2 LEU 23 HD21 LEU 23 -3.492 -4.920 4.844 829 2HD2 LEU 23 HD22 LEU 23 -4.498 -5.879 5.929 830 3HD2 LEU 23 HD23 LEU 23 -3.634 -6.663 4.607 831 H VAL 24 HN VAL 24 -2.709 -8.289 10.011 832 HA VAL 24 HA VAL 24 -3.068 -11.127 9.769 833 HB VAL 24 HB VAL 24 -2.247 -9.489 12.179 834 1HG1 VAL 24 HG11 VAL 24 -3.111 -11.653 12.855 835 2HG1 VAL 24 HG12 VAL 24 -1.359 -11.608 13.059 836 3HG1 VAL 24 HG13 VAL 24 -2.066 -12.457 11.684 837 1HG2 VAL 24 HG21 VAL 24 -0.689 -9.247 10.323 838 2HG2 VAL 24 HG22 VAL 24 -0.575 -11.001 10.174 839 3HG2 VAL 24 HG23 VAL 24 0.033 -10.197 11.622 840 H LYS 25 HN LYS 25 -4.612 -8.516 11.565 841 HA LYS 25 HA LYS 25 -6.454 -9.880 13.098 842 1HB LYS 25 HB2 LYS 25 -6.298 -7.547 13.364 843 2HB LYS 25 HB1 LYS 25 -6.539 -7.248 11.652 844 1HG LYS 25 HG2 LYS 25 -8.869 -7.787 11.826 845 2HG LYS 25 HG1 LYS 25 -8.664 -8.289 13.507 846 1HD LYS 25 HD2 LYS 25 -8.211 -6.072 14.212 847 2HD LYS 25 HD1 LYS 25 -8.003 -5.511 12.553 848 1HE LYS 25 HE2 LYS 25 -10.615 -6.607 13.565 849 2HE LYS 25 HE1 LYS 25 -10.185 -4.905 13.721 850 1HZ LYS 25 HZ1 LYS 25 -11.528 -5.444 11.726 851 2HZ LYS 25 HZ2 LYS 25 -10.234 -6.360 11.133 852 3HZ LYS 25 HZ3 LYS 25 -10.053 -4.682 11.370 853 H GLU 26 HN GLU 26 -6.725 -8.978 9.679 854 HA GLU 26 HA GLU 26 -9.266 -10.381 9.450 855 1HB GLU 26 HB2 GLU 26 -7.610 -8.921 7.385 856 2HB GLU 26 HB1 GLU 26 -9.203 -9.606 7.101 857 1HG GLU 26 HG2 GLU 26 -8.530 -7.369 8.996 858 2HG GLU 26 HG1 GLU 26 -9.358 -7.225 7.445 859 H GLU 27 HN GLU 27 -6.011 -11.148 9.265 860 HA GLU 27 HA GLU 27 -4.704 -12.639 8.163 861 1HB GLU 27 HB2 GLU 27 -7.248 -14.219 8.490 862 2HB GLU 27 HB1 GLU 27 -5.792 -14.919 7.797 863 1HG GLU 27 HG2 GLU 27 -4.644 -14.090 9.954 864 2HG GLU 27 HG1 GLU 27 -6.286 -13.976 10.590 865 H VAL 28 HN VAL 28 -5.176 -10.867 6.461 866 HA VAL 28 HA VAL 28 -6.827 -11.530 4.244 867 HB VAL 28 HB VAL 28 -5.835 -9.625 3.124 868 1HG1 VAL 28 HG11 VAL 28 -7.533 -9.163 4.792 869 2HG1 VAL 28 HG12 VAL 28 -6.334 -7.869 4.754 870 3HG1 VAL 28 HG13 VAL 28 -6.298 -9.069 6.047 871 1HG2 VAL 28 HG21 VAL 28 -3.506 -9.990 3.725 872 2HG2 VAL 28 HG22 VAL 28 -3.856 -9.550 5.396 873 3HG2 VAL 28 HG23 VAL 28 -4.002 -8.344 4.116 874 H THR 29 HN THR 29 -6.096 -11.865 2.071 875 HA THR 29 HA THR 29 -3.753 -13.579 1.874 876 HB THR 29 HB THR 29 -4.597 -14.010 -0.432 877 HG1 THR 29 HG1 THR 29 -6.813 -13.169 -0.808 878 1HG2 THR 29 HG21 THR 29 -5.334 -15.474 1.373 879 2HG2 THR 29 HG22 THR 29 -6.651 -15.221 0.228 880 3HG2 THR 29 HG23 THR 29 -6.645 -14.362 1.768 881 HA PRO 30 HA PRO 30 -1.027 -10.691 -0.206 882 1HB PRO 30 HB2 PRO 30 -1.272 -12.490 -2.579 883 2HB PRO 30 HB1 PRO 30 0.178 -11.809 -1.831 884 1HG PRO 30 HG2 PRO 30 -0.495 -14.351 -1.423 885 2HG PRO 30 HG1 PRO 30 0.177 -13.365 -0.110 886 1HD PRO 30 HD2 PRO 30 -2.622 -14.268 -0.563 887 2HD PRO 30 HD1 PRO 30 -1.760 -13.971 0.960 888 H ASP 31 HN ASP 31 -3.541 -12.045 -2.358 889 HA ASP 31 HA ASP 31 -3.691 -9.797 -4.065 890 1HB ASP 31 HB2 ASP 31 -5.603 -12.061 -3.511 891 2HB ASP 31 HB1 ASP 31 -5.992 -10.777 -4.651 892 H LEU 32 HN LEU 32 -5.570 -10.746 -1.219 893 HA LEU 32 HA LEU 32 -7.453 -8.650 -1.373 894 1HB LEU 32 HB2 LEU 32 -7.803 -10.689 -0.055 895 2HB LEU 32 HB1 LEU 32 -6.522 -10.206 1.039 896 HG LEU 32 HG LEU 32 -7.851 -8.266 1.750 897 1HD1 LEU 32 HD11 LEU 32 -10.199 -8.087 1.074 898 2HD1 LEU 32 HD12 LEU 32 -9.961 -9.399 -0.080 899 3HD1 LEU 32 HD13 LEU 32 -9.105 -7.872 -0.293 900 1HD2 LEU 32 HD21 LEU 32 -8.029 -10.380 2.963 901 2HD2 LEU 32 HD22 LEU 32 -9.350 -10.876 1.906 902 3HD2 LEU 32 HD23 LEU 32 -9.555 -9.495 2.984 903 H ALA 33 HN ALA 33 -4.337 -8.933 0.278 904 HA ALA 33 HA ALA 33 -4.490 -6.515 1.719 905 1HB ALA 33 HB1 ALA 33 -2.880 -8.272 2.256 906 2HB ALA 33 HB2 ALA 33 -2.076 -6.726 1.982 907 3HB ALA 33 HB3 ALA 33 -2.043 -7.971 0.734 908 H LEU 34 HN LEU 34 -3.040 -7.295 -1.423 909 HA LEU 34 HA LEU 34 -1.999 -4.759 -1.981 910 1HB LEU 34 HB2 LEU 34 -3.029 -6.855 -3.897 911 2HB LEU 34 HB1 LEU 34 -2.063 -5.468 -4.359 912 HG LEU 34 HG LEU 34 -1.162 -7.720 -2.559 913 1HD1 LEU 34 HD11 LEU 34 -1.354 -8.413 -4.876 914 2HD1 LEU 34 HD12 LEU 34 0.342 -8.270 -4.416 915 3HD1 LEU 34 HD13 LEU 34 -0.416 -7.012 -5.393 916 1HD2 LEU 34 HD21 LEU 34 -0.142 -5.598 -1.931 917 2HD2 LEU 34 HD22 LEU 34 0.345 -5.326 -3.604 918 3HD2 LEU 34 HD23 LEU 34 1.040 -6.666 -2.690 919 H MET 35 HN MET 35 -5.170 -6.144 -2.718 920 HA MET 35 HA MET 35 -6.167 -3.986 -4.230 921 1HB MET 35 HB2 MET 35 -7.215 -6.181 -4.266 922 2HB MET 35 HB1 MET 35 -7.632 -6.038 -2.566 923 1HG MET 35 HG2 MET 35 -9.185 -4.283 -3.020 924 2HG MET 35 HG1 MET 35 -8.660 -4.188 -4.700 925 1HE MET 35 HE1 MET 35 -9.158 -7.517 -2.665 926 2HE MET 35 HE2 MET 35 -10.861 -7.859 -2.968 927 3HE MET 35 HE3 MET 35 -10.402 -6.461 -1.997 928 H CYS 36 HN CYS 36 -6.242 -4.639 -0.751 929 HA CYS 36 HA CYS 36 -7.908 -2.388 -0.166 930 1HB CYS 36 HB2 CYS 36 -6.118 -3.991 1.668 931 2HB CYS 36 HB1 CYS 36 -7.371 -2.862 2.178 932 HG CYS 36 HG CYS 36 -7.774 -5.909 0.697 933 H LEU 37 HN LEU 37 -4.424 -3.038 0.175 934 HA LEU 37 HA LEU 37 -3.760 -0.547 1.302 935 1HB LEU 37 HB2 LEU 37 -2.077 -2.499 -0.266 936 2HB LEU 37 HB1 LEU 37 -1.432 -1.105 0.579 937 HG LEU 37 HG LEU 37 -2.914 -3.373 1.915 938 1HD1 LEU 37 HD11 LEU 37 -0.739 -4.088 2.727 939 2HD1 LEU 37 HD12 LEU 37 0.044 -2.794 1.820 940 3HD1 LEU 37 HD13 LEU 37 -0.772 -4.102 0.964 941 1HD2 LEU 37 HD21 LEU 37 -2.052 -2.383 3.977 942 2HD2 LEU 37 HD22 LEU 37 -3.079 -1.245 3.106 943 3HD2 LEU 37 HD23 LEU 37 -1.325 -1.072 3.050 944 H GLY 38 HN GLY 38 -3.559 -1.695 -2.070 945 1HA GLY 38 HA2 GLY 38 -2.464 0.677 -3.128 946 2HA GLY 38 HA1 GLY 38 -3.331 -0.546 -4.044 947 H ASN 39 HN ASN 39 -5.788 -0.307 -2.566 948 HA ASN 39 HA ASN 39 -7.016 1.798 -4.030 949 1HB ASN 39 HB2 ASN 39 -8.020 -0.424 -3.158 950 2HB ASN 39 HB1 ASN 39 -8.230 0.431 -1.635 951 1HD2 ASN 39 HD21 ASN 39 -10.101 -0.706 -3.649 952 2HD2 ASN 39 HD22 ASN 39 -11.199 0.582 -4.013 953 H ALA 40 HN ALA 40 -6.084 1.355 -0.652 954 HA ALA 40 HA ALA 40 -7.045 3.812 0.328 955 1HB ALA 40 HB1 ALA 40 -5.523 3.431 2.215 956 2HB ALA 40 HB2 ALA 40 -4.747 2.127 1.314 957 3HB ALA 40 HB3 ALA 40 -6.434 1.978 1.802 958 H VAL 41 HN VAL 41 -3.879 2.864 -0.979 959 HA VAL 41 HA VAL 41 -2.509 5.261 -0.560 960 HB VAL 41 HB VAL 41 -2.190 3.345 -2.887 961 1HG1 VAL 41 HG11 VAL 41 -1.136 5.484 -3.361 962 2HG1 VAL 41 HG12 VAL 41 0.088 4.253 -3.052 963 3HG1 VAL 41 HG13 VAL 41 -0.302 5.438 -1.807 964 1HG2 VAL 41 HG21 VAL 41 -1.916 2.251 -0.715 965 2HG2 VAL 41 HG22 VAL 41 -0.729 3.471 -0.249 966 3HG2 VAL 41 HG23 VAL 41 -0.379 2.363 -1.575 967 H THR 42 HN THR 42 -4.649 4.278 -3.181 968 HA THR 42 HA THR 42 -4.206 6.419 -4.926 969 HB THR 42 HB THR 42 -6.778 4.875 -4.524 970 HG1 THR 42 HG1 THR 42 -5.051 3.467 -4.995 971 1HG2 THR 42 HG21 THR 42 -7.211 5.439 -6.881 972 2HG2 THR 42 HG22 THR 42 -5.752 6.429 -6.904 973 3HG2 THR 42 HG23 THR 42 -7.108 6.882 -5.872 974 H ASN 43 HN ASN 43 -6.430 6.095 -2.190 975 HA ASN 43 HA ASN 43 -7.636 8.666 -2.651 976 1HB ASN 43 HB2 ASN 43 -7.897 6.576 -0.523 977 2HB ASN 43 HB1 ASN 43 -8.537 8.192 -0.240 978 1HD2 ASN 43 HD21 ASN 43 -10.650 7.408 -0.164 979 2HD2 ASN 43 HD22 ASN 43 -11.487 6.920 -1.602 980 H ILE 44 HN ILE 44 -4.901 7.478 -0.916 981 HA ILE 44 HA ILE 44 -4.603 9.734 0.822 982 HB ILE 44 HB ILE 44 -2.615 7.639 -0.066 983 1HG1 ILE 44 HG12 ILE 44 -4.426 6.755 1.307 984 2HG1 ILE 44 HG11 ILE 44 -2.925 6.764 2.225 985 1HG2 ILE 44 HG21 ILE 44 -1.174 8.427 1.754 986 2HG2 ILE 44 HG22 ILE 44 -2.291 9.756 2.057 987 3HG2 ILE 44 HG23 ILE 44 -1.420 9.668 0.526 988 1HD1 ILE 44 HD11 ILE 44 -3.650 8.813 3.357 989 2HD1 ILE 44 HD12 ILE 44 -4.777 7.478 3.601 990 3HD1 ILE 44 HD13 ILE 44 -5.164 8.760 2.453 991 H ILE 45 HN ILE 45 -3.187 8.760 -2.277 992 HA ILE 45 HA ILE 45 -1.473 10.969 -2.585 993 HB ILE 45 HB ILE 45 -2.749 9.230 -4.704 994 1HG1 ILE 45 HG12 ILE 45 -0.021 9.092 -3.401 995 2HG1 ILE 45 HG11 ILE 45 -1.372 8.028 -3.028 996 1HG2 ILE 45 HG21 ILE 45 -1.967 11.297 -5.699 997 2HG2 ILE 45 HG22 ILE 45 -0.889 9.973 -6.147 998 3HG2 ILE 45 HG23 ILE 45 -0.405 11.120 -4.898 999 1HD1 ILE 45 HD11 ILE 45 0.043 8.239 -5.670 1000 2HD1 ILE 45 HD12 ILE 45 -1.334 7.194 -5.325 1001 3HD1 ILE 45 HD13 ILE 45 0.199 6.936 -4.495 1002 H ALA 46 HN ALA 46 -4.883 10.572 -3.127 1003 HA ALA 46 HA ALA 46 -5.264 12.868 -4.764 1004 1HB ALA 46 HB1 ALA 46 -7.233 11.433 -2.981 1005 2HB ALA 46 HB2 ALA 46 -6.889 11.040 -4.666 1006 3HB ALA 46 HB3 ALA 46 -7.635 12.584 -4.258 1007 H GLN 47 HN GLN 47 -4.636 12.443 -1.435 1008 HA GLN 47 HA GLN 47 -5.754 15.027 -0.671 1009 1HB GLN 47 HB2 GLN 47 -4.182 13.034 0.975 1010 2HB GLN 47 HB1 GLN 47 -5.038 14.441 1.591 1011 1HG GLN 47 HG2 GLN 47 -7.151 13.495 0.978 1012 2HG GLN 47 HG1 GLN 47 -6.357 12.142 0.174 1013 1HE2 GLN 47 HE21 GLN 47 -7.351 10.602 1.436 1014 2HE2 GLN 47 HE22 GLN 47 -6.968 10.368 3.104 1015 H VAL 48 HN VAL 48 -2.775 13.537 -1.528 1016 HA VAL 48 HA VAL 48 -0.935 15.442 -0.547 1017 HB VAL 48 HB VAL 48 -0.680 13.743 -3.041 1018 1HG1 VAL 48 HG11 VAL 48 1.055 15.447 -2.835 1019 2HG1 VAL 48 HG12 VAL 48 1.720 13.829 -2.615 1020 3HG1 VAL 48 HG13 VAL 48 1.439 14.864 -1.216 1021 1HG2 VAL 48 HG21 VAL 48 -0.038 13.031 -0.185 1022 2HG2 VAL 48 HG22 VAL 48 0.377 12.058 -1.595 1023 3HG2 VAL 48 HG23 VAL 48 -1.316 12.332 -1.180 1024 HA PRO 49 HA PRO 49 -1.554 19.149 -3.015 1025 1HB PRO 49 HB2 PRO 49 1.376 18.726 -3.484 1026 2HB PRO 49 HB1 PRO 49 0.504 20.218 -3.107 1027 1HG PRO 49 HG2 PRO 49 1.840 18.879 -1.214 1028 2HG PRO 49 HG1 PRO 49 0.310 19.702 -0.865 1029 1HD PRO 49 HD2 PRO 49 0.891 16.816 -1.038 1030 2HD PRO 49 HD1 PRO 49 -0.440 17.654 -0.215 1031 H GLU 50 HN GLU 50 -2.309 19.280 -5.011 1032 HA GLU 50 HA GLU 50 -2.380 17.105 -6.716 1033 1HB GLU 50 HB2 GLU 50 -4.013 18.978 -6.646 1034 2HB GLU 50 HB1 GLU 50 -2.844 19.986 -7.489 1035 1HG GLU 50 HG2 GLU 50 -2.991 18.690 -9.450 1036 2HG GLU 50 HG1 GLU 50 -3.836 17.387 -8.615 1037 H SER 51 HN SER 51 -0.224 19.881 -6.809 1038 HA SER 51 HA SER 51 0.766 19.491 -9.404 1039 1HB SER 51 HB2 SER 51 1.034 21.574 -8.090 1040 2HB SER 51 HB1 SER 51 2.184 20.747 -7.043 1041 HG SER 51 HG SER 51 2.484 21.087 -9.852 1042 H LYS 52 HN LYS 52 1.503 17.798 -6.445 1043 HA LYS 52 HA LYS 52 3.866 16.626 -7.755 1044 1HB LYS 52 HB2 LYS 52 4.718 16.064 -5.563 1045 2HB LYS 52 HB1 LYS 52 4.330 17.777 -5.621 1046 1HG LYS 52 HG2 LYS 52 2.367 17.463 -4.326 1047 2HG LYS 52 HG1 LYS 52 2.479 15.709 -4.468 1048 1HD LYS 52 HD2 LYS 52 3.235 16.283 -2.288 1049 2HD LYS 52 HD1 LYS 52 4.658 15.844 -3.230 1050 1HE LYS 52 HE2 LYS 52 5.124 18.230 -3.600 1051 2HE LYS 52 HE1 LYS 52 3.720 18.644 -2.616 1052 1HZ LYS 52 HZ1 LYS 52 5.605 18.802 -1.230 1053 2HZ LYS 52 HZ2 LYS 52 6.214 17.310 -1.739 1054 3HZ LYS 52 HZ3 LYS 52 4.818 17.369 -0.776 1055 H ARG 53 HN ARG 53 0.718 15.920 -7.400 1056 HA ARG 53 HA ARG 53 0.630 13.408 -6.163 1057 1HB ARG 53 HB2 ARG 53 -1.131 14.582 -8.313 1058 2HB ARG 53 HB1 ARG 53 -1.456 13.035 -7.539 1059 1HG ARG 53 HG2 ARG 53 -1.551 14.166 -5.362 1060 2HG ARG 53 HG1 ARG 53 -1.288 15.709 -6.171 1061 1HD ARG 53 HD2 ARG 53 -3.367 15.304 -7.483 1062 2HD ARG 53 HD1 ARG 53 -3.645 13.858 -6.512 1063 HE ARG 53 HE ARG 53 -3.431 15.646 -4.589 1064 1HH1 ARG 53 HH11 ARG 53 -5.198 15.852 -7.597 1065 2HH1 ARG 53 HH12 ARG 53 -6.282 17.071 -7.032 1066 1HH2 ARG 53 HH21 ARG 53 -4.874 17.222 -3.812 1067 2HH2 ARG 53 HH22 ARG 53 -6.125 17.825 -4.852 1068 H VAL 54 HN VAL 54 1.228 14.244 -9.551 1069 HA VAL 54 HA VAL 54 1.295 11.562 -10.483 1070 HB VAL 54 HB VAL 54 2.640 13.978 -11.710 1071 1HG1 VAL 54 HG11 VAL 54 3.430 11.884 -12.656 1072 2HG1 VAL 54 HG12 VAL 54 2.409 12.730 -13.820 1073 3HG1 VAL 54 HG13 VAL 54 1.770 11.352 -12.922 1074 1HG2 VAL 54 HG21 VAL 54 0.287 14.429 -11.346 1075 2HG2 VAL 54 HG22 VAL 54 -0.149 12.907 -12.123 1076 3HG2 VAL 54 HG23 VAL 54 0.601 14.195 -13.067 1077 H ALA 55 HN ALA 55 3.698 13.761 -9.187 1078 HA ALA 55 HA ALA 55 5.969 12.209 -9.900 1079 1HB ALA 55 HB1 ALA 55 7.204 13.687 -8.407 1080 2HB ALA 55 HB2 ALA 55 5.689 14.321 -7.765 1081 3HB ALA 55 HB3 ALA 55 6.122 14.606 -9.451 1082 H VAL 56 HN VAL 56 4.102 12.557 -6.885 1083 HA VAL 56 HA VAL 56 5.806 10.866 -5.392 1084 HB VAL 56 HB VAL 56 4.047 10.808 -3.682 1085 1HG1 VAL 56 HG11 VAL 56 4.583 13.524 -4.872 1086 2HG1 VAL 56 HG12 VAL 56 5.586 12.662 -3.705 1087 3HG1 VAL 56 HG13 VAL 56 3.984 13.232 -3.239 1088 1HG2 VAL 56 HG21 VAL 56 2.401 12.358 -5.682 1089 2HG2 VAL 56 HG22 VAL 56 1.978 12.088 -3.991 1090 3HG2 VAL 56 HG23 VAL 56 2.075 10.724 -5.102 1091 H VAL 57 HN VAL 57 2.926 10.182 -7.335 1092 HA VAL 57 HA VAL 57 2.670 7.520 -6.324 1093 HB VAL 57 HB VAL 57 0.726 8.653 -7.301 1094 1HG1 VAL 57 HG11 VAL 57 0.490 8.883 -9.728 1095 2HG1 VAL 57 HG12 VAL 57 2.165 8.369 -9.936 1096 3HG1 VAL 57 HG13 VAL 57 1.802 9.879 -9.100 1097 1HG2 VAL 57 HG21 VAL 57 -0.114 6.775 -8.630 1098 2HG2 VAL 57 HG22 VAL 57 0.754 6.229 -7.196 1099 3HG2 VAL 57 HG23 VAL 57 1.529 6.150 -8.778 1100 H ASP 58 HN ASP 58 4.317 8.967 -9.106 1101 HA ASP 58 HA ASP 58 4.978 6.450 -10.280 1102 1HB ASP 58 HB2 ASP 58 4.956 8.605 -11.543 1103 2HB ASP 58 HB1 ASP 58 6.413 9.074 -10.669 1104 H ASN 59 HN ASN 59 6.714 8.724 -8.186 1105 HA ASN 59 HA ASN 59 9.080 7.209 -7.952 1106 1HB ASN 59 HB2 ASN 59 7.799 9.325 -6.256 1107 2HB ASN 59 HB1 ASN 59 9.198 8.449 -5.645 1108 1HD2 ASN 59 HD21 ASN 59 8.033 10.655 -8.075 1109 2HD2 ASN 59 HD22 ASN 59 9.591 11.227 -8.582 1110 H PHE 60 HN PHE 60 5.992 7.056 -6.312 1111 HA PHE 60 HA PHE 60 6.669 5.224 -4.289 1112 1HB PHE 60 HB2 PHE 60 4.504 6.536 -4.530 1113 2HB PHE 60 HB1 PHE 60 4.028 5.365 -5.753 1114 HD1 PHE 60 HD1 PHE 60 5.231 5.491 -2.230 1115 HD2 PHE 60 HD2 PHE 60 2.776 3.564 -5.116 1116 HE1 PHE 60 HE1 PHE 60 4.309 4.043 -0.470 1117 HE2 PHE 60 HE2 PHE 60 1.850 2.107 -3.362 1118 HZ PHE 60 HZ PHE 60 2.618 2.346 -1.035 1119 H THR 61 HN THR 61 5.296 4.716 -7.533 1120 HA THR 61 HA THR 61 5.369 1.905 -7.406 1121 HB THR 61 HB THR 61 5.106 1.974 -9.885 1122 HG1 THR 61 HG1 THR 61 5.994 4.529 -9.509 1123 1HG2 THR 61 HG21 THR 61 2.909 3.059 -9.857 1124 2HG2 THR 61 HG22 THR 61 3.315 3.842 -8.330 1125 3HG2 THR 61 HG23 THR 61 3.163 2.084 -8.408 1126 H LYS 62 HN LYS 62 7.726 4.286 -8.544 1127 HA LYS 62 HA LYS 62 9.639 2.539 -9.602 1128 1HB LYS 62 HB2 LYS 62 9.587 5.288 -8.625 1129 2HB LYS 62 HB1 LYS 62 11.125 4.499 -8.317 1130 1HG LYS 62 HG2 LYS 62 11.274 5.647 -10.396 1131 2HG LYS 62 HG1 LYS 62 11.245 3.916 -10.728 1132 1HD LYS 62 HD2 LYS 62 8.905 4.040 -11.336 1133 2HD LYS 62 HD1 LYS 62 8.859 5.752 -10.909 1134 1HE LYS 62 HE2 LYS 62 10.558 6.192 -12.651 1135 2HE LYS 62 HE1 LYS 62 10.492 4.492 -13.110 1136 1HZ LYS 62 HZ1 LYS 62 8.206 6.387 -13.207 1137 2HZ LYS 62 HZ2 LYS 62 8.176 4.765 -13.697 1138 3HZ LYS 62 HZ3 LYS 62 9.123 5.882 -14.545 1139 H ALA 63 HN ALA 63 9.476 3.883 -6.305 1140 HA ALA 63 HA ALA 63 11.627 2.432 -5.251 1141 1HB ALA 63 HB1 ALA 63 10.813 3.089 -3.075 1142 2HB ALA 63 HB2 ALA 63 9.228 3.471 -3.748 1143 3HB ALA 63 HB3 ALA 63 10.634 4.434 -4.203 1144 H LEU 64 HN LEU 64 8.178 1.685 -5.382 1145 HA LEU 64 HA LEU 64 8.083 -0.577 -3.793 1146 1HB LEU 64 HB2 LEU 64 6.526 0.442 -6.088 1147 2HB LEU 64 HB1 LEU 64 6.358 -1.270 -5.751 1148 HG LEU 64 HG LEU 64 5.857 0.912 -3.723 1149 1HD1 LEU 64 HD11 LEU 64 3.920 -0.688 -5.387 1150 2HD1 LEU 64 HD12 LEU 64 4.245 1.039 -5.539 1151 3HD1 LEU 64 HD13 LEU 64 3.490 0.407 -4.075 1152 1HD2 LEU 64 HD21 LEU 64 6.504 -1.228 -2.747 1153 2HD2 LEU 64 HD22 LEU 64 5.263 -2.044 -3.699 1154 3HD2 LEU 64 HD23 LEU 64 4.799 -0.889 -2.451 1155 H LYS 65 HN LYS 65 8.396 -0.635 -7.361 1156 HA LYS 65 HA LYS 65 8.908 -3.431 -7.308 1157 1HB LYS 65 HB2 LYS 65 9.335 -1.498 -9.593 1158 2HB LYS 65 HB1 LYS 65 9.243 -3.253 -9.716 1159 1HG LYS 65 HG2 LYS 65 6.915 -2.940 -8.594 1160 2HG LYS 65 HG1 LYS 65 7.072 -1.279 -9.162 1161 1HD LYS 65 HD2 LYS 65 7.209 -3.756 -10.879 1162 2HD LYS 65 HD1 LYS 65 5.829 -2.669 -10.746 1163 1HE LYS 65 HE2 LYS 65 7.271 -0.834 -11.600 1164 2HE LYS 65 HE1 LYS 65 8.551 -2.020 -11.863 1165 1HZ LYS 65 HZ1 LYS 65 6.810 -3.254 -13.238 1166 2HZ LYS 65 HZ2 LYS 65 7.490 -1.854 -13.914 1167 3HZ LYS 65 HZ3 LYS 65 5.941 -1.797 -13.234 1168 H GLN 66 HN GLN 66 10.927 -0.680 -6.984 1169 HA GLN 66 HA GLN 66 13.385 -1.867 -7.771 1170 1HB GLN 66 HB2 GLN 66 13.073 0.572 -7.526 1171 2HB GLN 66 HB1 GLN 66 12.856 0.368 -5.796 1172 1HG GLN 66 HG2 GLN 66 15.379 -0.548 -7.111 1173 2HG GLN 66 HG1 GLN 66 15.139 1.154 -6.734 1174 1HE2 GLN 66 HE21 GLN 66 17.090 -0.731 -5.665 1175 2HE2 GLN 66 HE22 GLN 66 16.839 -0.757 -3.953 1176 H SER 67 HN SER 67 11.673 -1.626 -4.677 1177 HA SER 67 HA SER 67 13.737 -3.156 -3.326 1178 1HB SER 67 HB2 SER 67 11.117 -2.008 -2.339 1179 2HB SER 67 HB1 SER 67 12.301 -2.825 -1.318 1180 HG SER 67 HG SER 67 13.268 -0.755 -2.903 1181 H VAL 68 HN VAL 68 10.774 -3.781 -4.943 1182 HA VAL 68 HA VAL 68 10.229 -6.244 -3.542 1183 HB VAL 68 HB VAL 68 8.988 -5.030 -6.010 1184 1HG1 VAL 68 HG11 VAL 68 8.920 -7.458 -6.232 1185 2HG1 VAL 68 HG12 VAL 68 7.311 -6.822 -5.888 1186 3HG1 VAL 68 HG13 VAL 68 8.244 -7.601 -4.609 1187 1HG2 VAL 68 HG21 VAL 68 7.034 -4.777 -4.556 1188 2HG2 VAL 68 HG22 VAL 68 8.441 -3.941 -3.895 1189 3HG2 VAL 68 HG23 VAL 68 7.938 -5.491 -3.219 1190 H LEU 69 HN LEU 69 11.406 -5.405 -6.816 1191 HA LEU 69 HA LEU 69 11.665 -8.081 -7.680 1192 1HB LEU 69 HB2 LEU 69 13.098 -5.598 -8.624 1193 2HB LEU 69 HB1 LEU 69 13.142 -7.144 -9.449 1194 HG LEU 69 HG LEU 69 10.693 -5.428 -9.023 1195 1HD1 LEU 69 HD11 LEU 69 12.232 -4.540 -10.697 1196 2HD1 LEU 69 HD12 LEU 69 10.753 -5.146 -11.443 1197 3HD1 LEU 69 HD13 LEU 69 12.235 -6.097 -11.524 1198 1HD2 LEU 69 HD21 LEU 69 10.117 -7.784 -8.951 1199 2HD2 LEU 69 HD22 LEU 69 10.993 -8.061 -10.457 1200 3HD2 LEU 69 HD23 LEU 69 9.550 -7.047 -10.450 1201 H GLU 70 HN GLU 70 14.117 -5.790 -6.496 1202 HA GLU 70 HA GLU 70 15.806 -8.087 -5.809 1203 1HB GLU 70 HB2 GLU 70 16.514 -5.729 -6.983 1204 2HB GLU 70 HB1 GLU 70 16.806 -5.352 -5.291 1205 1HG GLU 70 HG2 GLU 70 18.007 -7.621 -6.860 1206 2HG GLU 70 HG1 GLU 70 18.827 -6.156 -6.328 1207 H HIS 71 HN HIS 71 14.677 -8.812 -4.015 1208 HA HIS 71 HA HIS 71 13.924 -6.839 -1.981 1209 1HB HIS 71 HB2 HIS 71 12.293 -8.548 -3.067 1210 2HB HIS 71 HB1 HIS 71 13.056 -9.716 -1.992 1211 HD1 HIS 71 HD1 HIS 71 12.754 -9.270 0.619 1212 HD2 HIS 71 HD2 HIS 71 10.433 -6.908 -1.894 1213 HE1 HIS 71 HE1 HIS 71 10.971 -8.278 2.082 1214 HE2 HIS 71 HE2 HIS 71 9.459 -7.035 0.494 1215 H HIS 72 HN HIS 72 14.677 -6.891 0.072 1216 HA HIS 72 HA HIS 72 16.940 -8.535 0.700 1217 1HB HIS 72 HB2 HIS 72 15.281 -6.681 2.427 1218 2HB HIS 72 HB1 HIS 72 16.742 -7.498 2.974 1219 HD1 HIS 72 HD1 HIS 72 15.808 -4.307 2.023 1220 HD2 HIS 72 HD2 HIS 72 18.904 -6.805 0.804 1221 HE1 HIS 72 HE1 HIS 72 17.561 -2.790 1.046 1222 HE2 HIS 72 HE2 HIS 72 19.342 -4.338 0.159 1223 H HIS 73 HN HIS 73 17.041 -10.257 2.153 1224 HA HIS 73 HA HIS 73 14.445 -11.597 2.504 1225 1HB HIS 73 HB2 HIS 73 17.219 -12.809 2.549 1226 2HB HIS 73 HB1 HIS 73 15.697 -13.690 2.594 1227 HD1 HIS 73 HD1 HIS 73 14.596 -14.220 0.379 1228 HD2 HIS 73 HD2 HIS 73 17.796 -11.586 0.019 1229 HE1 HIS 73 HE1 HIS 73 15.006 -13.975 -2.094 1230 HE2 HIS 73 HE2 HIS 73 16.807 -12.212 -2.284 1231 H HIS 74 HN HIS 74 13.609 -11.479 4.469 1232 HA HIS 74 HA HIS 74 15.487 -11.553 6.731 1233 1HB HIS 74 HB2 HIS 74 13.935 -10.254 8.077 1234 2HB HIS 74 HB1 HIS 74 14.359 -9.370 6.622 1235 HD1 HIS 74 HD1 HIS 74 11.525 -10.511 8.592 1236 HD2 HIS 74 HD2 HIS 74 12.176 -9.354 4.646 1237 HE1 HIS 74 HE1 HIS 74 9.250 -9.964 7.660 1238 HE2 HIS 74 HE2 HIS 74 9.672 -9.173 5.308 1239 H HIS 75 HN HIS 75 15.542 -13.636 7.176 1240 HA HIS 75 HA HIS 75 13.232 -14.930 8.298 1241 1HB HIS 75 HB2 HIS 75 12.717 -15.344 5.970 1242 2HB HIS 75 HB1 HIS 75 14.362 -15.877 5.652 1243 HD1 HIS 75 HD1 HIS 75 11.201 -17.005 7.417 1244 HD2 HIS 75 HD2 HIS 75 14.833 -18.543 6.081 1245 HE1 HIS 75 HE1 HIS 75 11.023 -19.504 7.674 1246 HE2 HIS 75 HE2 HIS 75 13.255 -20.408 6.915 1247 H HIS 76 HN HIS 76 14.196 -15.624 10.087 1248 HA HIS 76 HA HIS 76 16.810 -16.960 9.826 1249 1HB HIS 76 HB2 HIS 76 15.601 -15.672 12.286 1250 2HB HIS 76 HB1 HIS 76 17.193 -16.414 12.183 1251 HD1 HIS 76 HD1 HIS 76 19.000 -15.127 10.742 1252 HD2 HIS 76 HD2 HIS 76 15.451 -13.065 11.421 1253 HE1 HIS 76 HE1 HIS 76 19.494 -12.718 10.191 1254 HE2 HIS 76 HE2 HIS 76 17.362 -11.472 10.711 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -16.860 -24.720 -8.502 2 2H MET 1 HT2 MET 1 -16.838 -25.819 -9.792 3 3H MET 1 HT3 MET 1 -15.444 -24.941 -9.406 4 HA MET 1 HA MET 1 -16.754 -26.902 -7.624 5 1HB MET 1 HB2 MET 1 -15.725 -27.865 -9.729 6 2HB MET 1 HB1 MET 1 -14.173 -27.279 -9.154 7 1HG MET 1 HG2 MET 1 -15.893 -29.159 -7.565 8 2HG MET 1 HG1 MET 1 -14.699 -29.709 -8.737 9 1HE MET 1 HE1 MET 1 -13.011 -30.539 -5.299 10 2HE MET 1 HE2 MET 1 -13.552 -31.182 -6.849 11 3HE MET 1 HE3 MET 1 -14.733 -30.620 -5.667 12 HA PRO 2 HA PRO 2 -12.824 -25.344 -5.422 13 1HB PRO 2 HB2 PRO 2 -11.122 -23.628 -6.591 14 2HB PRO 2 HB1 PRO 2 -11.027 -25.368 -6.883 15 1HG PRO 2 HG2 PRO 2 -12.232 -23.225 -8.584 16 2HG PRO 2 HG1 PRO 2 -11.235 -24.608 -9.069 17 1HD PRO 2 HD2 PRO 2 -13.967 -24.550 -9.270 18 2HD PRO 2 HD1 PRO 2 -13.020 -26.040 -9.094 19 H ILE 3 HN ILE 3 -11.952 -23.137 -4.532 20 HA ILE 3 HA ILE 3 -14.283 -21.457 -4.225 21 HB ILE 3 HB ILE 3 -13.095 -22.080 -2.218 22 1HG1 ILE 3 HG12 ILE 3 -12.655 -19.144 -2.817 23 2HG1 ILE 3 HG11 ILE 3 -14.171 -19.858 -2.274 24 1HG2 ILE 3 HG21 ILE 3 -10.689 -20.703 -3.403 25 2HG2 ILE 3 HG22 ILE 3 -10.881 -22.435 -3.132 26 3HG2 ILE 3 HG23 ILE 3 -10.804 -21.330 -1.760 27 1HD1 ILE 3 HD11 ILE 3 -13.098 -20.518 -0.177 28 2HD1 ILE 3 HD12 ILE 3 -13.014 -18.777 -0.443 29 3HD1 ILE 3 HD13 ILE 3 -11.592 -19.781 -0.724 30 H VAL 4 HN VAL 4 -14.594 -19.520 -5.099 31 HA VAL 4 HA VAL 4 -12.720 -18.581 -7.097 32 HB VAL 4 HB VAL 4 -15.374 -17.408 -6.231 33 1HG1 VAL 4 HG11 VAL 4 -13.970 -15.762 -7.345 34 2HG1 VAL 4 HG12 VAL 4 -15.325 -16.227 -8.375 35 3HG1 VAL 4 HG13 VAL 4 -13.715 -16.873 -8.691 36 1HG2 VAL 4 HG21 VAL 4 -15.638 -19.665 -7.096 37 2HG2 VAL 4 HG22 VAL 4 -14.707 -19.240 -8.534 38 3HG2 VAL 4 HG23 VAL 4 -16.277 -18.487 -8.244 39 H SER 5 HN SER 5 -13.763 -17.729 -3.897 40 HA SER 5 HA SER 5 -12.970 -16.292 -2.335 41 1HB SER 5 HB2 SER 5 -10.604 -15.954 -4.193 42 2HB SER 5 HB1 SER 5 -10.654 -15.557 -2.476 43 HG SER 5 HG SER 5 -11.303 -18.160 -3.273 44 H LYS 6 HN LYS 6 -14.889 -15.191 -3.680 45 HA LYS 6 HA LYS 6 -14.061 -12.647 -4.818 46 1HB LYS 6 HB2 LYS 6 -15.948 -13.804 -5.847 47 2HB LYS 6 HB1 LYS 6 -16.797 -13.846 -4.308 48 1HG LYS 6 HG2 LYS 6 -17.766 -12.129 -5.642 49 2HG LYS 6 HG1 LYS 6 -16.852 -11.355 -4.346 50 1HD LYS 6 HD2 LYS 6 -14.968 -11.044 -5.928 51 2HD LYS 6 HD1 LYS 6 -15.980 -11.706 -7.213 52 1HE LYS 6 HE2 LYS 6 -17.643 -9.886 -6.676 53 2HE LYS 6 HE1 LYS 6 -16.405 -9.175 -5.642 54 1HZ LYS 6 HZ1 LYS 6 -16.243 -9.618 -8.572 55 2HZ LYS 6 HZ2 LYS 6 -14.939 -9.101 -7.620 56 3HZ LYS 6 HZ3 LYS 6 -16.315 -8.128 -7.766 57 H TYR 7 HN TYR 7 -15.334 -14.002 -1.898 58 HA TYR 7 HA TYR 7 -15.669 -13.203 0.195 59 1HB TYR 7 HB2 TYR 7 -14.225 -10.700 -0.708 60 2HB TYR 7 HB1 TYR 7 -14.512 -11.203 0.951 61 HD1 TYR 7 HD1 TYR 7 -13.536 -13.650 1.491 62 HD2 TYR 7 HD2 TYR 7 -12.145 -11.059 -1.580 63 HE1 TYR 7 HE1 TYR 7 -11.365 -14.808 1.502 64 HE2 TYR 7 HE2 TYR 7 -9.974 -12.205 -1.578 65 HH TYR 7 HH TYR 7 -9.472 -15.176 0.050 66 H SER 8 HN SER 8 -16.368 -10.813 1.233 67 HA SER 8 HA SER 8 -18.678 -9.994 -0.380 68 1HB SER 8 HB2 SER 8 -18.371 -9.918 2.636 69 2HB SER 8 HB1 SER 8 -19.819 -9.481 1.724 70 HG SER 8 HG SER 8 -20.110 -11.578 2.379 71 H ASN 9 HN ASN 9 -19.034 -7.841 -0.712 72 HA ASN 9 HA ASN 9 -16.838 -6.167 -0.933 73 1HB ASN 9 HB2 ASN 9 -19.793 -5.584 -0.903 74 2HB ASN 9 HB1 ASN 9 -18.600 -4.321 -1.175 75 1HD2 ASN 9 HD21 ASN 9 -19.421 -3.934 -3.232 76 2HD2 ASN 9 HD22 ASN 9 -19.114 -5.010 -4.553 77 H GLU 10 HN GLU 10 -19.211 -6.400 1.643 78 HA GLU 10 HA GLU 10 -18.585 -4.061 3.037 79 1HB GLU 10 HB2 GLU 10 -19.631 -5.159 4.970 80 2HB GLU 10 HB1 GLU 10 -20.581 -5.366 3.505 81 1HG GLU 10 HG2 GLU 10 -19.543 -7.619 3.243 82 2HG GLU 10 HG1 GLU 10 -18.803 -7.397 4.826 83 H ARG 11 HN ARG 11 -16.977 -7.169 2.963 84 HA ARG 11 HA ARG 11 -15.461 -6.795 5.342 85 1HB ARG 11 HB2 ARG 11 -15.898 -8.991 4.030 86 2HB ARG 11 HB1 ARG 11 -14.537 -8.488 3.034 87 1HG ARG 11 HG2 ARG 11 -13.203 -8.288 5.162 88 2HG ARG 11 HG1 ARG 11 -14.546 -9.093 5.974 89 1HD ARG 11 HD2 ARG 11 -14.232 -10.871 4.083 90 2HD ARG 11 HD1 ARG 11 -12.621 -10.165 3.960 91 HE ARG 11 HE ARG 11 -13.383 -12.043 5.830 92 1HH1 ARG 11 HH11 ARG 11 -11.807 -8.896 5.884 93 2HH1 ARG 11 HH12 ARG 11 -11.091 -9.153 7.445 94 1HH2 ARG 11 HH21 ARG 11 -12.382 -12.377 7.856 95 2HH2 ARG 11 HH22 ARG 11 -11.395 -11.119 8.540 96 H VAL 12 HN VAL 12 -14.782 -6.355 1.902 97 HA VAL 12 HA VAL 12 -12.118 -5.494 2.176 98 HB VAL 12 HB VAL 12 -14.085 -4.816 -0.017 99 1HG1 VAL 12 HG11 VAL 12 -12.134 -3.355 -0.043 100 2HG1 VAL 12 HG12 VAL 12 -12.113 -4.464 -1.415 101 3HG1 VAL 12 HG13 VAL 12 -11.071 -4.763 -0.022 102 1HG2 VAL 12 HG21 VAL 12 -13.117 -6.716 -1.212 103 2HG2 VAL 12 HG22 VAL 12 -13.866 -7.224 0.301 104 3HG2 VAL 12 HG23 VAL 12 -12.111 -7.089 0.188 105 H GLU 13 HN GLU 13 -15.187 -3.742 2.099 106 HA GLU 13 HA GLU 13 -14.279 -1.116 2.145 107 1HB GLU 13 HB2 GLU 13 -16.654 -1.805 1.948 108 2HB GLU 13 HB1 GLU 13 -16.641 -2.278 3.639 109 1HG GLU 13 HG2 GLU 13 -17.691 -0.175 3.538 110 2HG GLU 13 HG1 GLU 13 -16.080 0.109 4.191 111 H LYS 14 HN LYS 14 -14.899 -3.318 4.865 112 HA LYS 14 HA LYS 14 -14.121 -1.555 6.909 113 1HB LYS 14 HB2 LYS 14 -15.407 -3.472 7.513 114 2HB LYS 14 HB1 LYS 14 -14.230 -4.568 6.795 115 1HG LYS 14 HG2 LYS 14 -12.600 -3.944 8.495 116 2HG LYS 14 HG1 LYS 14 -13.766 -2.834 9.213 117 1HD LYS 14 HD2 LYS 14 -15.195 -4.637 9.849 118 2HD LYS 14 HD1 LYS 14 -14.237 -5.794 8.920 119 1HE LYS 14 HE2 LYS 14 -13.807 -5.860 11.375 120 2HE LYS 14 HE1 LYS 14 -12.374 -5.541 10.398 121 1HZ LYS 14 HZ1 LYS 14 -12.573 -3.197 10.912 122 2HZ LYS 14 HZ2 LYS 14 -12.486 -4.101 12.343 123 3HZ LYS 14 HZ3 LYS 14 -13.977 -3.485 11.825 124 H ILE 15 HN ILE 15 -12.270 -4.026 5.138 125 HA ILE 15 HA ILE 15 -9.933 -3.919 6.653 126 HB ILE 15 HB ILE 15 -10.174 -4.433 3.681 127 1HG1 ILE 15 HG12 ILE 15 -10.119 -6.365 6.015 128 2HG1 ILE 15 HG11 ILE 15 -11.559 -5.924 5.102 129 1HG2 ILE 15 HG21 ILE 15 -7.970 -5.166 5.607 130 2HG2 ILE 15 HG22 ILE 15 -7.879 -3.924 4.357 131 3HG2 ILE 15 HG23 ILE 15 -8.054 -5.620 3.906 132 1HD1 ILE 15 HD11 ILE 15 -9.139 -7.329 3.996 133 2HD1 ILE 15 HD12 ILE 15 -10.596 -6.907 3.094 134 3HD1 ILE 15 HD13 ILE 15 -10.679 -8.083 4.409 135 H ILE 16 HN ILE 16 -10.793 -2.045 3.739 136 HA ILE 16 HA ILE 16 -8.467 -0.460 3.663 137 HB ILE 16 HB ILE 16 -11.252 0.310 2.759 138 1HG1 ILE 16 HG12 ILE 16 -9.009 -0.946 1.163 139 2HG1 ILE 16 HG11 ILE 16 -10.394 -1.830 1.792 140 1HG2 ILE 16 HG21 ILE 16 -9.761 2.223 2.921 141 2HG2 ILE 16 HG22 ILE 16 -10.090 1.838 1.231 142 3HG2 ILE 16 HG23 ILE 16 -8.548 1.380 1.956 143 1HD1 ILE 16 HD11 ILE 16 -10.718 -1.319 -0.537 144 2HD1 ILE 16 HD12 ILE 16 -10.466 0.398 -0.225 145 3HD1 ILE 16 HD13 ILE 16 -11.881 -0.421 0.441 146 H GLN 17 HN GLN 17 -11.538 -0.085 5.337 147 HA GLN 17 HA GLN 17 -11.166 2.532 6.290 148 1HB GLN 17 HB2 GLN 17 -13.358 1.551 6.297 149 2HB GLN 17 HB1 GLN 17 -12.829 0.243 7.341 150 1HG GLN 17 HG2 GLN 17 -14.128 1.814 8.605 151 2HG GLN 17 HG1 GLN 17 -12.456 1.853 9.153 152 1HE2 GLN 17 HE21 GLN 17 -11.202 3.677 8.737 153 2HE2 GLN 17 HE22 GLN 17 -11.912 5.190 8.283 154 H ASP 18 HN ASP 18 -10.509 -0.620 7.851 155 HA ASP 18 HA ASP 18 -9.591 0.382 10.293 156 1HB ASP 18 HB2 ASP 18 -9.146 -2.160 8.796 157 2HB ASP 18 HB1 ASP 18 -8.102 -1.815 10.170 158 H LEU 19 HN LEU 19 -7.794 -0.291 7.315 159 HA LEU 19 HA LEU 19 -5.237 0.363 8.265 160 1HB LEU 19 HB2 LEU 19 -6.331 0.723 5.473 161 2HB LEU 19 HB1 LEU 19 -4.635 0.685 5.911 162 HG LEU 19 HG LEU 19 -6.552 -1.630 6.208 163 1HD1 LEU 19 HD11 LEU 19 -5.294 -2.622 4.354 164 2HD1 LEU 19 HD12 LEU 19 -4.376 -1.126 4.184 165 3HD1 LEU 19 HD13 LEU 19 -6.112 -1.135 3.870 166 1HD2 LEU 19 HD21 LEU 19 -3.565 -1.466 6.594 167 2HD2 LEU 19 HD22 LEU 19 -4.532 -2.940 6.659 168 3HD2 LEU 19 HD23 LEU 19 -4.768 -1.675 7.866 169 H LEU 20 HN LEU 20 -7.600 2.369 6.519 170 HA LEU 20 HA LEU 20 -6.038 4.719 6.569 171 1HB LEU 20 HB2 LEU 20 -9.007 4.328 6.232 172 2HB LEU 20 HB1 LEU 20 -8.204 5.874 6.048 173 HG LEU 20 HG LEU 20 -7.707 3.424 4.350 174 1HD1 LEU 20 HD11 LEU 20 -8.768 4.716 2.576 175 2HD1 LEU 20 HD12 LEU 20 -9.090 6.027 3.712 176 3HD1 LEU 20 HD13 LEU 20 -9.876 4.463 3.925 177 1HD2 LEU 20 HD21 LEU 20 -5.697 4.782 4.620 178 2HD2 LEU 20 HD22 LEU 20 -6.598 6.220 4.135 179 3HD2 LEU 20 HD23 LEU 20 -6.338 4.912 2.982 180 H ASP 21 HN ASP 21 -8.347 3.363 8.830 181 HA ASP 21 HA ASP 21 -8.837 5.681 10.354 182 1HB ASP 21 HB2 ASP 21 -10.027 3.373 10.412 183 2HB ASP 21 HB1 ASP 21 -8.778 2.933 11.571 184 H VAL 22 HN VAL 22 -6.437 3.082 10.718 185 HA VAL 22 HA VAL 22 -5.143 4.080 13.002 186 HB VAL 22 HB VAL 22 -3.939 2.504 10.709 187 1HG1 VAL 22 HG11 VAL 22 -2.911 2.944 13.511 188 2HG1 VAL 22 HG12 VAL 22 -2.198 3.568 12.024 189 3HG1 VAL 22 HG13 VAL 22 -2.217 1.829 12.332 190 1HG2 VAL 22 HG21 VAL 22 -5.145 1.603 13.323 191 2HG2 VAL 22 HG22 VAL 22 -4.244 0.560 12.220 192 3HG2 VAL 22 HG23 VAL 22 -5.766 1.289 11.699 193 H LEU 23 HN LEU 23 -4.611 4.707 9.554 194 HA LEU 23 HA LEU 23 -2.348 6.351 9.812 195 1HB LEU 23 HB2 LEU 23 -4.511 6.389 7.707 196 2HB LEU 23 HB1 LEU 23 -2.972 7.216 7.576 197 HG LEU 23 HG LEU 23 -3.336 4.224 7.765 198 1HD1 LEU 23 HD11 LEU 23 -2.610 5.996 5.439 199 2HD1 LEU 23 HD12 LEU 23 -4.110 5.090 5.641 200 3HD1 LEU 23 HD13 LEU 23 -2.584 4.233 5.427 201 1HD2 LEU 23 HD21 LEU 23 -1.243 4.925 8.769 202 2HD2 LEU 23 HD22 LEU 23 -0.865 5.901 7.351 203 3HD2 LEU 23 HD23 LEU 23 -0.938 4.145 7.217 204 H VAL 24 HN VAL 24 -5.803 7.182 9.669 205 HA VAL 24 HA VAL 24 -5.422 9.986 9.877 206 HB VAL 24 HB VAL 24 -7.851 8.303 10.535 207 1HG1 VAL 24 HG11 VAL 24 -9.135 10.380 10.326 208 2HG1 VAL 24 HG12 VAL 24 -7.633 11.284 10.120 209 3HG1 VAL 24 HG13 VAL 24 -7.970 10.470 11.649 210 1HG2 VAL 24 HG21 VAL 24 -7.157 8.113 8.208 211 2HG2 VAL 24 HG22 VAL 24 -7.139 9.869 8.058 212 3HG2 VAL 24 HG23 VAL 24 -8.661 9.025 8.337 213 H LYS 25 HN LYS 25 -5.968 7.432 12.259 214 HA LYS 25 HA LYS 25 -6.349 9.003 14.534 215 1HB LYS 25 HB2 LYS 25 -6.630 6.525 14.382 216 2HB LYS 25 HB1 LYS 25 -4.879 6.365 14.374 217 1HG LYS 25 HG2 LYS 25 -4.825 7.468 16.594 218 2HG LYS 25 HG1 LYS 25 -6.591 7.443 16.600 219 1HD LYS 25 HD2 LYS 25 -6.469 4.959 16.297 220 2HD LYS 25 HD1 LYS 25 -4.723 5.077 16.530 221 1HE LYS 25 HE2 LYS 25 -5.704 4.478 18.621 222 2HE LYS 25 HE1 LYS 25 -5.165 6.152 18.735 223 1HZ LYS 25 HZ1 LYS 25 -7.320 5.975 19.698 224 2HZ LYS 25 HZ2 LYS 25 -7.948 5.195 18.332 225 3HZ LYS 25 HZ3 LYS 25 -7.486 6.824 18.241 226 H GLU 26 HN GLU 26 -3.365 7.837 13.035 227 HA GLU 26 HA GLU 26 -1.677 9.069 15.013 228 1HB GLU 26 HB2 GLU 26 -1.086 7.746 12.363 229 2HB GLU 26 HB1 GLU 26 0.157 8.370 13.438 230 1HG GLU 26 HG2 GLU 26 -1.843 6.265 14.216 231 2HG GLU 26 HG1 GLU 26 -0.222 5.923 13.609 232 H GLU 27 HN GLU 27 -3.416 10.275 12.467 233 HA GLU 27 HA GLU 27 -3.397 12.161 11.207 234 1HB GLU 27 HB2 GLU 27 -1.726 13.074 13.545 235 2HB GLU 27 HB1 GLU 27 -2.238 14.154 12.258 236 1HG GLU 27 HG2 GLU 27 -4.580 13.628 12.772 237 2HG GLU 27 HG1 GLU 27 -4.038 12.606 14.103 238 H VAL 28 HN VAL 28 -1.677 10.252 10.314 239 HA VAL 28 HA VAL 28 0.971 11.144 9.902 240 HB VAL 28 HB VAL 28 1.157 9.408 8.216 241 1HG1 VAL 28 HG11 VAL 28 -0.472 8.537 10.598 242 2HG1 VAL 28 HG12 VAL 28 1.283 8.688 10.514 243 3HG1 VAL 28 HG13 VAL 28 0.456 7.457 9.557 244 1HG2 VAL 28 HG21 VAL 28 -0.941 9.704 7.045 245 2HG2 VAL 28 HG22 VAL 28 -1.839 9.147 8.457 246 3HG2 VAL 28 HG23 VAL 28 -0.790 8.031 7.584 247 H THR 29 HN THR 29 1.933 12.150 8.174 248 HA THR 29 HA THR 29 0.272 13.816 6.500 249 HB THR 29 HB THR 29 2.453 14.592 5.567 250 HG1 THR 29 HG1 THR 29 4.333 13.736 6.901 251 1HG2 THR 29 HG21 THR 29 2.353 14.519 8.589 252 2HG2 THR 29 HG22 THR 29 1.548 15.697 7.554 253 3HG2 THR 29 HG23 THR 29 3.309 15.641 7.618 254 HA PRO 30 HA PRO 30 0.153 11.247 2.814 255 1HB PRO 30 HB2 PRO 30 1.533 13.474 1.391 256 2HB PRO 30 HB1 PRO 30 0.048 12.618 0.963 257 1HG PRO 30 HG2 PRO 30 -0.053 15.081 1.972 258 2HG PRO 30 HG1 PRO 30 -1.250 13.858 2.436 259 1HD PRO 30 HD2 PRO 30 1.089 14.901 3.969 260 2HD PRO 30 HD1 PRO 30 -0.514 14.401 4.551 261 H ASP 31 HN ASP 31 3.071 13.101 3.447 262 HA ASP 31 HA ASP 31 4.935 11.511 2.075 263 1HB ASP 31 HB2 ASP 31 5.516 13.731 2.834 264 2HB ASP 31 HB1 ASP 31 5.203 13.293 4.508 265 H LEU 32 HN LEU 32 4.073 11.554 5.530 266 HA LEU 32 HA LEU 32 5.656 9.354 6.274 267 1HB LEU 32 HB2 LEU 32 4.787 10.994 7.865 268 2HB LEU 32 HB1 LEU 32 3.150 10.454 7.552 269 HG LEU 32 HG LEU 32 3.665 8.270 8.539 270 1HD1 LEU 32 HD11 LEU 32 5.784 7.914 9.701 271 2HD1 LEU 32 HD12 LEU 32 6.375 9.462 9.097 272 3HD1 LEU 32 HD13 LEU 32 6.027 8.149 7.970 273 1HD2 LEU 32 HD21 LEU 32 2.803 10.068 9.962 274 2HD2 LEU 32 HD22 LEU 32 4.454 10.572 10.318 275 3HD2 LEU 32 HD23 LEU 32 3.880 8.992 10.851 276 H ALA 33 HN ALA 33 2.285 9.580 5.233 277 HA ALA 33 HA ALA 33 1.508 6.952 5.813 278 1HB ALA 33 HB1 ALA 33 -0.325 7.321 4.240 279 2HB ALA 33 HB2 ALA 33 0.486 8.767 3.636 280 3HB ALA 33 HB3 ALA 33 -0.094 8.712 5.300 281 H LEU 34 HN LEU 34 2.902 8.330 2.835 282 HA LEU 34 HA LEU 34 2.731 5.952 1.328 283 1HB LEU 34 HB2 LEU 34 4.605 8.301 1.056 284 2HB LEU 34 HB1 LEU 34 4.472 7.009 -0.120 285 HG LEU 34 HG LEU 34 2.291 8.952 0.636 286 1HD1 LEU 34 HD11 LEU 34 2.560 9.757 -1.661 287 2HD1 LEU 34 HD12 LEU 34 3.912 8.646 -1.886 288 3HD1 LEU 34 HD13 LEU 34 4.035 9.960 -0.717 289 1HD2 LEU 34 HD21 LEU 34 1.010 7.915 -1.173 290 2HD2 LEU 34 HD22 LEU 34 1.367 6.761 0.113 291 3HD2 LEU 34 HD23 LEU 34 2.288 6.718 -1.391 292 H MET 35 HN MET 35 5.206 7.224 3.479 293 HA MET 35 HA MET 35 7.191 5.271 2.889 294 1HB MET 35 HB2 MET 35 7.661 7.452 3.977 295 2HB MET 35 HB1 MET 35 6.820 6.892 5.417 296 1HG MET 35 HG2 MET 35 8.465 5.218 5.817 297 2HG MET 35 HG1 MET 35 9.232 5.522 4.260 298 1HE MET 35 HE1 MET 35 8.525 6.981 7.864 299 2HE MET 35 HE2 MET 35 7.828 8.181 6.778 300 3HE MET 35 HE3 MET 35 9.261 8.577 7.726 301 H CYS 36 HN CYS 36 4.443 5.338 5.049 302 HA CYS 36 HA CYS 36 5.221 2.915 6.414 303 1HB CYS 36 HB2 CYS 36 2.562 4.354 6.389 304 2HB CYS 36 HB1 CYS 36 3.031 3.074 7.502 305 HG CYS 36 HG CYS 36 4.343 6.230 7.348 306 H LEU 37 HN LEU 37 2.750 3.841 4.033 307 HA LEU 37 HA LEU 37 1.608 1.273 3.790 308 1HB LEU 37 HB2 LEU 37 1.578 3.631 1.911 309 2HB LEU 37 HB1 LEU 37 0.614 2.186 1.682 310 HG LEU 37 HG LEU 37 0.407 4.033 4.060 311 1HD1 LEU 37 HD11 LEU 37 -0.354 5.104 1.999 312 2HD1 LEU 37 HD12 LEU 37 -1.703 4.753 3.080 313 3HD1 LEU 37 HD13 LEU 37 -1.412 3.730 1.673 314 1HD2 LEU 37 HD21 LEU 37 -1.286 1.690 3.196 315 2HD2 LEU 37 HD22 LEU 37 -1.630 2.765 4.552 316 3HD2 LEU 37 HD23 LEU 37 -0.199 1.736 4.585 317 H GLY 38 HN GLY 38 3.968 2.973 1.713 318 1HA GLY 38 HA2 GLY 38 4.194 0.927 -0.210 319 2HA GLY 38 HA1 GLY 38 5.395 2.171 0.101 320 H ASN 39 HN ASN 39 5.771 1.416 2.865 321 HA ASN 39 HA ASN 39 7.777 -0.574 2.530 322 1HB ASN 39 HB2 ASN 39 7.671 1.368 4.214 323 2HB ASN 39 HB1 ASN 39 6.611 0.331 5.156 324 1HD2 ASN 39 HD21 ASN 39 9.283 1.461 5.667 325 2HD2 ASN 39 HD22 ASN 39 10.278 0.107 6.095 326 H ALA 40 HN ALA 40 4.560 -0.498 4.000 327 HA ALA 40 HA ALA 40 4.463 -3.152 4.903 328 1HB ALA 40 HB1 ALA 40 2.847 -1.445 5.591 329 2HB ALA 40 HB2 ALA 40 2.040 -2.871 4.941 330 3HB ALA 40 HB3 ALA 40 2.183 -1.416 3.957 331 H VAL 41 HN VAL 41 3.512 -1.694 1.809 332 HA VAL 41 HA VAL 41 2.481 -3.966 0.557 333 HB VAL 41 HB VAL 41 4.041 -1.713 -0.737 334 1HG1 VAL 41 HG11 VAL 41 3.855 -3.659 -2.199 335 2HG1 VAL 41 HG12 VAL 41 2.854 -2.331 -2.788 336 3HG1 VAL 41 HG13 VAL 41 2.109 -3.691 -1.945 337 1HG2 VAL 41 HG21 VAL 41 1.067 -2.030 -0.359 338 2HG2 VAL 41 HG22 VAL 41 1.883 -0.707 -1.198 339 3HG2 VAL 41 HG23 VAL 41 2.107 -0.922 0.539 340 H THR 42 HN THR 42 5.801 -2.716 0.629 341 HA THR 42 HA THR 42 6.975 -4.689 -0.988 342 HB THR 42 HB THR 42 8.270 -3.145 1.273 343 HG1 THR 42 HG1 THR 42 7.396 -1.663 -0.152 344 1HG2 THR 42 HG21 THR 42 9.476 -4.374 -1.213 345 2HG2 THR 42 HG22 THR 42 9.637 -5.014 0.422 346 3HG2 THR 42 HG23 THR 42 10.341 -3.448 0.015 347 H ASN 43 HN ASN 43 6.246 -4.587 2.438 348 HA ASN 43 HA ASN 43 7.758 -6.911 3.130 349 1HB ASN 43 HB2 ASN 43 7.095 -5.025 4.691 350 2HB ASN 43 HB1 ASN 43 5.467 -5.692 4.677 351 1HD2 ASN 43 HD21 ASN 43 5.033 -7.541 5.827 352 2HD2 ASN 43 HD22 ASN 43 6.157 -8.237 6.941 353 H ILE 44 HN ILE 44 4.557 -6.319 1.917 354 HA ILE 44 HA ILE 44 3.565 -8.948 2.610 355 HB ILE 44 HB ILE 44 2.369 -6.749 0.913 356 1HG1 ILE 44 HG12 ILE 44 2.480 -6.220 3.296 357 2HG1 ILE 44 HG11 ILE 44 0.812 -6.507 2.813 358 1HG2 ILE 44 HG21 ILE 44 1.154 -9.383 1.745 359 2HG2 ILE 44 HG22 ILE 44 1.548 -8.879 0.103 360 3HG2 ILE 44 HG23 ILE 44 0.271 -8.049 0.997 361 1HD1 ILE 44 HD11 ILE 44 2.596 -8.458 4.254 362 2HD1 ILE 44 HD12 ILE 44 0.932 -8.760 3.758 363 3HD1 ILE 44 HD13 ILE 44 1.281 -7.521 4.963 364 H ILE 45 HN ILE 45 4.593 -7.257 -0.342 365 HA ILE 45 HA ILE 45 3.998 -9.333 -2.146 366 HB ILE 45 HB ILE 45 6.105 -7.178 -2.390 367 1HG1 ILE 45 HG12 ILE 45 3.248 -7.304 -3.394 368 2HG1 ILE 45 HG11 ILE 45 3.827 -6.304 -2.067 369 1HG2 ILE 45 HG21 ILE 45 6.542 -8.988 -3.947 370 2HG2 ILE 45 HG22 ILE 45 5.943 -7.573 -4.812 371 3HG2 ILE 45 HG23 ILE 45 4.870 -8.940 -4.507 372 1HD1 ILE 45 HD11 ILE 45 5.246 -5.070 -3.626 373 2HD1 ILE 45 HD12 ILE 45 3.544 -4.997 -4.083 374 3HD1 ILE 45 HD13 ILE 45 4.646 -6.066 -4.952 375 H ALA 46 HN ALA 46 6.676 -8.853 0.006 376 HA ALA 46 HA ALA 46 8.514 -10.633 -1.209 377 1HB ALA 46 HB1 ALA 46 9.199 -8.975 0.450 378 2HB ALA 46 HB2 ALA 46 9.672 -10.601 0.944 379 3HB ALA 46 HB3 ALA 46 8.272 -9.825 1.687 380 H GLN 47 HN GLN 47 5.672 -11.108 0.675 381 HA GLN 47 HA GLN 47 6.385 -13.847 1.386 382 1HB GLN 47 HB2 GLN 47 3.847 -12.318 1.982 383 2HB GLN 47 HB1 GLN 47 4.343 -13.847 2.700 384 1HG GLN 47 HG2 GLN 47 6.220 -12.761 3.774 385 2HG GLN 47 HG1 GLN 47 5.803 -11.233 3.004 386 1HE2 GLN 47 HE21 GLN 47 5.503 -10.130 4.877 387 2HE2 GLN 47 HE22 GLN 47 4.193 -10.439 5.965 388 H VAL 48 HN VAL 48 5.002 -12.205 -1.147 389 HA VAL 48 HA VAL 48 3.049 -14.166 -1.948 390 HB VAL 48 HB VAL 48 4.289 -11.918 -3.543 391 1HG1 VAL 48 HG11 VAL 48 1.773 -13.492 -4.043 392 2HG1 VAL 48 HG12 VAL 48 3.266 -13.584 -4.976 393 3HG1 VAL 48 HG13 VAL 48 2.317 -12.098 -4.979 394 1HG2 VAL 48 HG21 VAL 48 2.270 -10.647 -3.009 395 2HG2 VAL 48 HG22 VAL 48 3.180 -11.066 -1.556 396 3HG2 VAL 48 HG23 VAL 48 1.720 -11.964 -1.974 397 HA PRO 49 HA PRO 49 5.905 -17.037 -3.756 398 1HB PRO 49 HB2 PRO 49 4.193 -18.061 -5.677 399 2HB PRO 49 HB1 PRO 49 4.272 -18.600 -3.997 400 1HG PRO 49 HG2 PRO 49 2.351 -16.723 -5.299 401 2HG PRO 49 HG1 PRO 49 2.057 -17.940 -4.044 402 1HD PRO 49 HD2 PRO 49 2.226 -15.311 -3.475 403 2HD PRO 49 HD1 PRO 49 2.809 -16.551 -2.351 404 H GLU 50 HN GLU 50 7.320 -17.059 -5.405 405 HA GLU 50 HA GLU 50 7.783 -14.798 -6.904 406 1HB GLU 50 HB2 GLU 50 8.651 -17.621 -7.534 407 2HB GLU 50 HB1 GLU 50 9.348 -16.167 -8.230 408 1HG GLU 50 HG2 GLU 50 10.064 -15.450 -6.008 409 2HG GLU 50 HG1 GLU 50 9.384 -16.927 -5.322 410 H SER 51 HN SER 51 5.849 -17.576 -7.746 411 HA SER 51 HA SER 51 5.711 -17.377 -10.490 412 1HB SER 51 HB2 SER 51 3.442 -18.141 -8.644 413 2HB SER 51 HB1 SER 51 3.640 -18.624 -10.330 414 HG SER 51 HG SER 51 4.481 -20.308 -9.269 415 H LYS 52 HN LYS 52 4.040 -15.399 -8.085 416 HA LYS 52 HA LYS 52 3.107 -13.741 -10.329 417 1HB LYS 52 HB2 LYS 52 1.068 -13.163 -9.087 418 2HB LYS 52 HB1 LYS 52 1.148 -14.879 -9.450 419 1HG LYS 52 HG2 LYS 52 1.554 -15.450 -7.223 420 2HG LYS 52 HG1 LYS 52 2.036 -13.808 -6.795 421 1HD LYS 52 HD2 LYS 52 -0.170 -14.282 -5.908 422 2HD LYS 52 HD1 LYS 52 -0.274 -13.048 -7.161 423 1HE LYS 52 HE2 LYS 52 -0.911 -14.854 -8.773 424 2HE LYS 52 HE1 LYS 52 -0.983 -15.969 -7.409 425 1HZ LYS 52 HZ1 LYS 52 -2.689 -13.599 -7.910 426 2HZ LYS 52 HZ2 LYS 52 -2.624 -14.355 -6.401 427 3HZ LYS 52 HZ3 LYS 52 -3.173 -15.218 -7.757 428 H ARG 53 HN ARG 53 5.242 -13.835 -7.966 429 HA ARG 53 HA ARG 53 4.787 -11.576 -6.362 430 1HB ARG 53 HB2 ARG 53 6.455 -13.255 -5.780 431 2HB ARG 53 HB1 ARG 53 7.402 -12.847 -7.203 432 1HG ARG 53 HG2 ARG 53 7.807 -10.617 -6.293 433 2HG ARG 53 HG1 ARG 53 6.860 -11.030 -4.862 434 1HD ARG 53 HD2 ARG 53 9.372 -12.435 -5.770 435 2HD ARG 53 HD1 ARG 53 9.278 -11.243 -4.473 436 HE ARG 53 HE ARG 53 7.460 -13.143 -3.758 437 1HH1 ARG 53 HH11 ARG 53 10.863 -13.235 -4.591 438 2HH1 ARG 53 HH12 ARG 53 11.210 -14.583 -3.548 439 1HH2 ARG 53 HH21 ARG 53 7.918 -14.902 -2.387 440 2HH2 ARG 53 HH22 ARG 53 9.536 -15.526 -2.298 441 H VAL 54 HN VAL 54 6.575 -11.916 -9.410 442 HA VAL 54 HA VAL 54 7.286 -9.157 -9.565 443 HB VAL 54 HB VAL 54 7.110 -11.160 -11.830 444 1HG1 VAL 54 HG11 VAL 54 7.277 -8.848 -12.589 445 2HG1 VAL 54 HG12 VAL 54 8.773 -9.721 -12.919 446 3HG1 VAL 54 HG13 VAL 54 8.688 -8.600 -11.560 447 1HG2 VAL 54 HG21 VAL 54 9.440 -10.506 -10.029 448 2HG2 VAL 54 HG22 VAL 54 9.494 -11.564 -11.439 449 3HG2 VAL 54 HG23 VAL 54 8.525 -12.013 -10.037 450 H ALA 55 HN ALA 55 4.592 -11.092 -10.610 451 HA ALA 55 HA ALA 55 3.492 -9.223 -12.437 452 1HB ALA 55 HB1 ALA 55 2.984 -11.610 -12.535 453 2HB ALA 55 HB2 ALA 55 1.516 -10.643 -12.389 454 3HB ALA 55 HB3 ALA 55 2.151 -11.497 -10.984 455 H VAL 56 HN VAL 56 2.817 -9.983 -9.019 456 HA VAL 56 HA VAL 56 0.579 -8.297 -8.804 457 HB VAL 56 HB VAL 56 0.907 -8.414 -6.347 458 1HG1 VAL 56 HG11 VAL 56 0.522 -10.815 -6.152 459 2HG1 VAL 56 HG12 VAL 56 1.119 -11.048 -7.794 460 3HG1 VAL 56 HG13 VAL 56 -0.362 -10.128 -7.516 461 1HG2 VAL 56 HG21 VAL 56 3.365 -10.000 -7.060 462 2HG2 VAL 56 HG22 VAL 56 2.659 -9.881 -5.447 463 3HG2 VAL 56 HG23 VAL 56 3.320 -8.447 -6.228 464 H VAL 57 HN VAL 57 4.029 -7.652 -8.195 465 HA VAL 57 HA VAL 57 3.530 -5.062 -7.116 466 HB VAL 57 HB VAL 57 5.593 -6.205 -6.542 467 1HG1 VAL 57 HG11 VAL 57 5.994 -7.411 -8.622 468 2HG1 VAL 57 HG12 VAL 57 7.415 -6.470 -8.163 469 3HG1 VAL 57 HG13 VAL 57 6.351 -5.893 -9.445 470 1HG2 VAL 57 HG21 VAL 57 5.576 -3.773 -6.453 471 2HG2 VAL 57 HG22 VAL 57 6.112 -3.696 -8.131 472 3HG2 VAL 57 HG23 VAL 57 7.176 -4.371 -6.897 473 H ASP 58 HN ASP 58 4.208 -6.267 -10.363 474 HA ASP 58 HA ASP 58 4.505 -3.677 -11.513 475 1HB ASP 58 HB2 ASP 58 4.530 -6.421 -12.451 476 2HB ASP 58 HB1 ASP 58 3.659 -5.367 -13.560 477 H ASN 59 HN ASN 59 1.780 -5.943 -11.283 478 HA ASN 59 HA ASN 59 -0.065 -4.313 -12.676 479 1HB ASN 59 HB2 ASN 59 -0.471 -6.493 -10.624 480 2HB ASN 59 HB1 ASN 59 -1.807 -5.680 -11.433 481 1HD2 ASN 59 HD21 ASN 59 -0.986 -8.478 -11.492 482 2HD2 ASN 59 HD22 ASN 59 -0.714 -8.868 -13.156 483 H PHE 60 HN PHE 60 0.830 -4.581 -9.287 484 HA PHE 60 HA PHE 60 -1.059 -2.898 -8.117 485 1HB PHE 60 HB2 PHE 60 0.644 -4.329 -6.933 486 2HB PHE 60 HB1 PHE 60 1.863 -3.134 -7.364 487 HD1 PHE 60 HD2 PHE 60 -1.349 -3.507 -5.534 488 HD2 PHE 60 HD1 PHE 60 2.296 -1.362 -5.963 489 HE1 PHE 60 HE2 PHE 60 -1.846 -2.258 -3.473 490 HE2 PHE 60 HE1 PHE 60 1.812 -0.111 -3.901 491 HZ PHE 60 HZ PHE 60 -0.260 -0.560 -2.652 492 H THR 61 HN THR 61 2.201 -2.121 -9.284 493 HA THR 61 HA THR 61 2.036 0.629 -8.708 494 HB THR 61 HB THR 61 4.041 0.780 -10.266 495 HG1 THR 61 HG1 THR 61 4.001 -2.051 -10.194 496 1HG2 THR 61 HG21 THR 61 4.096 -1.244 -8.023 497 2HG2 THR 61 HG22 THR 61 4.301 0.502 -7.861 498 3HG2 THR 61 HG23 THR 61 5.512 -0.453 -8.718 499 H LYS 62 HN LYS 62 1.397 -1.215 -11.646 500 HA LYS 62 HA LYS 62 0.997 0.940 -13.401 501 1HB LYS 62 HB2 LYS 62 1.279 -1.346 -14.171 502 2HB LYS 62 HB1 LYS 62 -0.201 -1.837 -13.363 503 1HG LYS 62 HG2 LYS 62 -1.502 -0.442 -14.879 504 2HG LYS 62 HG1 LYS 62 -0.016 0.086 -15.674 505 1HD LYS 62 HD2 LYS 62 0.452 -2.166 -16.395 506 2HD LYS 62 HD1 LYS 62 -0.931 -2.781 -15.490 507 1HE LYS 62 HE2 LYS 62 -1.057 -0.865 -17.814 508 2HE LYS 62 HE1 LYS 62 -1.407 -2.592 -17.888 509 1HZ LYS 62 HZ1 LYS 62 -3.188 -2.191 -16.230 510 2HZ LYS 62 HZ2 LYS 62 -3.452 -1.422 -17.717 511 3HZ LYS 62 HZ3 LYS 62 -2.915 -0.523 -16.383 512 H ALA 63 HN ALA 63 -1.420 -1.002 -11.635 513 HA ALA 63 HA ALA 63 -3.645 0.522 -12.437 514 1HB ALA 63 HB1 ALA 63 -4.868 -0.652 -10.700 515 2HB ALA 63 HB2 ALA 63 -3.354 -1.187 -9.970 516 3HB ALA 63 HB3 ALA 63 -3.814 -1.769 -11.570 517 H LEU 64 HN LEU 64 -1.478 0.776 -9.678 518 HA LEU 64 HA LEU 64 -2.966 2.558 -8.117 519 1HB LEU 64 HB2 LEU 64 -0.618 1.264 -7.816 520 2HB LEU 64 HB1 LEU 64 -0.020 2.874 -8.164 521 HG LEU 64 HG LEU 64 -1.997 2.303 -5.954 522 1HD1 LEU 64 HD11 LEU 64 0.037 1.049 -5.529 523 2HD1 LEU 64 HD12 LEU 64 -0.085 2.423 -4.431 524 3HD1 LEU 64 HD13 LEU 64 1.008 2.494 -5.815 525 1HD2 LEU 64 HD21 LEU 64 -1.161 4.456 -5.088 526 2HD2 LEU 64 HD22 LEU 64 -1.960 4.614 -6.654 527 3HD2 LEU 64 HD23 LEU 64 -0.199 4.648 -6.555 528 H LYS 65 HN LYS 65 -0.413 3.223 -10.527 529 HA LYS 65 HA LYS 65 -0.467 6.011 -10.323 530 1HB LYS 65 HB2 LYS 65 0.177 4.326 -12.747 531 2HB LYS 65 HB1 LYS 65 0.519 6.041 -12.595 532 1HG LYS 65 HG2 LYS 65 1.978 5.528 -10.661 533 2HG LYS 65 HG1 LYS 65 1.702 3.815 -10.961 534 1HD LYS 65 HD2 LYS 65 2.925 5.750 -12.929 535 2HD LYS 65 HD1 LYS 65 3.828 4.622 -11.922 536 1HE LYS 65 HE2 LYS 65 3.675 3.548 -13.991 537 2HE LYS 65 HE1 LYS 65 2.413 2.795 -13.020 538 1HZ LYS 65 HZ1 LYS 65 1.989 4.960 -15.018 539 2HZ LYS 65 HZ2 LYS 65 0.779 4.204 -14.107 540 3HZ LYS 65 HZ3 LYS 65 1.644 3.315 -15.256 541 H GLN 66 HN GLN 66 -2.307 3.853 -12.470 542 HA GLN 66 HA GLN 66 -3.524 6.033 -13.839 543 1HB GLN 66 HB2 GLN 66 -3.894 3.076 -13.871 544 2HB GLN 66 HB1 GLN 66 -5.161 4.088 -14.553 545 1HG GLN 66 HG2 GLN 66 -3.734 3.484 -16.336 546 2HG GLN 66 HG1 GLN 66 -3.405 5.175 -15.973 547 1HE2 GLN 66 HE21 GLN 66 -2.169 1.972 -16.047 548 2HE2 GLN 66 HE22 GLN 66 -0.525 2.368 -15.669 549 H SER 67 HN SER 67 -4.293 4.342 -10.914 550 HA SER 67 HA SER 67 -7.026 5.268 -10.861 551 1HB SER 67 HB2 SER 67 -5.348 4.034 -8.664 552 2HB SER 67 HB1 SER 67 -7.090 4.306 -8.599 553 HG SER 67 HG SER 67 -5.625 2.510 -10.224 554 H VAL 68 HN VAL 68 -3.947 6.503 -9.993 555 HA VAL 68 HA VAL 68 -5.009 8.568 -8.262 556 HB VAL 68 HB VAL 68 -2.249 8.173 -9.435 557 1HG1 VAL 68 HG11 VAL 68 -2.667 10.552 -9.102 558 2HG1 VAL 68 HG12 VAL 68 -1.514 9.948 -7.911 559 3HG1 VAL 68 HG13 VAL 68 -3.192 10.238 -7.446 560 1HG2 VAL 68 HG21 VAL 68 -3.329 7.806 -6.643 561 2HG2 VAL 68 HG22 VAL 68 -1.640 7.629 -7.116 562 3HG2 VAL 68 HG23 VAL 68 -2.856 6.523 -7.757 563 H LEU 69 HN LEU 69 -3.750 8.266 -11.554 564 HA LEU 69 HA LEU 69 -4.089 10.980 -12.275 565 1HB LEU 69 HB2 LEU 69 -2.839 8.956 -13.439 566 2HB LEU 69 HB1 LEU 69 -4.365 8.784 -14.284 567 HG LEU 69 HG LEU 69 -2.718 11.319 -14.265 568 1HD1 LEU 69 HD11 LEU 69 -1.493 9.533 -15.359 569 2HD1 LEU 69 HD12 LEU 69 -2.080 10.701 -16.545 570 3HD1 LEU 69 HD13 LEU 69 -2.902 9.152 -16.349 571 1HD2 LEU 69 HD21 LEU 69 -5.087 11.700 -14.699 572 2HD2 LEU 69 HD22 LEU 69 -5.064 10.466 -15.958 573 3HD2 LEU 69 HD23 LEU 69 -4.133 11.952 -16.159 574 H GLU 70 HN GLU 70 -6.036 8.159 -13.286 575 HA GLU 70 HA GLU 70 -8.339 9.874 -13.745 576 1HB GLU 70 HB2 GLU 70 -7.955 6.889 -14.074 577 2HB GLU 70 HB1 GLU 70 -9.420 7.760 -14.502 578 1HG GLU 70 HG2 GLU 70 -6.705 8.206 -15.714 579 2HG GLU 70 HG1 GLU 70 -8.024 7.291 -16.445 580 H HIS 71 HN HIS 71 -7.990 10.294 -11.283 581 HA HIS 71 HA HIS 71 -8.827 8.238 -9.485 582 1HB HIS 71 HB2 HIS 71 -7.243 10.113 -8.918 583 2HB HIS 71 HB1 HIS 71 -8.629 11.200 -8.924 584 HD1 HIS 71 HD1 HIS 71 -7.544 8.013 -7.165 585 HD2 HIS 71 HD2 HIS 71 -9.823 11.427 -6.500 586 HE1 HIS 71 HE1 HIS 71 -8.279 7.881 -4.759 587 HE2 HIS 71 HE2 HIS 71 -9.535 10.027 -4.337 588 H HIS 72 HN HIS 72 -10.269 11.407 -10.246 589 HA HIS 72 HA HIS 72 -12.823 10.501 -10.812 590 1HB HIS 72 HB2 HIS 72 -12.321 10.636 -7.959 591 2HB HIS 72 HB1 HIS 72 -13.600 11.757 -8.427 592 HD1 HIS 72 HD1 HIS 72 -14.926 10.073 -10.660 593 HD2 HIS 72 HD2 HIS 72 -13.817 8.571 -6.938 594 HE1 HIS 72 HE1 HIS 72 -16.332 8.019 -10.310 595 HE2 HIS 72 HE2 HIS 72 -15.636 7.108 -8.065 596 H HIS 73 HN HIS 73 -14.169 12.761 -9.393 597 HA HIS 73 HA HIS 73 -14.791 14.877 -9.906 598 1HB HIS 73 HB2 HIS 73 -11.988 15.092 -11.009 599 2HB HIS 73 HB1 HIS 73 -13.158 16.395 -11.158 600 HD1 HIS 73 HD1 HIS 73 -10.390 15.661 -9.223 601 HD2 HIS 73 HD2 HIS 73 -14.272 16.809 -8.263 602 HE1 HIS 73 HE1 HIS 73 -10.247 16.683 -6.936 603 HE2 HIS 73 HE2 HIS 73 -12.542 17.632 -6.524 604 H HIS 74 HN HIS 74 -16.443 14.362 -11.241 605 HA HIS 74 HA HIS 74 -15.880 13.578 -13.957 606 1HB HIS 74 HB2 HIS 74 -18.085 12.952 -14.169 607 2HB HIS 74 HB1 HIS 74 -17.891 12.804 -12.432 608 HD1 HIS 74 HD1 HIS 74 -19.843 14.497 -15.041 609 HD2 HIS 74 HD2 HIS 74 -19.205 14.923 -10.946 610 HE1 HIS 74 HE1 HIS 74 -21.701 15.979 -14.210 611 HE2 HIS 74 HE2 HIS 74 -21.374 16.115 -11.714 612 H HIS 75 HN HIS 75 -15.173 15.057 -15.299 613 HA HIS 75 HA HIS 75 -15.911 17.830 -14.970 614 1HB HIS 75 HB2 HIS 75 -13.609 16.957 -15.727 615 2HB HIS 75 HB1 HIS 75 -14.361 16.707 -17.299 616 HD1 HIS 75 HD1 HIS 75 -12.891 18.508 -18.425 617 HD2 HIS 75 HD2 HIS 75 -15.196 19.936 -15.269 618 HE1 HIS 75 HE1 HIS 75 -12.753 21.023 -18.560 619 HE2 HIS 75 HE2 HIS 75 -14.039 21.858 -16.556 620 H HIS 76 HN HIS 76 -16.775 15.111 -16.926 621 HA HIS 76 HA HIS 76 -18.626 16.773 -18.476 622 1HB HIS 76 HB2 HIS 76 -17.257 15.161 -19.758 623 2HB HIS 76 HB1 HIS 76 -17.920 13.843 -18.797 624 HD1 HIS 76 HD1 HIS 76 -18.838 16.256 -21.533 625 HD2 HIS 76 HD2 HIS 76 -20.477 13.003 -19.525 626 HE1 HIS 76 HE1 HIS 76 -20.892 15.620 -22.833 627 HE2 HIS 76 HE2 HIS 76 -21.987 13.810 -21.468 628 1H MET 1 HT1 MET 1 10.251 27.252 15.469 629 2H MET 1 HT2 MET 1 9.050 26.390 14.635 630 3H MET 1 HT3 MET 1 10.120 27.393 13.784 631 HA MET 1 HA MET 1 11.969 25.991 14.334 632 1HB MET 1 HB2 MET 1 9.870 24.333 15.748 633 2HB MET 1 HB1 MET 1 11.507 23.786 15.417 634 1HG MET 1 HG2 MET 1 12.388 25.596 16.799 635 2HG MET 1 HG1 MET 1 10.743 26.129 17.140 636 1HE MET 1 HE1 MET 1 11.956 24.584 20.546 637 2HE MET 1 HE2 MET 1 11.292 26.015 19.756 638 3HE MET 1 HE3 MET 1 12.926 25.474 19.373 639 HA PRO 2 HA PRO 2 10.286 24.335 10.483 640 1HB PRO 2 HB2 PRO 2 13.060 24.178 9.618 641 2HB PRO 2 HB1 PRO 2 11.762 25.194 8.991 642 1HG PRO 2 HG2 PRO 2 13.889 26.187 10.364 643 2HG PRO 2 HG1 PRO 2 12.288 26.950 10.369 644 1HD PRO 2 HD2 PRO 2 13.558 25.193 12.441 645 2HD PRO 2 HD1 PRO 2 12.573 26.658 12.654 646 H ILE 3 HN ILE 3 9.687 22.353 11.434 647 HA ILE 3 HA ILE 3 11.788 20.280 11.385 648 HB ILE 3 HB ILE 3 9.202 20.226 12.961 649 1HG1 ILE 3 HG12 ILE 3 12.042 20.654 13.928 650 2HG1 ILE 3 HG11 ILE 3 10.819 21.915 13.804 651 1HG2 ILE 3 HG21 ILE 3 9.989 18.011 12.311 652 2HG2 ILE 3 HG22 ILE 3 10.189 18.259 14.046 653 3HG2 ILE 3 HG23 ILE 3 11.584 18.370 12.974 654 1HD1 ILE 3 HD11 ILE 3 11.084 21.129 16.092 655 2HD1 ILE 3 HD12 ILE 3 10.665 19.493 15.584 656 3HD1 ILE 3 HD13 ILE 3 9.468 20.783 15.478 657 H VAL 4 HN VAL 4 11.617 19.550 9.334 658 HA VAL 4 HA VAL 4 8.969 18.647 8.421 659 HB VAL 4 HB VAL 4 11.418 19.189 6.728 660 1HG1 VAL 4 HG11 VAL 4 9.867 19.037 4.843 661 2HG1 VAL 4 HG12 VAL 4 8.553 18.654 5.955 662 3HG1 VAL 4 HG13 VAL 4 9.903 17.537 5.770 663 1HG2 VAL 4 HG21 VAL 4 8.956 20.891 7.112 664 2HG2 VAL 4 HG22 VAL 4 10.272 21.215 5.984 665 3HG2 VAL 4 HG23 VAL 4 10.568 21.255 7.722 666 H SER 5 HN SER 5 8.712 16.568 7.714 667 HA SER 5 HA SER 5 8.956 14.328 7.778 668 1HB SER 5 HB2 SER 5 10.993 13.430 6.664 669 2HB SER 5 HB1 SER 5 10.240 14.742 5.762 670 HG SER 5 HG SER 5 12.006 15.840 7.393 671 H LYS 6 HN LYS 6 11.796 13.167 8.178 672 HA LYS 6 HA LYS 6 13.036 12.263 9.836 673 1HB LYS 6 HB2 LYS 6 11.938 14.493 11.555 674 2HB LYS 6 HB1 LYS 6 13.226 13.395 12.023 675 1HG LYS 6 HG2 LYS 6 13.313 15.395 9.768 676 2HG LYS 6 HG1 LYS 6 14.142 15.521 11.319 677 1HD LYS 6 HD2 LYS 6 14.619 13.394 9.231 678 2HD LYS 6 HD1 LYS 6 15.655 14.790 9.532 679 1HE LYS 6 HE2 LYS 6 16.105 13.984 11.785 680 2HE LYS 6 HE1 LYS 6 15.027 12.612 11.525 681 1HZ LYS 6 HZ1 LYS 6 16.506 11.929 9.681 682 2HZ LYS 6 HZ2 LYS 6 17.267 11.897 11.198 683 3HZ LYS 6 HZ3 LYS 6 17.584 13.166 10.114 684 H TYR 7 HN TYR 7 10.181 13.415 11.629 685 HA TYR 7 HA TYR 7 8.655 12.350 12.943 686 1HB TYR 7 HB2 TYR 7 9.101 9.944 11.163 687 2HB TYR 7 HB1 TYR 7 7.658 10.334 12.090 688 HD1 TYR 7 HD1 TYR 7 6.246 12.302 11.372 689 HD2 TYR 7 HD2 TYR 7 9.406 10.754 8.981 690 HE1 TYR 7 HE1 TYR 7 5.307 13.436 9.401 691 HE2 TYR 7 HE2 TYR 7 8.477 11.885 7.011 692 HH TYR 7 HH TYR 7 6.554 12.848 6.184 693 H SER 8 HN SER 8 8.494 9.553 13.594 694 HA SER 8 HA SER 8 11.096 9.036 14.861 695 1HB SER 8 HB2 SER 8 9.333 9.815 16.512 696 2HB SER 8 HB1 SER 8 8.412 8.367 16.104 697 HG SER 8 HG SER 8 11.053 8.435 17.165 698 H ASN 9 HN ASN 9 11.938 7.216 14.070 699 HA ASN 9 HA ASN 9 10.631 5.563 12.237 700 1HB ASN 9 HB2 ASN 9 12.559 4.151 12.293 701 2HB ASN 9 HB1 ASN 9 13.130 5.796 12.536 702 1HD2 ASN 9 HD21 ASN 9 13.904 6.410 14.577 703 2HD2 ASN 9 HD22 ASN 9 14.366 5.230 15.761 704 H GLU 10 HN GLU 10 10.939 5.301 15.714 705 HA GLU 10 HA GLU 10 9.954 2.745 16.164 706 1HB GLU 10 HB2 GLU 10 9.649 5.320 17.706 707 2HB GLU 10 HB1 GLU 10 8.999 3.799 18.299 708 1HG GLU 10 HG2 GLU 10 11.886 4.057 17.547 709 2HG GLU 10 HG1 GLU 10 11.297 4.563 19.131 710 H ARG 11 HN ARG 11 8.155 5.788 15.929 711 HA ARG 11 HA ARG 11 5.602 4.608 16.152 712 1HB ARG 11 HB2 ARG 11 6.070 6.982 16.655 713 2HB ARG 11 HB1 ARG 11 6.366 7.273 14.945 714 1HG ARG 11 HG2 ARG 11 4.093 6.779 14.406 715 2HG ARG 11 HG1 ARG 11 3.758 6.284 16.066 716 1HD ARG 11 HD2 ARG 11 4.437 8.647 16.726 717 2HD ARG 11 HD1 ARG 11 4.332 9.037 15.008 718 HE ARG 11 HE ARG 11 1.980 7.727 16.008 719 1HH1 ARG 11 HH11 ARG 11 3.581 10.823 15.618 720 2HH1 ARG 11 HH12 ARG 11 2.112 11.741 15.791 721 1HH2 ARG 11 HH21 ARG 11 0.069 8.933 16.285 722 2HH2 ARG 11 HH22 ARG 11 0.120 10.669 16.177 723 H VAL 12 HN VAL 12 7.561 5.604 13.381 724 HA VAL 12 HA VAL 12 5.666 5.339 11.362 725 HB VAL 12 HB VAL 12 8.635 4.791 11.184 726 1HG1 VAL 12 HG11 VAL 12 6.647 5.397 8.997 727 2HG1 VAL 12 HG12 VAL 12 7.444 3.848 9.279 728 3HG1 VAL 12 HG13 VAL 12 8.393 5.252 8.791 729 1HG2 VAL 12 HG21 VAL 12 7.038 7.304 10.714 730 2HG2 VAL 12 HG22 VAL 12 8.747 7.107 10.328 731 3HG2 VAL 12 HG23 VAL 12 8.205 7.018 12.004 732 H GLU 13 HN GLU 13 8.076 2.901 12.388 733 HA GLU 13 HA GLU 13 6.968 0.946 10.626 734 1HB GLU 13 HB2 GLU 13 8.969 0.629 12.865 735 2HB GLU 13 HB1 GLU 13 8.563 -0.616 11.689 736 1HG GLU 13 HG2 GLU 13 9.286 0.981 9.898 737 2HG GLU 13 HG1 GLU 13 9.900 2.024 11.178 738 H LYS 14 HN LYS 14 6.274 1.935 13.848 739 HA LYS 14 HA LYS 14 4.942 -0.469 14.630 740 1HB LYS 14 HB2 LYS 14 5.778 1.269 16.230 741 2HB LYS 14 HB1 LYS 14 4.482 2.324 15.683 742 1HG LYS 14 HG2 LYS 14 2.818 0.817 16.514 743 2HG LYS 14 HG1 LYS 14 4.046 -0.385 16.919 744 1HD LYS 14 HD2 LYS 14 3.760 2.356 18.142 745 2HD LYS 14 HD1 LYS 14 3.326 0.826 18.906 746 1HE LYS 14 HE2 LYS 14 5.679 0.110 18.763 747 2HE LYS 14 HE1 LYS 14 6.093 1.670 18.051 748 1HZ LYS 14 HZ1 LYS 14 5.274 2.734 20.098 749 2HZ LYS 14 HZ2 LYS 14 6.585 1.696 20.379 750 3HZ LYS 14 HZ3 LYS 14 5.011 1.200 20.777 751 H ILE 15 HN ILE 15 3.965 2.544 13.061 752 HA ILE 15 HA ILE 15 1.201 2.035 12.904 753 HB ILE 15 HB ILE 15 2.968 3.483 10.916 754 1HG1 ILE 15 HG12 ILE 15 1.221 4.591 13.124 755 2HG1 ILE 15 HG11 ILE 15 2.970 4.418 13.223 756 1HG2 ILE 15 HG21 ILE 15 0.893 2.842 9.864 757 2HG2 ILE 15 HG22 ILE 15 0.882 4.578 10.178 758 3HG2 ILE 15 HG23 ILE 15 -0.033 3.486 11.218 759 1HD1 ILE 15 HD11 ILE 15 1.491 6.147 11.250 760 2HD1 ILE 15 HD12 ILE 15 3.243 5.985 11.383 761 3HD1 ILE 15 HD13 ILE 15 2.321 6.705 12.704 762 H ILE 16 HN ILE 16 3.864 1.248 10.712 763 HA ILE 16 HA ILE 16 2.473 -0.193 8.781 764 HB ILE 16 HB ILE 16 5.254 -0.784 9.814 765 1HG1 ILE 16 HG12 ILE 16 4.404 1.049 7.561 766 2HG1 ILE 16 HG11 ILE 16 4.899 1.594 9.159 767 1HG2 ILE 16 HG21 ILE 16 3.972 -1.380 7.151 768 2HG2 ILE 16 HG22 ILE 16 4.353 -2.557 8.409 769 3HG2 ILE 16 HG23 ILE 16 5.652 -1.698 7.582 770 1HD1 ILE 16 HD11 ILE 16 7.113 0.638 8.800 771 2HD1 ILE 16 HD12 ILE 16 6.699 1.815 7.551 772 3HD1 ILE 16 HD13 ILE 16 6.615 0.089 7.201 773 H GLN 17 HN GLN 17 3.959 -1.315 11.799 774 HA GLN 17 HA GLN 17 3.351 -4.021 11.598 775 1HB GLN 17 HB2 GLN 17 4.872 -3.243 13.283 776 2HB GLN 17 HB1 GLN 17 3.631 -2.244 14.023 777 1HG GLN 17 HG2 GLN 17 4.071 -4.251 15.331 778 2HG GLN 17 HG1 GLN 17 2.417 -4.228 14.724 779 1HE2 GLN 17 HE21 GLN 17 2.160 -6.444 14.860 780 2HE2 GLN 17 HE22 GLN 17 2.966 -7.539 13.791 781 H ASP 18 HN ASP 18 1.412 -1.383 12.996 782 HA ASP 18 HA ASP 18 -0.667 -3.054 13.945 783 1HB ASP 18 HB2 ASP 18 -0.150 -0.612 14.579 784 2HB ASP 18 HB1 ASP 18 -1.086 -0.187 13.147 785 H LEU 19 HN LEU 19 -0.169 -1.361 10.897 786 HA LEU 19 HA LEU 19 -2.662 -2.001 9.731 787 1HB LEU 19 HB2 LEU 19 -0.006 -1.574 8.361 788 2HB LEU 19 HB1 LEU 19 -1.577 -1.532 7.587 789 HG LEU 19 HG LEU 19 -0.599 0.418 9.676 790 1HD1 LEU 19 HD11 LEU 19 -1.012 0.738 6.708 791 2HD1 LEU 19 HD12 LEU 19 0.538 0.699 7.549 792 3HD1 LEU 19 HD13 LEU 19 -0.587 2.028 7.835 793 1HD2 LEU 19 HD21 LEU 19 -3.161 0.346 8.090 794 2HD2 LEU 19 HD22 LEU 19 -2.630 1.681 9.112 795 3HD2 LEU 19 HD23 LEU 19 -2.998 0.112 9.829 796 H LEU 20 HN LEU 20 0.500 -3.611 9.620 797 HA LEU 20 HA LEU 20 -0.242 -5.767 7.978 798 1HB LEU 20 HB2 LEU 20 1.858 -5.619 10.144 799 2HB LEU 20 HB1 LEU 20 1.719 -6.926 8.983 800 HG LEU 20 HG LEU 20 2.329 -4.042 8.320 801 1HD1 LEU 20 HD11 LEU 20 4.181 -5.163 9.435 802 2HD1 LEU 20 HD12 LEU 20 4.539 -4.885 7.731 803 3HD1 LEU 20 HD13 LEU 20 4.082 -6.495 8.282 804 1HD2 LEU 20 HD21 LEU 20 2.183 -6.482 6.554 805 2HD2 LEU 20 HD22 LEU 20 2.747 -4.886 6.058 806 3HD2 LEU 20 HD23 LEU 20 1.068 -5.114 6.545 807 H ASP 21 HN ASP 21 -0.401 -5.304 11.467 808 HA ASP 21 HA ASP 21 -1.084 -7.900 12.233 809 1HB ASP 21 HB2 ASP 21 -0.465 -6.205 13.866 810 2HB ASP 21 HB1 ASP 21 -1.897 -5.262 13.467 811 H VAL 22 HN VAL 22 -3.143 -5.204 11.206 812 HA VAL 22 HA VAL 22 -5.620 -6.479 11.536 813 HB VAL 22 HB VAL 22 -4.845 -4.429 9.446 814 1HG1 VAL 22 HG11 VAL 22 -7.238 -3.914 9.340 815 2HG1 VAL 22 HG12 VAL 22 -7.572 -5.245 10.448 816 3HG1 VAL 22 HG13 VAL 22 -6.909 -5.575 8.847 817 1HG2 VAL 22 HG21 VAL 22 -6.077 -4.093 12.180 818 2HG2 VAL 22 HG22 VAL 22 -5.818 -2.800 11.007 819 3HG2 VAL 22 HG23 VAL 22 -4.436 -3.643 11.712 820 H LEU 23 HN LEU 23 -3.412 -6.384 8.762 821 HA LEU 23 HA LEU 23 -4.994 -7.893 6.999 822 1HB LEU 23 HB2 LEU 23 -1.982 -7.713 7.128 823 2HB LEU 23 HB1 LEU 23 -2.914 -8.298 5.763 824 HG LEU 23 HG LEU 23 -2.997 -5.476 6.839 825 1HD1 LEU 23 HD11 LEU 23 -1.723 -6.573 4.335 826 2HD1 LEU 23 HD12 LEU 23 -0.862 -6.023 5.772 827 3HD1 LEU 23 HD13 LEU 23 -1.795 -4.876 4.811 828 1HD2 LEU 23 HD21 LEU 23 -5.112 -6.158 5.832 829 2HD2 LEU 23 HD22 LEU 23 -4.263 -6.699 4.385 830 3HD2 LEU 23 HD23 LEU 23 -4.280 -4.988 4.809 831 H VAL 24 HN VAL 24 -2.491 -8.885 9.307 832 HA VAL 24 HA VAL 24 -2.575 -11.644 8.643 833 HB VAL 24 HB VAL 24 -1.650 -10.328 11.204 834 1HG1 VAL 24 HG11 VAL 24 -1.082 -13.098 10.150 835 2HG1 VAL 24 HG12 VAL 24 -2.162 -12.715 11.490 836 3HG1 VAL 24 HG13 VAL 24 -0.434 -12.388 11.631 837 1HG2 VAL 24 HG21 VAL 24 0.600 -10.611 10.250 838 2HG2 VAL 24 HG22 VAL 24 -0.410 -9.551 9.266 839 3HG2 VAL 24 HG23 VAL 24 -0.123 -11.215 8.758 840 H LYS 25 HN LYS 25 -4.162 -9.717 11.175 841 HA LYS 25 HA LYS 25 -5.483 -11.787 12.511 842 1HB LYS 25 HB2 LYS 25 -5.447 -9.553 13.432 843 2HB LYS 25 HB1 LYS 25 -6.330 -8.923 12.049 844 1HG LYS 25 HG2 LYS 25 -8.221 -10.466 12.732 845 2HG LYS 25 HG1 LYS 25 -7.338 -10.708 14.240 846 1HD LYS 25 HD2 LYS 25 -7.478 -8.382 14.775 847 2HD LYS 25 HD1 LYS 25 -8.135 -8.003 13.182 848 1HE LYS 25 HE2 LYS 25 -9.471 -9.656 15.324 849 2HE LYS 25 HE1 LYS 25 -9.899 -8.010 14.853 850 1HZ LYS 25 HZ1 LYS 25 -10.308 -8.952 12.562 851 2HZ LYS 25 HZ2 LYS 25 -11.412 -9.422 13.762 852 3HZ LYS 25 HZ3 LYS 25 -10.201 -10.495 13.264 853 H GLU 26 HN GLU 26 -6.486 -9.909 9.682 854 HA GLU 26 HA GLU 26 -9.072 -11.142 9.552 855 1HB GLU 26 HB2 GLU 26 -7.608 -9.425 7.544 856 2HB GLU 26 HB1 GLU 26 -9.294 -9.905 7.420 857 1HG GLU 26 HG2 GLU 26 -8.074 -8.165 9.552 858 2HG GLU 26 HG1 GLU 26 -9.138 -7.652 8.245 859 H GLU 27 HN GLU 27 -6.006 -12.132 8.594 860 HA GLU 27 HA GLU 27 -5.204 -13.873 7.370 861 1HB GLU 27 HB2 GLU 27 -8.078 -14.810 7.452 862 2HB GLU 27 HB1 GLU 27 -6.708 -15.790 6.959 863 1HG GLU 27 HG2 GLU 27 -5.758 -15.533 9.220 864 2HG GLU 27 HG1 GLU 27 -7.210 -14.649 9.693 865 H VAL 28 HN VAL 28 -5.917 -11.532 5.955 866 HA VAL 28 HA VAL 28 -7.485 -12.158 3.661 867 HB VAL 28 HB VAL 28 -6.675 -10.031 2.734 868 1HG1 VAL 28 HG11 VAL 28 -7.606 -8.568 4.466 869 2HG1 VAL 28 HG12 VAL 28 -7.470 -9.875 5.640 870 3HG1 VAL 28 HG13 VAL 28 -8.567 -10.034 4.268 871 1HG2 VAL 28 HG21 VAL 28 -4.382 -10.071 3.521 872 2HG2 VAL 28 HG22 VAL 28 -4.928 -9.941 5.192 873 3HG2 VAL 28 HG23 VAL 28 -5.183 -8.600 4.075 874 H THR 29 HN THR 29 -6.814 -12.441 1.513 875 HA THR 29 HA THR 29 -4.388 -13.949 1.218 876 HB THR 29 HB THR 29 -5.156 -13.954 -1.251 877 HG1 THR 29 HG1 THR 29 -7.745 -13.475 -0.487 878 1HG2 THR 29 HG21 THR 29 -5.435 -15.853 0.278 879 2HG2 THR 29 HG22 THR 29 -6.818 -15.689 -0.805 880 3HG2 THR 29 HG23 THR 29 -6.942 -15.152 0.871 881 HA PRO 30 HA PRO 30 -1.484 -10.941 -0.167 882 1HB PRO 30 HB2 PRO 30 -1.215 -12.517 -2.683 883 2HB PRO 30 HB1 PRO 30 0.035 -11.959 -1.565 884 1HG PRO 30 HG2 PRO 30 -0.724 -14.509 -1.580 885 2HG PRO 30 HG1 PRO 30 -0.362 -13.677 -0.055 886 1HD PRO 30 HD2 PRO 30 -3.001 -14.409 -1.240 887 2HD PRO 30 HD1 PRO 30 -2.498 -14.374 0.462 888 H ASP 31 HN ASP 31 -3.471 -12.101 -2.889 889 HA ASP 31 HA ASP 31 -3.316 -9.758 -4.423 890 1HB ASP 31 HB2 ASP 31 -5.423 -11.928 -4.374 891 2HB ASP 31 HB1 ASP 31 -5.336 -10.665 -5.597 892 H LEU 32 HN LEU 32 -5.632 -10.787 -1.960 893 HA LEU 32 HA LEU 32 -7.440 -8.633 -2.293 894 1HB LEU 32 HB2 LEU 32 -8.058 -10.700 -1.142 895 2HB LEU 32 HB1 LEU 32 -6.885 -10.368 0.118 896 HG LEU 32 HG LEU 32 -8.194 -8.332 0.726 897 1HD1 LEU 32 HD11 LEU 32 -9.302 -7.948 -1.401 898 2HD1 LEU 32 HD12 LEU 32 -10.486 -8.135 -0.104 899 3HD1 LEU 32 HD13 LEU 32 -10.188 -9.463 -1.224 900 1HD2 LEU 32 HD21 LEU 32 -9.989 -9.552 1.844 901 2HD2 LEU 32 HD22 LEU 32 -8.461 -10.425 1.948 902 3HD2 LEU 32 HD23 LEU 32 -9.696 -10.944 0.802 903 H ALA 33 HN ALA 33 -4.731 -9.189 -0.080 904 HA ALA 33 HA ALA 33 -4.936 -6.880 1.460 905 1HB ALA 33 HB1 ALA 33 -3.478 -8.778 2.009 906 2HB ALA 33 HB2 ALA 33 -2.611 -7.243 2.053 907 3HB ALA 33 HB3 ALA 33 -2.411 -8.329 0.678 908 H LEU 34 HN LEU 34 -3.059 -7.436 -1.505 909 HA LEU 34 HA LEU 34 -1.911 -4.874 -1.623 910 1HB LEU 34 HB2 LEU 34 -2.497 -6.836 -3.839 911 2HB LEU 34 HB1 LEU 34 -1.506 -5.400 -4.020 912 HG LEU 34 HG LEU 34 -0.895 -7.737 -2.206 913 1HD1 LEU 34 HD11 LEU 34 0.361 -6.845 -4.795 914 2HD1 LEU 34 HD12 LEU 34 -0.610 -8.296 -4.548 915 3HD1 LEU 34 HD13 LEU 34 0.960 -8.140 -3.758 916 1HD2 LEU 34 HD21 LEU 34 0.719 -5.262 -2.818 917 2HD2 LEU 34 HD22 LEU 34 1.246 -6.629 -1.833 918 3HD2 LEU 34 HD23 LEU 34 -0.093 -5.614 -1.291 919 H MET 35 HN MET 35 -4.956 -6.139 -2.891 920 HA MET 35 HA MET 35 -5.646 -3.900 -4.450 921 1HB MET 35 HB2 MET 35 -6.798 -6.071 -4.609 922 2HB MET 35 HB1 MET 35 -7.482 -5.823 -3.008 923 1HG MET 35 HG2 MET 35 -8.737 -3.913 -3.800 924 2HG MET 35 HG1 MET 35 -7.994 -4.057 -5.392 925 1HE MET 35 HE1 MET 35 -10.385 -5.712 -2.772 926 2HE MET 35 HE2 MET 35 -9.234 -7.016 -3.079 927 3HE MET 35 HE3 MET 35 -10.905 -7.171 -3.618 928 H CYS 36 HN CYS 36 -6.372 -4.706 -1.069 929 HA CYS 36 HA CYS 36 -7.839 -2.352 -0.517 930 1HB CYS 36 HB2 CYS 36 -6.317 -4.176 1.358 931 2HB CYS 36 HB1 CYS 36 -7.466 -2.941 1.860 932 HG CYS 36 HG CYS 36 -9.522 -4.271 0.216 933 H LEU 37 HN LEU 37 -4.418 -3.201 -0.066 934 HA LEU 37 HA LEU 37 -3.608 -0.820 1.185 935 1HB LEU 37 HB2 LEU 37 -2.067 -2.711 -0.594 936 2HB LEU 37 HB1 LEU 37 -1.330 -1.398 0.302 937 HG LEU 37 HG LEU 37 -2.786 -3.739 1.535 938 1HD1 LEU 37 HD11 LEU 37 0.164 -3.129 1.351 939 2HD1 LEU 37 HD12 LEU 37 -0.687 -4.431 0.520 940 3HD1 LEU 37 HD13 LEU 37 -0.556 -4.445 2.279 941 1HD2 LEU 37 HD21 LEU 37 -2.947 -1.699 2.869 942 2HD2 LEU 37 HD22 LEU 37 -1.195 -1.509 2.798 943 3HD2 LEU 37 HD23 LEU 37 -1.898 -2.886 3.644 944 H GLY 38 HN GLY 38 -3.737 -1.713 -2.242 945 1HA GLY 38 HA2 GLY 38 -2.597 0.593 -3.322 946 2HA GLY 38 HA1 GLY 38 -3.775 -0.425 -4.137 947 H ASN 39 HN ASN 39 -5.963 -0.049 -2.431 948 HA ASN 39 HA ASN 39 -7.021 2.366 -3.439 949 1HB ASN 39 HB2 ASN 39 -7.969 0.411 -1.365 950 2HB ASN 39 HB1 ASN 39 -8.845 1.908 -1.652 951 1HD2 ASN 39 HD21 ASN 39 -7.177 0.160 -4.179 952 2HD2 ASN 39 HD22 ASN 39 -8.597 -0.355 -5.015 953 H ALA 40 HN ALA 40 -5.798 1.463 -0.252 954 HA ALA 40 HA ALA 40 -6.340 3.846 1.097 955 1HB ALA 40 HB1 ALA 40 -4.648 3.148 2.693 956 2HB ALA 40 HB2 ALA 40 -4.005 1.984 1.534 957 3HB ALA 40 HB3 ALA 40 -5.625 1.765 2.198 958 H VAL 41 HN VAL 41 -3.402 2.850 -0.648 959 HA VAL 41 HA VAL 41 -1.919 5.195 -0.258 960 HB VAL 41 HB VAL 41 -1.829 3.332 -2.642 961 1HG1 VAL 41 HG11 VAL 41 0.465 4.146 -2.931 962 2HG1 VAL 41 HG12 VAL 41 0.223 5.290 -1.609 963 3HG1 VAL 41 HG13 VAL 41 -0.712 5.449 -3.095 964 1HG2 VAL 41 HG21 VAL 41 -1.494 2.140 -0.548 965 2HG2 VAL 41 HG22 VAL 41 -0.251 3.298 -0.069 966 3HG2 VAL 41 HG23 VAL 41 0.016 2.238 -1.455 967 H THR 42 HN THR 42 -4.163 4.291 -2.839 968 HA THR 42 HA THR 42 -3.760 6.485 -4.519 969 HB THR 42 HB THR 42 -6.316 4.911 -4.137 970 HG1 THR 42 HG1 THR 42 -4.609 3.522 -4.656 971 1HG2 THR 42 HG21 THR 42 -5.317 6.492 -6.514 972 2HG2 THR 42 HG22 THR 42 -6.629 6.974 -5.437 973 3HG2 THR 42 HG23 THR 42 -6.802 5.541 -6.448 974 H ASN 43 HN ASN 43 -5.820 6.123 -1.676 975 HA ASN 43 HA ASN 43 -7.180 8.617 -2.075 976 1HB ASN 43 HB2 ASN 43 -8.204 6.771 -0.789 977 2HB ASN 43 HB1 ASN 43 -6.954 6.944 0.438 978 1HD2 ASN 43 HD21 ASN 43 -7.099 8.588 1.920 979 2HD2 ASN 43 HD22 ASN 43 -8.464 9.642 2.049 980 H ILE 44 HN ILE 44 -4.298 7.570 -0.373 981 HA ILE 44 HA ILE 44 -3.901 9.935 1.151 982 HB ILE 44 HB ILE 44 -1.887 7.896 0.184 983 1HG1 ILE 44 HG12 ILE 44 -3.571 6.926 1.646 984 2HG1 ILE 44 HG11 ILE 44 -2.032 7.029 2.494 985 1HG2 ILE 44 HG21 ILE 44 -1.565 10.021 2.297 986 2HG2 ILE 44 HG22 ILE 44 -0.800 10.015 0.708 987 3HG2 ILE 44 HG23 ILE 44 -0.386 8.773 1.890 988 1HD1 ILE 44 HD11 ILE 44 -4.374 8.892 2.820 989 2HD1 ILE 44 HD12 ILE 44 -2.826 9.036 3.655 990 3HD1 ILE 44 HD13 ILE 44 -3.862 7.639 3.951 991 H ILE 45 HN ILE 45 -2.743 8.876 -2.025 992 HA ILE 45 HA ILE 45 -1.132 11.166 -2.503 993 HB ILE 45 HB ILE 45 -2.347 9.266 -4.519 994 1HG1 ILE 45 HG12 ILE 45 0.371 9.215 -3.183 995 2HG1 ILE 45 HG11 ILE 45 -0.969 8.136 -2.799 996 1HG2 ILE 45 HG21 ILE 45 -1.568 11.328 -5.553 997 2HG2 ILE 45 HG22 ILE 45 -0.515 9.981 -5.987 998 3HG2 ILE 45 HG23 ILE 45 -0.000 11.147 -4.767 999 1HD1 ILE 45 HD11 ILE 45 0.463 8.310 -5.440 1000 2HD1 ILE 45 HD12 ILE 45 -0.878 7.226 -5.061 1001 3HD1 ILE 45 HD13 ILE 45 0.665 7.048 -4.225 1002 H ALA 46 HN ALA 46 -4.506 10.622 -2.641 1003 HA ALA 46 HA ALA 46 -5.116 12.636 -4.587 1004 1HB ALA 46 HB1 ALA 46 -7.442 12.312 -3.884 1005 2HB ALA 46 HB2 ALA 46 -6.892 11.307 -2.543 1006 3HB ALA 46 HB3 ALA 46 -6.635 10.776 -4.204 1007 H GLN 47 HN GLN 47 -4.079 12.772 -1.401 1008 HA GLN 47 HA GLN 47 -5.604 15.089 -0.605 1009 1HB GLN 47 HB2 GLN 47 -3.234 13.718 0.676 1010 2HB GLN 47 HB1 GLN 47 -4.112 15.062 1.391 1011 1HG GLN 47 HG2 GLN 47 -6.134 13.732 1.485 1012 2HG GLN 47 HG1 GLN 47 -5.307 12.392 0.691 1013 1HE2 GLN 47 HE21 GLN 47 -5.684 11.004 2.394 1014 2HE2 GLN 47 HE22 GLN 47 -4.850 11.138 3.903 1015 H VAL 48 HN VAL 48 -2.521 14.448 -2.085 1016 HA VAL 48 HA VAL 48 -1.559 17.142 -1.617 1017 HB VAL 48 HB VAL 48 0.414 16.475 -2.937 1018 1HG1 VAL 48 HG11 VAL 48 1.280 14.802 -1.367 1019 2HG1 VAL 48 HG12 VAL 48 -0.356 14.520 -0.776 1020 3HG1 VAL 48 HG13 VAL 48 0.406 16.093 -0.542 1021 1HG2 VAL 48 HG21 VAL 48 -0.650 14.934 -4.489 1022 2HG2 VAL 48 HG22 VAL 48 -0.971 13.807 -3.171 1023 3HG2 VAL 48 HG23 VAL 48 0.692 14.150 -3.652 1024 HA PRO 49 HA PRO 49 -2.881 19.105 -5.366 1025 1HB PRO 49 HB2 PRO 49 -0.477 20.086 -6.350 1026 2HB PRO 49 HB1 PRO 49 -1.492 20.894 -5.152 1027 1HG PRO 49 HG2 PRO 49 0.946 19.219 -4.759 1028 2HG PRO 49 HG1 PRO 49 0.435 20.683 -3.898 1029 1HD PRO 49 HD2 PRO 49 0.161 18.251 -2.806 1030 2HD PRO 49 HD1 PRO 49 -1.053 19.523 -2.549 1031 H GLU 50 HN GLU 50 -3.037 18.746 -7.561 1032 HA GLU 50 HA GLU 50 -2.416 16.124 -8.394 1033 1HB GLU 50 HB2 GLU 50 -3.326 18.454 -10.085 1034 2HB GLU 50 HB1 GLU 50 -3.461 16.749 -10.498 1035 1HG GLU 50 HG2 GLU 50 -4.942 16.418 -8.583 1036 2HG GLU 50 HG1 GLU 50 -4.833 18.138 -8.218 1037 H SER 51 HN SER 51 -0.810 19.157 -8.773 1038 HA SER 51 HA SER 51 0.778 18.655 -10.999 1039 1HB SER 51 HB2 SER 51 0.498 20.830 -9.705 1040 2HB SER 51 HB1 SER 51 1.691 20.198 -8.570 1041 HG SER 51 HG SER 51 2.057 20.611 -11.360 1042 H LYS 52 HN LYS 52 1.113 17.547 -7.673 1043 HA LYS 52 HA LYS 52 3.648 16.282 -8.440 1044 1HB LYS 52 HB2 LYS 52 4.167 16.072 -6.074 1045 2HB LYS 52 HB1 LYS 52 3.835 17.745 -6.496 1046 1HG LYS 52 HG2 LYS 52 1.663 17.630 -5.487 1047 2HG LYS 52 HG1 LYS 52 1.838 15.895 -5.211 1048 1HD LYS 52 HD2 LYS 52 2.238 17.155 -3.159 1049 2HD LYS 52 HD1 LYS 52 3.702 16.323 -3.683 1050 1HE LYS 52 HE2 LYS 52 4.532 18.406 -4.665 1051 2HE LYS 52 HE1 LYS 52 3.066 19.237 -4.147 1052 1HZ LYS 52 HZ1 LYS 52 3.661 18.718 -1.845 1053 2HZ LYS 52 HZ2 LYS 52 4.844 19.663 -2.605 1054 3HZ LYS 52 HZ3 LYS 52 5.106 18.001 -2.372 1055 H ARG 53 HN ARG 53 0.398 15.521 -8.043 1056 HA ARG 53 HA ARG 53 0.475 13.100 -6.641 1057 1HB ARG 53 HB2 ARG 53 -1.346 14.013 -8.869 1058 2HB ARG 53 HB1 ARG 53 -1.568 12.488 -8.024 1059 1HG ARG 53 HG2 ARG 53 -1.758 13.765 -5.899 1060 2HG ARG 53 HG1 ARG 53 -1.699 15.255 -6.845 1061 1HD ARG 53 HD2 ARG 53 -3.684 14.429 -8.120 1062 2HD ARG 53 HD1 ARG 53 -3.780 13.076 -6.993 1063 HE ARG 53 HE ARG 53 -3.784 15.228 -5.356 1064 1HH1 ARG 53 HH11 ARG 53 -5.724 14.318 -8.142 1065 2HH1 ARG 53 HH12 ARG 53 -7.096 15.256 -7.641 1066 1HH2 ARG 53 HH21 ARG 53 -5.614 16.426 -4.692 1067 2HH2 ARG 53 HH22 ARG 53 -7.031 16.472 -5.697 1068 H VAL 54 HN VAL 54 0.890 13.693 -10.127 1069 HA VAL 54 HA VAL 54 1.204 10.933 -10.761 1070 HB VAL 54 HB VAL 54 2.129 13.315 -12.379 1071 1HG1 VAL 54 HG11 VAL 54 3.063 11.159 -13.092 1072 2HG1 VAL 54 HG12 VAL 54 1.954 11.825 -14.289 1073 3HG1 VAL 54 HG13 VAL 54 1.431 10.509 -13.239 1074 1HG2 VAL 54 HG21 VAL 54 -0.525 11.880 -12.454 1075 2HG2 VAL 54 HG22 VAL 54 -0.019 13.188 -13.524 1076 3HG2 VAL 54 HG23 VAL 54 -0.249 13.496 -11.804 1077 H ALA 55 HN ALA 55 3.383 13.549 -9.931 1078 HA ALA 55 HA ALA 55 5.798 12.236 -10.593 1079 1HB ALA 55 HB1 ALA 55 6.884 13.971 -9.269 1080 2HB ALA 55 HB2 ALA 55 5.324 14.451 -8.603 1081 3HB ALA 55 HB3 ALA 55 5.650 14.658 -10.324 1082 H VAL 56 HN VAL 56 4.021 12.559 -7.512 1083 HA VAL 56 HA VAL 56 5.980 11.132 -6.026 1084 HB VAL 56 HB VAL 56 4.318 11.004 -4.211 1085 1HG1 VAL 56 HG11 VAL 56 5.710 12.983 -4.433 1086 2HG1 VAL 56 HG12 VAL 56 4.117 13.403 -3.808 1087 3HG1 VAL 56 HG13 VAL 56 4.512 13.723 -5.497 1088 1HG2 VAL 56 HG21 VAL 56 2.444 12.325 -6.166 1089 2HG2 VAL 56 HG22 VAL 56 2.138 12.103 -4.444 1090 3HG2 VAL 56 HG23 VAL 56 2.286 10.699 -5.500 1091 H VAL 57 HN VAL 57 2.947 10.142 -7.601 1092 HA VAL 57 HA VAL 57 2.967 7.532 -6.505 1093 HB VAL 57 HB VAL 57 0.938 8.585 -7.498 1094 1HG1 VAL 57 HG11 VAL 57 2.269 7.944 -10.125 1095 2HG1 VAL 57 HG12 VAL 57 1.860 9.547 -9.511 1096 3HG1 VAL 57 HG13 VAL 57 0.580 8.409 -9.928 1097 1HG2 VAL 57 HG21 VAL 57 1.685 5.900 -8.651 1098 2HG2 VAL 57 HG22 VAL 57 0.049 6.530 -8.469 1099 3HG2 VAL 57 HG23 VAL 57 1.026 6.191 -7.040 1100 H ASP 58 HN ASP 58 4.457 8.917 -9.383 1101 HA ASP 58 HA ASP 58 5.129 6.414 -10.555 1102 1HB ASP 58 HB2 ASP 58 5.092 8.646 -11.764 1103 2HB ASP 58 HB1 ASP 58 6.638 8.987 -10.989 1104 H ASN 59 HN ASN 59 6.971 8.738 -8.597 1105 HA ASN 59 HA ASN 59 9.306 7.179 -8.386 1106 1HB ASN 59 HB2 ASN 59 8.149 9.383 -6.701 1107 2HB ASN 59 HB1 ASN 59 9.589 8.521 -6.172 1108 1HD2 ASN 59 HD21 ASN 59 8.253 10.698 -8.540 1109 2HD2 ASN 59 HD22 ASN 59 9.768 11.207 -9.211 1110 H PHE 60 HN PHE 60 6.332 7.244 -6.524 1111 HA PHE 60 HA PHE 60 6.971 5.452 -4.486 1112 1HB PHE 60 HB2 PHE 60 4.868 6.771 -4.647 1113 2HB PHE 60 HB1 PHE 60 4.348 5.735 -5.969 1114 HD1 PHE 60 HD2 PHE 60 5.179 5.734 -2.353 1115 HD2 PHE 60 HD1 PHE 60 3.247 3.734 -5.572 1116 HE1 PHE 60 HE2 PHE 60 4.087 4.216 -0.752 1117 HE2 PHE 60 HE1 PHE 60 2.149 2.218 -3.979 1118 HZ PHE 60 HZ PHE 60 2.563 2.460 -1.571 1119 H THR 61 HN THR 61 5.596 4.821 -7.697 1120 HA THR 61 HA THR 61 5.533 2.011 -7.375 1121 HB THR 61 HB THR 61 5.126 1.956 -9.837 1122 HG1 THR 61 HG1 THR 61 6.003 4.574 -9.608 1123 1HG2 THR 61 HG21 THR 61 2.971 3.165 -9.723 1124 2HG2 THR 61 HG22 THR 61 3.499 3.915 -8.217 1125 3HG2 THR 61 HG23 THR 61 3.273 2.166 -8.299 1126 H LYS 62 HN LYS 62 7.880 4.214 -8.855 1127 HA LYS 62 HA LYS 62 9.628 2.284 -9.909 1128 1HB LYS 62 HB2 LYS 62 9.788 4.691 -10.400 1129 2HB LYS 62 HB1 LYS 62 10.259 5.003 -8.737 1130 1HG LYS 62 HG2 LYS 62 12.327 3.818 -9.048 1131 2HG LYS 62 HG1 LYS 62 11.846 3.329 -10.674 1132 1HD LYS 62 HD2 LYS 62 11.755 5.720 -11.322 1133 2HD LYS 62 HD1 LYS 62 12.338 6.150 -9.713 1134 1HE LYS 62 HE2 LYS 62 13.837 4.364 -11.624 1135 2HE LYS 62 HE1 LYS 62 14.096 6.102 -11.501 1136 1HZ LYS 62 HZ1 LYS 62 15.720 4.961 -10.192 1137 2HZ LYS 62 HZ2 LYS 62 14.531 4.093 -9.359 1138 3HZ LYS 62 HZ3 LYS 62 14.660 5.769 -9.140 1139 H ALA 63 HN ALA 63 9.482 3.812 -6.722 1140 HA ALA 63 HA ALA 63 11.698 2.569 -5.560 1141 1HB ALA 63 HB1 ALA 63 10.543 4.478 -4.551 1142 2HB ALA 63 HB2 ALA 63 10.688 3.135 -3.417 1143 3HB ALA 63 HB3 ALA 63 9.146 3.452 -4.215 1144 H LEU 64 HN LEU 64 8.261 1.609 -5.503 1145 HA LEU 64 HA LEU 64 8.435 -0.695 -3.995 1146 1HB LEU 64 HB2 LEU 64 6.661 0.121 -6.261 1147 2HB LEU 64 HB1 LEU 64 6.538 -1.501 -5.609 1148 HG LEU 64 HG LEU 64 6.222 0.997 -3.942 1149 1HD1 LEU 64 HD11 LEU 64 4.469 0.867 -5.635 1150 2HD1 LEU 64 HD12 LEU 64 3.832 0.542 -4.024 1151 3HD1 LEU 64 HD13 LEU 64 4.115 -0.790 -5.146 1152 1HD2 LEU 64 HD21 LEU 64 5.256 -0.536 -2.313 1153 2HD2 LEU 64 HD22 LEU 64 6.909 -1.006 -2.713 1154 3HD2 LEU 64 HD23 LEU 64 5.550 -1.895 -3.404 1155 H LYS 65 HN LYS 65 8.768 -0.450 -7.528 1156 HA LYS 65 HA LYS 65 9.182 -3.128 -8.093 1157 1HB LYS 65 HB2 LYS 65 10.063 -0.597 -9.426 1158 2HB LYS 65 HB1 LYS 65 10.616 -2.146 -10.041 1159 1HG LYS 65 HG2 LYS 65 8.403 -2.845 -10.530 1160 2HG LYS 65 HG1 LYS 65 7.713 -1.483 -9.645 1161 1HD LYS 65 HD2 LYS 65 8.372 0.060 -11.286 1162 2HD LYS 65 HD1 LYS 65 9.512 -1.070 -12.016 1163 1HE LYS 65 HE2 LYS 65 6.553 -1.583 -11.974 1164 2HE LYS 65 HE1 LYS 65 7.321 -0.645 -13.252 1165 1HZ LYS 65 HZ1 LYS 65 8.047 -3.433 -12.527 1166 2HZ LYS 65 HZ2 LYS 65 8.690 -2.529 -13.806 1167 3HZ LYS 65 HZ3 LYS 65 7.062 -3.001 -13.834 1168 H GLN 66 HN GLN 66 11.689 -0.660 -7.424 1169 HA GLN 66 HA GLN 66 13.746 -2.661 -7.605 1170 1HB GLN 66 HB2 GLN 66 13.725 0.274 -7.079 1171 2HB GLN 66 HB1 GLN 66 15.158 -0.657 -6.667 1172 1HG GLN 66 HG2 GLN 66 15.548 0.168 -8.823 1173 2HG GLN 66 HG1 GLN 66 15.111 -1.525 -9.043 1174 1HE2 GLN 66 HE21 GLN 66 14.182 1.763 -9.526 1175 2HE2 GLN 66 HE22 GLN 66 12.842 1.452 -10.579 1176 H SER 67 HN SER 67 11.754 -1.516 -5.050 1177 HA SER 67 HA SER 67 13.647 -2.228 -2.984 1178 1HB SER 67 HB2 SER 67 10.715 -1.507 -2.790 1179 2HB SER 67 HB1 SER 67 11.792 -1.750 -1.415 1180 HG SER 67 HG SER 67 11.868 0.274 -3.388 1181 H VAL 68 HN VAL 68 11.058 -3.773 -4.716 1182 HA VAL 68 HA VAL 68 10.922 -5.979 -2.833 1183 HB VAL 68 HB VAL 68 9.546 -5.573 -5.496 1184 1HG1 VAL 68 HG11 VAL 68 9.151 -7.744 -3.436 1185 2HG1 VAL 68 HG12 VAL 68 9.844 -7.949 -5.045 1186 3HG1 VAL 68 HG13 VAL 68 8.151 -7.490 -4.866 1187 1HG2 VAL 68 HG21 VAL 68 8.795 -4.039 -3.752 1188 2HG2 VAL 68 HG22 VAL 68 8.503 -5.399 -2.668 1189 3HG2 VAL 68 HG23 VAL 68 7.541 -5.219 -4.135 1190 H LEU 69 HN LEU 69 11.902 -5.523 -6.240 1191 HA LEU 69 HA LEU 69 12.648 -8.262 -6.537 1192 1HB LEU 69 HB2 LEU 69 13.283 -5.876 -8.269 1193 2HB LEU 69 HB1 LEU 69 13.556 -7.548 -8.721 1194 HG LEU 69 HG LEU 69 10.865 -6.278 -8.193 1195 1HD1 LEU 69 HD11 LEU 69 12.137 -7.217 -10.760 1196 2HD1 LEU 69 HD12 LEU 69 11.904 -5.535 -10.278 1197 3HD1 LEU 69 HD13 LEU 69 10.507 -6.568 -10.583 1198 1HD2 LEU 69 HD21 LEU 69 11.566 -9.066 -9.111 1199 2HD2 LEU 69 HD22 LEU 69 9.938 -8.395 -8.997 1200 3HD2 LEU 69 HD23 LEU 69 10.900 -8.629 -7.537 1201 H GLU 70 HN GLU 70 14.234 -5.600 -5.163 1202 HA GLU 70 HA GLU 70 16.825 -6.994 -5.389 1203 1HB GLU 70 HB2 GLU 70 16.550 -4.668 -6.461 1204 2HB GLU 70 HB1 GLU 70 16.502 -4.054 -4.816 1205 1HG GLU 70 HG2 GLU 70 18.718 -3.815 -5.687 1206 2HG GLU 70 HG1 GLU 70 18.728 -5.039 -4.417 1207 H HIS 71 HN HIS 71 14.520 -7.160 -3.438 1208 HA HIS 71 HA HIS 71 15.513 -6.002 -0.979 1209 1HB HIS 71 HB2 HIS 71 13.057 -6.290 -1.639 1210 2HB HIS 71 HB1 HIS 71 13.259 -7.994 -1.254 1211 HD1 HIS 71 HD1 HIS 71 12.599 -8.574 1.055 1212 HD2 HIS 71 HD2 HIS 71 13.823 -4.613 0.749 1213 HE1 HIS 71 HE1 HIS 71 12.232 -7.576 3.335 1214 HE2 HIS 71 HE2 HIS 71 13.048 -5.200 3.149 1215 H HIS 72 HN HIS 72 16.552 -8.551 -2.665 1216 HA HIS 72 HA HIS 72 16.598 -10.558 -0.618 1217 1HB HIS 72 HB2 HIS 72 18.041 -11.838 -2.199 1218 2HB HIS 72 HB1 HIS 72 16.501 -11.344 -2.878 1219 HD1 HIS 72 HD1 HIS 72 18.210 -12.043 -5.030 1220 HD2 HIS 72 HD2 HIS 72 18.656 -8.316 -3.228 1221 HE1 HIS 72 HE1 HIS 72 19.429 -10.609 -6.706 1222 HE2 HIS 72 HE2 HIS 72 19.565 -8.319 -5.644 1223 H HIS 73 HN HIS 73 17.571 -9.191 1.041 1224 HA HIS 73 HA HIS 73 20.491 -9.007 0.773 1225 1HB HIS 73 HB2 HIS 73 18.564 -7.730 2.701 1226 2HB HIS 73 HB1 HIS 73 20.287 -7.802 3.040 1227 HD1 HIS 73 HD1 HIS 73 21.866 -6.487 1.357 1228 HD2 HIS 73 HD2 HIS 73 17.789 -5.727 0.998 1229 HE1 HIS 73 HE1 HIS 73 21.682 -4.348 0.042 1230 HE2 HIS 73 HE2 HIS 73 19.222 -3.800 0.037 1231 H HIS 74 HN HIS 74 18.486 -9.561 3.636 1232 HA HIS 74 HA HIS 74 18.668 -11.030 5.359 1233 1HB HIS 74 HB2 HIS 74 19.582 -12.920 3.174 1234 2HB HIS 74 HB1 HIS 74 19.084 -13.403 4.792 1235 HD1 HIS 74 HD1 HIS 74 17.814 -13.102 1.476 1236 HD2 HIS 74 HD2 HIS 74 16.251 -12.504 5.285 1237 HE1 HIS 74 HE1 HIS 74 15.313 -13.171 1.204 1238 HE2 HIS 74 HE2 HIS 74 14.398 -12.590 3.481 1239 H HIS 75 HN HIS 75 20.971 -9.378 4.586 1240 HA HIS 75 HA HIS 75 23.039 -10.741 6.096 1241 1HB HIS 75 HB2 HIS 75 23.433 -11.410 3.728 1242 2HB HIS 75 HB1 HIS 75 23.533 -9.711 3.287 1243 HD1 HIS 75 HD1 HIS 75 25.755 -8.520 3.699 1244 HD2 HIS 75 HD2 HIS 75 25.644 -12.389 5.213 1245 HE1 HIS 75 HE1 HIS 75 28.126 -9.071 4.320 1246 HE2 HIS 75 HE2 HIS 75 28.051 -11.452 5.147 1247 H HIS 76 HN HIS 76 24.496 -9.307 7.041 1248 HA HIS 76 HA HIS 76 23.907 -6.450 6.680 1249 1HB HIS 76 HB2 HIS 76 23.691 -7.277 8.986 1250 2HB HIS 76 HB1 HIS 76 25.345 -7.876 8.935 1251 HD1 HIS 76 HD1 HIS 76 27.183 -6.248 9.500 1252 HD2 HIS 76 HD2 HIS 76 23.492 -4.400 9.009 1253 HE1 HIS 76 HE1 HIS 76 27.507 -3.879 10.269 1254 HE2 HIS 76 HE2 HIS 76 25.331 -2.727 9.734 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -8.321 -18.135 -6.426 2 2H MET 1 HT2 MET 1 -7.223 -18.006 -7.708 3 3H MET 1 HT3 MET 1 -6.679 -18.486 -6.175 4 HA MET 1 HA MET 1 -8.418 -19.975 -8.045 5 1HB MET 1 HB2 MET 1 -6.031 -20.098 -8.527 6 2HB MET 1 HB1 MET 1 -5.709 -20.616 -6.876 7 1HG MET 1 HG2 MET 1 -6.850 -22.680 -7.223 8 2HG MET 1 HG1 MET 1 -7.442 -22.153 -8.796 9 1HE MET 1 HE1 MET 1 -4.991 -20.793 -10.148 10 2HE MET 1 HE2 MET 1 -5.973 -22.004 -10.973 11 3HE MET 1 HE3 MET 1 -4.215 -22.145 -10.970 12 HA PRO 2 HA PRO 2 -8.562 -22.236 -3.646 13 1HB PRO 2 HB2 PRO 2 -8.561 -20.292 -1.661 14 2HB PRO 2 HB1 PRO 2 -7.219 -21.383 -2.016 15 1HG PRO 2 HG2 PRO 2 -7.650 -18.559 -2.891 16 2HG PRO 2 HG1 PRO 2 -6.155 -19.355 -2.364 17 1HD PRO 2 HD2 PRO 2 -6.621 -18.910 -4.949 18 2HD PRO 2 HD1 PRO 2 -5.852 -20.419 -4.412 19 H ILE 3 HN ILE 3 -10.314 -21.635 -1.789 20 HA ILE 3 HA ILE 3 -12.743 -21.430 -3.060 21 HB ILE 3 HB ILE 3 -12.651 -22.324 -0.845 22 1HG1 ILE 3 HG12 ILE 3 -14.269 -19.767 -0.810 23 2HG1 ILE 3 HG11 ILE 3 -14.773 -21.281 -1.552 24 1HG2 ILE 3 HG21 ILE 3 -10.844 -21.005 0.074 25 2HG2 ILE 3 HG22 ILE 3 -12.246 -20.944 1.143 26 3HG2 ILE 3 HG23 ILE 3 -11.872 -19.572 0.098 27 1HD1 ILE 3 HD11 ILE 3 -15.831 -20.967 0.604 28 2HD1 ILE 3 HD12 ILE 3 -14.250 -20.837 1.376 29 3HD1 ILE 3 HD13 ILE 3 -14.748 -22.359 0.636 30 H VAL 4 HN VAL 4 -13.588 -19.857 -4.200 31 HA VAL 4 HA VAL 4 -12.811 -17.104 -3.603 32 HB VAL 4 HB VAL 4 -12.214 -17.780 -5.823 33 1HG1 VAL 4 HG11 VAL 4 -13.857 -18.496 -7.491 34 2HG1 VAL 4 HG12 VAL 4 -15.109 -18.496 -6.248 35 3HG1 VAL 4 HG13 VAL 4 -13.756 -19.622 -6.137 36 1HG2 VAL 4 HG21 VAL 4 -14.615 -15.960 -5.878 37 2HG2 VAL 4 HG22 VAL 4 -13.430 -16.123 -7.174 38 3HG2 VAL 4 HG23 VAL 4 -12.938 -15.485 -5.605 39 H SER 5 HN SER 5 -14.198 -15.998 -2.436 40 HA SER 5 HA SER 5 -17.065 -16.501 -2.656 41 1HB SER 5 HB2 SER 5 -17.143 -14.812 -0.755 42 2HB SER 5 HB1 SER 5 -16.280 -16.310 -0.408 43 HG SER 5 HG SER 5 -14.946 -14.712 0.273 44 H LYS 6 HN LYS 6 -14.955 -14.886 -4.406 45 HA LYS 6 HA LYS 6 -14.948 -13.148 -5.845 46 1HB LYS 6 HB2 LYS 6 -17.901 -12.983 -5.209 47 2HB LYS 6 HB1 LYS 6 -17.097 -12.122 -6.514 48 1HG LYS 6 HG2 LYS 6 -16.394 -14.372 -7.407 49 2HG LYS 6 HG1 LYS 6 -17.487 -15.086 -6.225 50 1HD LYS 6 HD2 LYS 6 -18.355 -13.051 -8.273 51 2HD LYS 6 HD1 LYS 6 -18.423 -14.789 -8.550 52 1HE LYS 6 HE2 LYS 6 -20.589 -14.185 -7.859 53 2HE LYS 6 HE1 LYS 6 -19.841 -14.920 -6.445 54 1HZ LYS 6 HZ1 LYS 6 -19.624 -12.871 -5.403 55 2HZ LYS 6 HZ2 LYS 6 -21.141 -12.757 -6.142 56 3HZ LYS 6 HZ3 LYS 6 -19.800 -11.993 -6.837 57 H TYR 7 HN TYR 7 -14.895 -12.896 -2.793 58 HA TYR 7 HA TYR 7 -14.313 -11.320 -1.297 59 1HB TYR 7 HB2 TYR 7 -14.226 -9.511 -3.714 60 2HB TYR 7 HB1 TYR 7 -13.724 -9.023 -2.101 61 HD1 TYR 7 HD1 TYR 7 -12.008 -10.784 -0.986 62 HD2 TYR 7 HD2 TYR 7 -12.561 -10.153 -5.158 63 HE1 TYR 7 HE1 TYR 7 -9.751 -11.665 -1.415 64 HE2 TYR 7 HE2 TYR 7 -10.309 -11.034 -5.599 65 HH TYR 7 HH TYR 7 -8.163 -11.285 -4.388 66 H SER 8 HN SER 8 -15.577 -10.510 0.205 67 HA SER 8 HA SER 8 -18.211 -9.552 -0.414 68 1HB SER 8 HB2 SER 8 -16.732 -9.369 2.222 69 2HB SER 8 HB1 SER 8 -18.477 -9.340 1.968 70 HG SER 8 HG SER 8 -18.498 -11.436 1.919 71 H ASN 9 HN ASN 9 -18.406 -7.588 -1.342 72 HA ASN 9 HA ASN 9 -16.527 -5.571 -1.432 73 1HB ASN 9 HB2 ASN 9 -18.505 -5.611 -2.887 74 2HB ASN 9 HB1 ASN 9 -19.537 -5.256 -1.505 75 1HD2 ASN 9 HD21 ASN 9 -19.631 -3.182 -0.702 76 2HD2 ASN 9 HD22 ASN 9 -18.900 -1.825 -1.500 77 H GLU 10 HN GLU 10 -19.157 -6.001 0.880 78 HA GLU 10 HA GLU 10 -18.819 -3.679 2.377 79 1HB GLU 10 HB2 GLU 10 -20.737 -5.208 2.594 80 2HB GLU 10 HB1 GLU 10 -19.688 -6.411 3.328 81 1HG GLU 10 HG2 GLU 10 -19.258 -4.881 5.192 82 2HG GLU 10 HG1 GLU 10 -20.353 -3.705 4.461 83 H ARG 11 HN ARG 11 -17.258 -6.842 2.686 84 HA ARG 11 HA ARG 11 -15.837 -6.235 5.052 85 1HB ARG 11 HB2 ARG 11 -16.215 -8.551 4.337 86 2HB ARG 11 HB1 ARG 11 -15.209 -8.286 2.917 87 1HG ARG 11 HG2 ARG 11 -13.264 -8.019 4.239 88 2HG ARG 11 HG1 ARG 11 -14.206 -7.977 5.729 89 1HD ARG 11 HD2 ARG 11 -14.953 -10.343 5.103 90 2HD ARG 11 HD1 ARG 11 -13.627 -10.313 3.932 91 HE ARG 11 HE ARG 11 -12.820 -9.534 6.576 92 1HH1 ARG 11 HH11 ARG 11 -13.403 -12.330 4.525 93 2HH1 ARG 11 HH12 ARG 11 -12.305 -13.346 5.414 94 1HH2 ARG 11 HH21 ARG 11 -11.420 -10.874 7.739 95 2HH2 ARG 11 HH22 ARG 11 -11.178 -12.525 7.224 96 H VAL 12 HN VAL 12 -14.931 -6.136 1.618 97 HA VAL 12 HA VAL 12 -12.283 -5.263 1.947 98 HB VAL 12 HB VAL 12 -14.157 -4.537 -0.314 99 1HG1 VAL 12 HG11 VAL 12 -12.130 -3.192 -0.294 100 2HG1 VAL 12 HG12 VAL 12 -12.111 -4.326 -1.644 101 3HG1 VAL 12 HG13 VAL 12 -11.146 -4.652 -0.206 102 1HG2 VAL 12 HG21 VAL 12 -14.106 -6.943 -0.003 103 2HG2 VAL 12 HG22 VAL 12 -12.342 -6.926 0.000 104 3HG2 VAL 12 HG23 VAL 12 -13.226 -6.501 -1.467 105 H GLU 13 HN GLU 13 -15.292 -3.469 1.568 106 HA GLU 13 HA GLU 13 -14.336 -0.862 1.681 107 1HB GLU 13 HB2 GLU 13 -16.642 -1.510 1.116 108 2HB GLU 13 HB1 GLU 13 -16.915 -1.999 2.779 109 1HG GLU 13 HG2 GLU 13 -16.571 0.331 3.491 110 2HG GLU 13 HG1 GLU 13 -16.388 0.795 1.797 111 H LYS 14 HN LYS 14 -15.218 -3.085 4.283 112 HA LYS 14 HA LYS 14 -14.795 -1.298 6.421 113 1HB LYS 14 HB2 LYS 14 -16.085 -3.343 6.705 114 2HB LYS 14 HB1 LYS 14 -14.663 -4.317 6.353 115 1HG LYS 14 HG2 LYS 14 -13.571 -3.334 8.357 116 2HG LYS 14 HG1 LYS 14 -15.097 -2.537 8.737 117 1HD LYS 14 HD2 LYS 14 -16.197 -4.711 8.894 118 2HD LYS 14 HD1 LYS 14 -14.675 -5.513 8.490 119 1HE LYS 14 HE2 LYS 14 -15.123 -3.746 10.890 120 2HE LYS 14 HE1 LYS 14 -15.146 -5.509 10.912 121 1HZ LYS 14 HZ1 LYS 14 -13.008 -4.394 11.591 122 2HZ LYS 14 HZ2 LYS 14 -12.787 -3.973 9.964 123 3HZ LYS 14 HZ3 LYS 14 -12.873 -5.611 10.422 124 H ILE 15 HN ILE 15 -12.690 -3.790 4.989 125 HA ILE 15 HA ILE 15 -10.524 -3.511 6.721 126 HB ILE 15 HB ILE 15 -10.465 -4.246 3.787 127 1HG1 ILE 15 HG12 ILE 15 -10.533 -6.004 6.253 128 2HG1 ILE 15 HG11 ILE 15 -11.914 -5.682 5.209 129 1HG2 ILE 15 HG21 ILE 15 -8.398 -4.671 5.947 130 2HG2 ILE 15 HG22 ILE 15 -8.256 -3.600 4.552 131 3HG2 ILE 15 HG23 ILE 15 -8.325 -5.347 4.320 132 1HD1 ILE 15 HD11 ILE 15 -9.376 -7.091 4.421 133 2HD1 ILE 15 HD12 ILE 15 -10.723 -6.729 3.341 134 3HD1 ILE 15 HD13 ILE 15 -10.952 -7.834 4.697 135 H ILE 16 HN ILE 16 -11.211 -1.819 3.673 136 HA ILE 16 HA ILE 16 -8.903 -0.219 3.624 137 HB ILE 16 HB ILE 16 -11.661 0.432 2.564 138 1HG1 ILE 16 HG12 ILE 16 -9.238 -0.732 1.172 139 2HG1 ILE 16 HG11 ILE 16 -10.671 -1.639 1.644 140 1HG2 ILE 16 HG21 ILE 16 -10.335 2.449 2.789 141 2HG2 ILE 16 HG22 ILE 16 -10.497 2.021 1.085 142 3HG2 ILE 16 HG23 ILE 16 -8.991 1.687 1.939 143 1HD1 ILE 16 HD11 ILE 16 -10.691 -1.100 -0.725 144 2HD1 ILE 16 HD12 ILE 16 -10.595 0.619 -0.343 145 3HD1 ILE 16 HD13 ILE 16 -12.022 -0.309 0.119 146 H GLN 17 HN GLN 17 -12.042 0.235 5.180 147 HA GLN 17 HA GLN 17 -11.579 2.853 6.131 148 1HB GLN 17 HB2 GLN 17 -13.816 1.844 6.016 149 2HB GLN 17 HB1 GLN 17 -13.367 0.690 7.261 150 1HG GLN 17 HG2 GLN 17 -14.751 2.532 8.107 151 2HG GLN 17 HG1 GLN 17 -13.176 2.440 8.893 152 1HE2 GLN 17 HE21 GLN 17 -11.708 4.081 8.611 153 2HE2 GLN 17 HE22 GLN 17 -12.117 5.585 7.855 154 H ASP 18 HN ASP 18 -11.119 -0.336 7.650 155 HA ASP 18 HA ASP 18 -10.182 0.548 10.131 156 1HB ASP 18 HB2 ASP 18 -9.622 -1.967 8.565 157 2HB ASP 18 HB1 ASP 18 -8.912 -1.687 10.150 158 H LEU 19 HN LEU 19 -8.466 0.031 7.098 159 HA LEU 19 HA LEU 19 -5.870 0.587 8.060 160 1HB LEU 19 HB2 LEU 19 -7.027 1.008 5.299 161 2HB LEU 19 HB1 LEU 19 -5.321 1.067 5.692 162 HG LEU 19 HG LEU 19 -7.080 -1.370 5.967 163 1HD1 LEU 19 HD11 LEU 19 -5.830 -2.224 4.051 164 2HD1 LEU 19 HD12 LEU 19 -4.975 -0.687 3.918 165 3HD1 LEU 19 HD13 LEU 19 -6.715 -0.756 3.636 166 1HD2 LEU 19 HD21 LEU 19 -4.106 -1.003 6.316 167 2HD2 LEU 19 HD22 LEU 19 -4.954 -2.550 6.327 168 3HD2 LEU 19 HD23 LEU 19 -5.273 -1.359 7.589 169 H LEU 20 HN LEU 20 -8.373 2.660 6.641 170 HA LEU 20 HA LEU 20 -6.911 5.067 6.685 171 1HB LEU 20 HB2 LEU 20 -9.889 4.606 6.880 172 2HB LEU 20 HB1 LEU 20 -9.144 6.167 6.604 173 HG LEU 20 HG LEU 20 -8.959 3.797 4.741 174 1HD1 LEU 20 HD11 LEU 20 -11.205 4.746 4.825 175 2HD1 LEU 20 HD12 LEU 20 -10.420 5.084 3.283 176 3HD1 LEU 20 HD13 LEU 20 -10.543 6.350 4.505 177 1HD2 LEU 20 HD21 LEU 20 -7.956 5.371 3.179 178 2HD2 LEU 20 HD22 LEU 20 -6.988 5.243 4.648 179 3HD2 LEU 20 HD23 LEU 20 -8.029 6.644 4.395 180 H ASP 21 HN ASP 21 -8.926 3.469 9.091 181 HA ASP 21 HA ASP 21 -9.039 5.512 10.996 182 1HB ASP 21 HB2 ASP 21 -9.226 2.529 11.149 183 2HB ASP 21 HB1 ASP 21 -9.105 3.453 12.641 184 H VAL 22 HN VAL 22 -6.609 2.974 10.511 185 HA VAL 22 HA VAL 22 -4.974 3.632 12.703 186 HB VAL 22 HB VAL 22 -4.143 2.444 10.048 187 1HG1 VAL 22 HG11 VAL 22 -2.720 2.458 12.711 188 2HG1 VAL 22 HG12 VAL 22 -2.226 3.332 11.261 189 3HG1 VAL 22 HG13 VAL 22 -2.204 1.569 11.277 190 1HG2 VAL 22 HG21 VAL 22 -4.859 1.084 12.644 191 2HG2 VAL 22 HG22 VAL 22 -4.340 0.292 11.155 192 3HG2 VAL 22 HG23 VAL 22 -5.879 1.151 11.208 193 H LEU 23 HN LEU 23 -5.018 4.811 9.372 194 HA LEU 23 HA LEU 23 -2.699 6.382 9.484 195 1HB LEU 23 HB2 LEU 23 -5.206 6.838 7.861 196 2HB LEU 23 HB1 LEU 23 -3.655 7.599 7.566 197 HG LEU 23 HG LEU 23 -4.225 4.643 7.349 198 1HD1 LEU 23 HD11 LEU 23 -3.905 4.983 4.955 199 2HD1 LEU 23 HD12 LEU 23 -3.719 6.716 5.223 200 3HD1 LEU 23 HD13 LEU 23 -5.262 5.931 5.563 201 1HD2 LEU 23 HD21 LEU 23 -1.972 4.515 6.381 202 2HD2 LEU 23 HD22 LEU 23 -1.942 5.048 8.062 203 3HD2 LEU 23 HD23 LEU 23 -1.723 6.220 6.761 204 H VAL 24 HN VAL 24 -6.090 7.228 10.143 205 HA VAL 24 HA VAL 24 -5.564 9.927 10.863 206 HB VAL 24 HB VAL 24 -7.877 8.167 11.715 207 1HG1 VAL 24 HG11 VAL 24 -7.719 10.131 13.114 208 2HG1 VAL 24 HG12 VAL 24 -9.082 10.302 12.007 209 3HG1 VAL 24 HG13 VAL 24 -7.578 11.168 11.695 210 1HG2 VAL 24 HG21 VAL 24 -7.616 10.035 9.358 211 2HG2 VAL 24 HG22 VAL 24 -9.087 9.191 9.842 212 3HG2 VAL 24 HG23 VAL 24 -7.686 8.274 9.290 213 H LYS 25 HN LYS 25 -5.808 6.920 12.672 214 HA LYS 25 HA LYS 25 -5.649 7.835 15.282 215 1HB LYS 25 HB2 LYS 25 -6.112 5.581 15.081 216 2HB LYS 25 HB1 LYS 25 -4.878 5.322 13.863 217 1HG LYS 25 HG2 LYS 25 -3.147 5.367 15.546 218 2HG LYS 25 HG1 LYS 25 -4.332 5.776 16.789 219 1HD LYS 25 HD2 LYS 25 -5.391 3.658 16.607 220 2HD LYS 25 HD1 LYS 25 -4.518 3.275 15.124 221 1HE LYS 25 HE2 LYS 25 -3.109 3.719 17.744 222 2HE LYS 25 HE1 LYS 25 -3.738 2.142 17.272 223 1HZ LYS 25 HZ1 LYS 25 -1.440 2.294 16.675 224 2HZ LYS 25 HZ2 LYS 25 -1.686 3.738 15.822 225 3HZ LYS 25 HZ3 LYS 25 -2.359 2.279 15.251 226 H GLU 26 HN GLU 26 -3.100 7.474 12.904 227 HA GLU 26 HA GLU 26 -1.093 8.137 14.923 228 1HB GLU 26 HB2 GLU 26 -0.817 7.210 12.067 229 2HB GLU 26 HB1 GLU 26 0.536 7.591 13.123 230 1HG GLU 26 HG2 GLU 26 -1.514 5.439 13.593 231 2HG GLU 26 HG1 GLU 26 0.131 5.196 13.011 232 H GLU 27 HN GLU 27 -3.020 9.740 12.703 233 HA GLU 27 HA GLU 27 -2.943 11.745 11.621 234 1HB GLU 27 HB2 GLU 27 -1.387 12.155 14.110 235 2HB GLU 27 HB1 GLU 27 -1.184 13.380 12.864 236 1HG GLU 27 HG2 GLU 27 -3.853 12.496 13.935 237 2HG GLU 27 HG1 GLU 27 -2.946 13.881 14.543 238 H VAL 28 HN VAL 28 -1.558 9.891 10.331 239 HA VAL 28 HA VAL 28 1.193 10.409 9.966 240 HB VAL 28 HB VAL 28 0.973 8.992 7.913 241 1HG1 VAL 28 HG11 VAL 28 0.435 6.936 9.133 242 2HG1 VAL 28 HG12 VAL 28 -0.233 7.900 10.449 243 3HG1 VAL 28 HG13 VAL 28 1.487 8.000 10.066 244 1HG2 VAL 28 HG21 VAL 28 -1.915 8.792 8.766 245 2HG2 VAL 28 HG22 VAL 28 -1.142 7.860 7.483 246 3HG2 VAL 28 HG23 VAL 28 -1.327 9.607 7.318 247 H THR 29 HN THR 29 2.066 12.126 9.085 248 HA THR 29 HA THR 29 0.846 13.821 7.169 249 HB THR 29 HB THR 29 2.733 14.579 8.552 250 HG1 THR 29 HG1 THR 29 3.853 14.587 5.961 251 1HG2 THR 29 HG21 THR 29 3.978 12.516 8.728 252 2HG2 THR 29 HG22 THR 29 5.021 13.789 8.091 253 3HG2 THR 29 HG23 THR 29 4.359 12.565 7.006 254 HA PRO 30 HA PRO 30 0.958 11.647 3.294 255 1HB PRO 30 HB2 PRO 30 2.801 13.847 2.427 256 2HB PRO 30 HB1 PRO 30 1.418 13.145 1.580 257 1HG PRO 30 HG2 PRO 30 1.201 15.475 2.869 258 2HG PRO 30 HG1 PRO 30 -0.125 14.300 2.855 259 1HD PRO 30 HD2 PRO 30 1.684 15.069 5.061 260 2HD PRO 30 HD1 PRO 30 0.055 14.368 5.127 261 H ASP 31 HN ASP 31 4.104 13.032 4.227 262 HA ASP 31 HA ASP 31 5.799 11.282 2.871 263 1HB ASP 31 HB2 ASP 31 6.561 12.178 5.617 264 2HB ASP 31 HB1 ASP 31 7.515 12.177 4.138 265 H LEU 32 HN LEU 32 4.722 11.157 6.236 266 HA LEU 32 HA LEU 32 5.961 8.719 6.900 267 1HB LEU 32 HB2 LEU 32 5.251 10.407 8.541 268 2HB LEU 32 HB1 LEU 32 3.574 10.091 8.148 269 HG LEU 32 HG LEU 32 3.828 7.790 9.026 270 1HD1 LEU 32 HD11 LEU 32 6.554 8.756 9.876 271 2HD1 LEU 32 HD12 LEU 32 6.227 7.532 8.649 272 3HD1 LEU 32 HD13 LEU 32 5.806 7.226 10.334 273 1HD2 LEU 32 HD21 LEU 32 3.898 8.429 11.378 274 2HD2 LEU 32 HD22 LEU 32 2.968 9.593 10.435 275 3HD2 LEU 32 HD23 LEU 32 4.614 9.982 10.944 276 H ALA 33 HN ALA 33 2.695 9.524 5.838 277 HA ALA 33 HA ALA 33 1.489 7.030 6.168 278 1HB ALA 33 HB1 ALA 33 -0.175 7.808 4.571 279 2HB ALA 33 HB2 ALA 33 0.905 9.103 4.055 280 3HB ALA 33 HB3 ALA 33 0.256 9.097 5.696 281 H LEU 34 HN LEU 34 2.884 8.419 3.190 282 HA LEU 34 HA LEU 34 2.497 6.073 1.663 283 1HB LEU 34 HB2 LEU 34 4.372 8.393 1.215 284 2HB LEU 34 HB1 LEU 34 4.008 7.154 0.028 285 HG LEU 34 HG LEU 34 1.984 9.069 1.201 286 1HD1 LEU 34 HD11 LEU 34 3.342 9.043 -1.491 287 2HD1 LEU 34 HD12 LEU 34 3.562 10.242 -0.216 288 3HD1 LEU 34 HD13 LEU 34 2.005 10.095 -1.031 289 1HD2 LEU 34 HD21 LEU 34 1.756 7.066 -1.048 290 2HD2 LEU 34 HD22 LEU 34 0.508 8.209 -0.551 291 3HD2 LEU 34 HD23 LEU 34 1.013 6.921 0.545 292 H MET 35 HN MET 35 5.157 7.222 3.636 293 HA MET 35 HA MET 35 7.108 5.393 2.737 294 1HB MET 35 HB2 MET 35 7.693 7.374 4.043 295 2HB MET 35 HB1 MET 35 6.825 6.734 5.431 296 1HG MET 35 HG2 MET 35 8.398 4.945 5.667 297 2HG MET 35 HG1 MET 35 9.205 5.402 4.169 298 1HE MET 35 HE1 MET 35 8.345 6.587 7.847 299 2HE MET 35 HE2 MET 35 7.803 7.912 6.818 300 3HE MET 35 HE3 MET 35 9.185 8.137 7.888 301 H CYS 36 HN CYS 36 4.868 5.243 5.513 302 HA CYS 36 HA CYS 36 5.665 2.640 6.303 303 1HB CYS 36 HB2 CYS 36 3.134 4.193 6.847 304 2HB CYS 36 HB1 CYS 36 3.514 2.646 7.597 305 HG CYS 36 HG CYS 36 5.361 3.488 9.282 306 H LEU 37 HN LEU 37 3.018 3.824 4.260 307 HA LEU 37 HA LEU 37 1.766 1.348 3.832 308 1HB LEU 37 HB2 LEU 37 1.889 3.808 2.090 309 2HB LEU 37 HB1 LEU 37 0.867 2.426 1.747 310 HG LEU 37 HG LEU 37 0.680 4.130 4.233 311 1HD1 LEU 37 HD11 LEU 37 0.036 5.360 2.221 312 2HD1 LEU 37 HD12 LEU 37 -1.356 5.022 3.249 313 3HD1 LEU 37 HD13 LEU 37 -1.085 4.068 1.790 314 1HD2 LEU 37 HD21 LEU 37 -0.057 1.856 4.626 315 2HD2 LEU 37 HD22 LEU 37 -1.067 1.906 3.180 316 3HD2 LEU 37 HD23 LEU 37 -1.449 2.936 4.560 317 H GLY 38 HN GLY 38 4.295 3.014 1.967 318 1HA GLY 38 HA2 GLY 38 4.544 1.162 -0.105 319 2HA GLY 38 HA1 GLY 38 5.831 2.213 0.470 320 H ASN 39 HN ASN 39 6.241 1.254 3.020 321 HA ASN 39 HA ASN 39 7.818 -1.050 2.479 322 1HB ASN 39 HB2 ASN 39 7.168 0.471 4.986 323 2HB ASN 39 HB1 ASN 39 8.045 -1.053 5.069 324 1HD2 ASN 39 HD21 ASN 39 8.165 2.278 4.116 325 2HD2 ASN 39 HD22 ASN 39 9.866 2.328 3.797 326 H ALA 40 HN ALA 40 4.707 -0.553 4.062 327 HA ALA 40 HA ALA 40 4.335 -3.146 5.057 328 1HB ALA 40 HB1 ALA 40 1.958 -2.612 5.097 329 2HB ALA 40 HB2 ALA 40 2.242 -1.225 4.043 330 3HB ALA 40 HB3 ALA 40 2.915 -1.247 5.673 331 H VAL 41 HN VAL 41 3.327 -1.718 1.953 332 HA VAL 41 HA VAL 41 2.220 -4.057 0.861 333 HB VAL 41 HB VAL 41 3.504 -1.743 -0.604 334 1HG1 VAL 41 HG11 VAL 41 1.596 -3.865 -1.579 335 2HG1 VAL 41 HG12 VAL 41 3.291 -3.693 -2.038 336 3HG1 VAL 41 HG13 VAL 41 2.122 -2.457 -2.503 337 1HG2 VAL 41 HG21 VAL 41 0.616 -2.235 0.112 338 2HG2 VAL 41 HG22 VAL 41 1.234 -0.884 -0.837 339 3HG2 VAL 41 HG23 VAL 41 1.675 -1.043 0.865 340 H THR 42 HN THR 42 5.503 -2.741 0.742 341 HA THR 42 HA THR 42 6.654 -4.565 -1.012 342 HB THR 42 HB THR 42 7.915 -3.211 1.382 343 HG1 THR 42 HG1 THR 42 7.136 -1.733 -0.160 344 1HG2 THR 42 HG21 THR 42 10.056 -3.603 0.246 345 2HG2 THR 42 HG22 THR 42 9.221 -4.527 -1.003 346 3HG2 THR 42 HG23 THR 42 9.257 -5.121 0.657 347 H ASN 43 HN ASN 43 6.219 -4.788 2.513 348 HA ASN 43 HA ASN 43 7.545 -7.273 2.809 349 1HB ASN 43 HB2 ASN 43 7.074 -5.718 4.701 350 2HB ASN 43 HB1 ASN 43 5.363 -6.116 4.566 351 1HD2 ASN 43 HD21 ASN 43 5.237 -6.979 6.625 352 2HD2 ASN 43 HD22 ASN 43 5.961 -8.491 7.050 353 H ILE 44 HN ILE 44 4.202 -6.393 2.131 354 HA ILE 44 HA ILE 44 3.065 -8.954 2.431 355 HB ILE 44 HB ILE 44 2.202 -6.644 0.681 356 1HG1 ILE 44 HG12 ILE 44 2.199 -6.152 3.083 357 2HG1 ILE 44 HG11 ILE 44 0.556 -6.233 2.458 358 1HG2 ILE 44 HG21 ILE 44 0.685 -9.147 1.412 359 2HG2 ILE 44 HG22 ILE 44 1.261 -8.701 -0.194 360 3HG2 ILE 44 HG23 ILE 44 0.004 -7.743 0.587 361 1HD1 ILE 44 HD11 ILE 44 1.972 -8.387 4.008 362 2HD1 ILE 44 HD12 ILE 44 0.330 -8.488 3.372 363 3HD1 ILE 44 HD13 ILE 44 0.720 -7.305 4.620 364 H ILE 45 HN ILE 45 4.304 -7.281 -0.460 365 HA ILE 45 HA ILE 45 3.780 -9.501 -2.186 366 HB ILE 45 HB ILE 45 5.613 -7.151 -2.695 367 1HG1 ILE 45 HG12 ILE 45 2.685 -7.485 -3.391 368 2HG1 ILE 45 HG11 ILE 45 3.294 -6.466 -2.090 369 1HG2 ILE 45 HG21 ILE 45 4.235 -9.070 -4.571 370 2HG2 ILE 45 HG22 ILE 45 5.967 -8.970 -4.254 371 3HG2 ILE 45 HG23 ILE 45 5.141 -7.641 -5.067 372 1HD1 ILE 45 HD11 ILE 45 2.738 -5.163 -4.063 373 2HD1 ILE 45 HD12 ILE 45 3.875 -6.112 -5.024 374 3HD1 ILE 45 HD13 ILE 45 4.464 -5.081 -3.719 375 H ALA 46 HN ALA 46 6.379 -8.624 -0.091 376 HA ALA 46 HA ALA 46 8.425 -10.178 -1.324 377 1HB ALA 46 HB1 ALA 46 8.897 -8.371 0.281 378 2HB ALA 46 HB2 ALA 46 9.649 -9.897 0.744 379 3HB ALA 46 HB3 ALA 46 8.188 -9.348 1.566 380 H GLN 47 HN GLN 47 5.682 -10.955 0.554 381 HA GLN 47 HA GLN 47 6.675 -13.524 1.450 382 1HB GLN 47 HB2 GLN 47 3.847 -12.455 1.455 383 2HB GLN 47 HB1 GLN 47 4.433 -13.860 2.337 384 1HG GLN 47 HG2 GLN 47 5.865 -12.436 3.682 385 2HG GLN 47 HG1 GLN 47 5.320 -11.021 2.783 386 1HE2 GLN 47 HE21 GLN 47 4.470 -9.987 4.522 387 2HE2 GLN 47 HE22 GLN 47 3.054 -10.533 5.357 388 H VAL 48 HN VAL 48 5.551 -12.238 -1.395 389 HA VAL 48 HA VAL 48 4.355 -14.700 -2.393 390 HB VAL 48 HB VAL 48 4.853 -12.081 -3.832 391 1HG1 VAL 48 HG11 VAL 48 3.206 -12.925 -5.451 392 2HG1 VAL 48 HG12 VAL 48 3.153 -14.457 -4.579 393 3HG1 VAL 48 HG13 VAL 48 4.644 -13.942 -5.370 394 1HG2 VAL 48 HG21 VAL 48 2.344 -13.113 -2.515 395 2HG2 VAL 48 HG22 VAL 48 2.456 -11.659 -3.508 396 3HG2 VAL 48 HG23 VAL 48 3.327 -11.752 -1.977 397 HA PRO 49 HA PRO 49 8.298 -16.307 -3.748 398 1HB PRO 49 HB2 PRO 49 6.549 -17.556 -5.821 399 2HB PRO 49 HB1 PRO 49 7.761 -18.302 -4.771 400 1HG PRO 49 HG2 PRO 49 5.166 -18.596 -4.262 401 2HG PRO 49 HG1 PRO 49 6.331 -18.371 -2.945 402 1HD PRO 49 HD2 PRO 49 4.382 -16.433 -4.105 403 2HD PRO 49 HD1 PRO 49 4.932 -16.615 -2.427 404 H GLU 50 HN GLU 50 9.775 -15.627 -5.189 405 HA GLU 50 HA GLU 50 9.314 -13.368 -6.742 406 1HB GLU 50 HB2 GLU 50 11.578 -15.350 -6.669 407 2HB GLU 50 HB1 GLU 50 11.621 -13.912 -7.684 408 1HG GLU 50 HG2 GLU 50 11.683 -12.475 -5.875 409 2HG GLU 50 HG1 GLU 50 11.014 -13.674 -4.772 410 H SER 51 HN SER 51 8.954 -16.700 -7.576 411 HA SER 51 HA SER 51 9.054 -16.580 -10.365 412 1HB SER 51 HB2 SER 51 8.897 -18.669 -9.040 413 2HB SER 51 HB1 SER 51 7.233 -18.269 -8.629 414 HG SER 51 HG SER 51 7.811 -18.262 -11.342 415 H LYS 52 HN LYS 52 6.526 -15.594 -8.123 416 HA LYS 52 HA LYS 52 4.928 -14.675 -10.422 417 1HB LYS 52 HB2 LYS 52 2.894 -15.148 -9.058 418 2HB LYS 52 HB1 LYS 52 3.803 -16.589 -9.495 419 1HG LYS 52 HG2 LYS 52 4.844 -16.543 -7.235 420 2HG LYS 52 HG1 LYS 52 3.767 -15.210 -6.817 421 1HD LYS 52 HD2 LYS 52 2.887 -17.954 -7.708 422 2HD LYS 52 HD1 LYS 52 2.917 -17.385 -6.039 423 1HE LYS 52 HE2 LYS 52 1.308 -15.639 -6.598 424 2HE LYS 52 HE1 LYS 52 1.291 -16.180 -8.275 425 1HZ LYS 52 HZ1 LYS 52 0.377 -17.736 -5.912 426 2HZ LYS 52 HZ2 LYS 52 0.446 -18.338 -7.493 427 3HZ LYS 52 HZ3 LYS 52 -0.604 -17.060 -7.119 428 H ARG 53 HN ARG 53 6.914 -13.476 -8.420 429 HA ARG 53 HA ARG 53 5.336 -11.631 -6.867 430 1HB ARG 53 HB2 ARG 53 7.473 -12.481 -6.009 431 2HB ARG 53 HB1 ARG 53 8.318 -11.746 -7.364 432 1HG ARG 53 HG2 ARG 53 7.653 -9.533 -6.582 433 2HG ARG 53 HG1 ARG 53 6.800 -10.272 -5.225 434 1HD ARG 53 HD2 ARG 53 9.755 -10.521 -5.767 435 2HD ARG 53 HD1 ARG 53 9.024 -9.417 -4.603 436 HE ARG 53 HE ARG 53 8.124 -11.984 -4.003 437 1HH1 ARG 53 HH11 ARG 53 11.128 -10.172 -4.002 438 2HH1 ARG 53 HH12 ARG 53 11.853 -11.144 -2.765 439 1HH2 ARG 53 HH21 ARG 53 9.061 -13.230 -2.355 440 2HH2 ARG 53 HH22 ARG 53 10.672 -12.883 -1.817 441 H VAL 54 HN VAL 54 7.163 -11.569 -9.862 442 HA VAL 54 HA VAL 54 7.253 -8.754 -10.161 443 HB VAL 54 HB VAL 54 7.340 -10.850 -12.341 444 1HG1 VAL 54 HG11 VAL 54 6.945 -8.571 -13.156 445 2HG1 VAL 54 HG12 VAL 54 8.536 -9.168 -13.630 446 3HG1 VAL 54 HG13 VAL 54 8.384 -8.022 -12.299 447 1HG2 VAL 54 HG21 VAL 54 9.586 -9.639 -10.731 448 2HG2 VAL 54 HG22 VAL 54 9.784 -10.698 -12.127 449 3HG2 VAL 54 HG23 VAL 54 9.029 -11.309 -10.656 450 H ALA 55 HN ALA 55 4.997 -11.249 -11.203 451 HA ALA 55 HA ALA 55 3.360 -9.672 -12.837 452 1HB ALA 55 HB1 ALA 55 1.669 -11.396 -12.535 453 2HB ALA 55 HB2 ALA 55 2.570 -12.060 -11.172 454 3HB ALA 55 HB3 ALA 55 3.257 -12.115 -12.797 455 H VAL 56 HN VAL 56 3.068 -10.416 -9.362 456 HA VAL 56 HA VAL 56 0.636 -8.970 -9.101 457 HB VAL 56 HB VAL 56 0.944 -9.248 -6.646 458 1HG1 VAL 56 HG11 VAL 56 1.300 -11.730 -8.316 459 2HG1 VAL 56 HG12 VAL 56 -0.226 -10.921 -7.960 460 3HG1 VAL 56 HG13 VAL 56 0.694 -11.684 -6.661 461 1HG2 VAL 56 HG21 VAL 56 3.383 -9.176 -6.550 462 2HG2 VAL 56 HG22 VAL 56 3.467 -10.699 -7.433 463 3HG2 VAL 56 HG23 VAL 56 2.758 -10.655 -5.819 464 H VAL 57 HN VAL 57 4.026 -8.137 -8.368 465 HA VAL 57 HA VAL 57 3.353 -5.688 -7.089 466 HB VAL 57 HB VAL 57 5.535 -6.835 -6.771 467 1HG1 VAL 57 HG11 VAL 57 6.160 -5.768 -9.519 468 2HG1 VAL 57 HG12 VAL 57 6.037 -7.465 -9.053 469 3HG1 VAL 57 HG13 VAL 57 7.334 -6.462 -8.401 470 1HG2 VAL 57 HG21 VAL 57 6.887 -4.795 -6.687 471 2HG2 VAL 57 HG22 VAL 57 5.252 -4.526 -6.086 472 3HG2 VAL 57 HG23 VAL 57 5.700 -3.972 -7.700 473 H ASP 58 HN ASP 58 3.935 -6.559 -10.440 474 HA ASP 58 HA ASP 58 4.134 -3.856 -11.376 475 1HB ASP 58 HB2 ASP 58 5.090 -5.849 -12.569 476 2HB ASP 58 HB1 ASP 58 3.444 -6.315 -12.978 477 H ASN 59 HN ASN 59 1.548 -6.243 -11.086 478 HA ASN 59 HA ASN 59 -0.381 -4.634 -12.438 479 1HB ASN 59 HB2 ASN 59 -0.627 -7.045 -10.650 480 2HB ASN 59 HB1 ASN 59 -2.046 -6.189 -11.248 481 1HD2 ASN 59 HD21 ASN 59 -1.274 -8.902 -11.801 482 2HD2 ASN 59 HD22 ASN 59 -1.050 -9.023 -13.510 483 H PHE 60 HN PHE 60 0.585 -5.027 -9.084 484 HA PHE 60 HA PHE 60 -1.387 -3.488 -7.839 485 1HB PHE 60 HB2 PHE 60 0.313 -4.793 -6.604 486 2HB PHE 60 HB1 PHE 60 1.557 -3.674 -7.159 487 HD1 PHE 60 HD2 PHE 60 -1.696 -3.629 -5.329 488 HD2 PHE 60 HD1 PHE 60 2.199 -1.983 -5.781 489 HE1 PHE 60 HE2 PHE 60 -2.078 -2.191 -3.367 490 HE2 PHE 60 HE1 PHE 60 1.825 -0.545 -3.825 491 HZ PHE 60 HZ PHE 60 -0.311 -0.649 -2.615 492 H THR 61 HN THR 61 1.793 -2.518 -9.054 493 HA THR 61 HA THR 61 1.440 0.226 -8.487 494 HB THR 61 HB THR 61 3.452 0.463 -10.043 495 HG1 THR 61 HG1 THR 61 3.697 -2.337 -9.804 496 1HG2 THR 61 HG21 THR 61 4.955 -0.581 -8.379 497 2HG2 THR 61 HG22 THR 61 3.567 -1.399 -7.666 498 3HG2 THR 61 HG23 THR 61 3.669 0.365 -7.628 499 H LYS 62 HN LYS 62 1.020 -1.714 -11.427 500 HA LYS 62 HA LYS 62 0.374 0.301 -13.229 501 1HB LYS 62 HB2 LYS 62 0.615 -2.123 -13.757 502 2HB LYS 62 HB1 LYS 62 -0.952 -2.410 -13.017 503 1HG LYS 62 HG2 LYS 62 -1.989 -0.949 -14.693 504 2HG LYS 62 HG1 LYS 62 -0.413 -0.717 -15.445 505 1HD LYS 62 HD2 LYS 62 -1.822 -3.370 -15.127 506 2HD LYS 62 HD1 LYS 62 -1.774 -2.417 -16.607 507 1HE LYS 62 HE2 LYS 62 -0.097 -4.012 -16.918 508 2HE LYS 62 HE1 LYS 62 0.777 -2.574 -16.397 509 1HZ LYS 62 HZ1 LYS 62 0.086 -4.934 -14.733 510 2HZ LYS 62 HZ2 LYS 62 0.775 -3.512 -14.125 511 3HZ LYS 62 HZ3 LYS 62 1.635 -4.456 -15.231 512 H ALA 63 HN ALA 63 -1.752 -1.417 -10.964 513 HA ALA 63 HA ALA 63 -4.116 -0.036 -11.698 514 1HB ALA 63 HB1 ALA 63 -4.152 -2.223 -10.604 515 2HB ALA 63 HB2 ALA 63 -5.094 -1.034 -9.704 516 3HB ALA 63 HB3 ALA 63 -3.490 -1.501 -9.138 517 H LEU 64 HN LEU 64 -1.668 0.509 -9.217 518 HA LEU 64 HA LEU 64 -2.899 2.515 -7.740 519 1HB LEU 64 HB2 LEU 64 -0.107 1.732 -8.307 520 2HB LEU 64 HB1 LEU 64 -0.336 3.364 -7.716 521 HG LEU 64 HG LEU 64 -1.296 0.878 -6.301 522 1HD1 LEU 64 HD11 LEU 64 1.085 2.648 -5.779 523 2HD1 LEU 64 HD12 LEU 64 1.126 0.975 -6.338 524 3HD1 LEU 64 HD13 LEU 64 0.521 1.352 -4.724 525 1HD2 LEU 64 HD21 LEU 64 -2.658 2.821 -5.797 526 2HD2 LEU 64 HD22 LEU 64 -1.211 3.775 -5.461 527 3HD2 LEU 64 HD23 LEU 64 -1.638 2.419 -4.415 528 H LYS 65 HN LYS 65 -0.641 2.976 -10.471 529 HA LYS 65 HA LYS 65 -0.923 5.770 -10.533 530 1HB LYS 65 HB2 LYS 65 -0.062 3.858 -12.710 531 2HB LYS 65 HB1 LYS 65 0.089 5.609 -12.810 532 1HG LYS 65 HG2 LYS 65 1.530 5.571 -10.808 533 2HG LYS 65 HG1 LYS 65 1.423 3.811 -10.794 534 1HD LYS 65 HD2 LYS 65 2.520 5.447 -13.078 535 2HD LYS 65 HD1 LYS 65 3.504 4.675 -11.834 536 1HE LYS 65 HE2 LYS 65 2.573 2.488 -12.505 537 2HE LYS 65 HE1 LYS 65 1.675 3.290 -13.793 538 1HZ LYS 65 HZ1 LYS 65 3.665 2.380 -14.704 539 2HZ LYS 65 HZ2 LYS 65 4.628 3.110 -13.516 540 3HZ LYS 65 HZ3 LYS 65 3.845 4.070 -14.674 541 H GLN 66 HN GLN 66 -2.719 3.219 -12.138 542 HA GLN 66 HA GLN 66 -4.225 4.833 -13.889 543 1HB GLN 66 HB2 GLN 66 -4.146 2.420 -14.147 544 2HB GLN 66 HB1 GLN 66 -4.895 2.196 -12.573 545 1HG GLN 66 HG2 GLN 66 -6.927 3.305 -13.417 546 2HG GLN 66 HG1 GLN 66 -6.172 3.421 -15.006 547 1HE2 GLN 66 HE21 GLN 66 -5.875 1.562 -16.227 548 2HE2 GLN 66 HE22 GLN 66 -6.726 0.093 -15.876 549 H SER 67 HN SER 67 -4.877 3.677 -10.600 550 HA SER 67 HA SER 67 -7.454 4.899 -10.471 551 1HB SER 67 HB2 SER 67 -5.741 3.827 -8.220 552 2HB SER 67 HB1 SER 67 -7.478 4.130 -8.165 553 HG SER 67 HG SER 67 -6.061 2.141 -9.585 554 H VAL 68 HN VAL 68 -4.330 6.123 -10.149 555 HA VAL 68 HA VAL 68 -5.129 8.312 -8.397 556 HB VAL 68 HB VAL 68 -2.488 7.707 -9.745 557 1HG1 VAL 68 HG11 VAL 68 -3.166 9.964 -7.860 558 2HG1 VAL 68 HG12 VAL 68 -2.788 10.126 -9.574 559 3HG1 VAL 68 HG13 VAL 68 -1.555 9.557 -8.449 560 1HG2 VAL 68 HG21 VAL 68 -1.711 7.326 -7.450 561 2HG2 VAL 68 HG22 VAL 68 -3.027 6.236 -7.888 562 3HG2 VAL 68 HG23 VAL 68 -3.345 7.628 -6.855 563 H LEU 69 HN LEU 69 -4.055 7.819 -11.754 564 HA LEU 69 HA LEU 69 -4.292 10.508 -12.558 565 1HB LEU 69 HB2 LEU 69 -4.559 7.991 -14.206 566 2HB LEU 69 HB1 LEU 69 -4.360 9.607 -14.860 567 HG LEU 69 HG LEU 69 -2.344 8.115 -13.179 568 1HD1 LEU 69 HD11 LEU 69 -1.009 8.098 -15.229 569 2HD1 LEU 69 HD12 LEU 69 -2.345 8.850 -16.102 570 3HD1 LEU 69 HD13 LEU 69 -2.529 7.228 -15.431 571 1HD2 LEU 69 HD21 LEU 69 -2.161 10.828 -14.483 572 2HD2 LEU 69 HD22 LEU 69 -0.849 9.982 -13.663 573 3HD2 LEU 69 HD23 LEU 69 -2.262 10.511 -12.750 574 H GLU 70 HN GLU 70 -6.589 7.833 -12.541 575 HA GLU 70 HA GLU 70 -8.712 9.770 -13.177 576 1HB GLU 70 HB2 GLU 70 -8.582 6.792 -13.637 577 2HB GLU 70 HB1 GLU 70 -10.062 7.727 -13.792 578 1HG GLU 70 HG2 GLU 70 -8.915 9.121 -15.508 579 2HG GLU 70 HG1 GLU 70 -7.555 8.000 -15.428 580 H HIS 71 HN HIS 71 -7.843 9.844 -10.635 581 HA HIS 71 HA HIS 71 -9.286 8.016 -8.958 582 1HB HIS 71 HB2 HIS 71 -7.124 9.212 -8.319 583 2HB HIS 71 HB1 HIS 71 -8.107 10.654 -8.079 584 HD1 HIS 71 HD1 HIS 71 -7.288 7.351 -6.566 585 HD2 HIS 71 HD2 HIS 71 -9.813 10.573 -5.818 586 HE1 HIS 71 HE1 HIS 71 -8.145 7.015 -4.224 587 HE2 HIS 71 HE2 HIS 71 -9.486 9.085 -3.723 588 H HIS 72 HN HIS 72 -11.359 8.345 -9.970 589 HA HIS 72 HA HIS 72 -12.836 10.716 -9.702 590 1HB HIS 72 HB2 HIS 72 -14.848 9.265 -9.922 591 2HB HIS 72 HB1 HIS 72 -13.636 8.959 -11.158 592 HD1 HIS 72 HD1 HIS 72 -15.881 7.210 -9.092 593 HD2 HIS 72 HD2 HIS 72 -11.929 6.582 -10.234 594 HE1 HIS 72 HE1 HIS 72 -15.431 4.765 -8.682 595 HE2 HIS 72 HE2 HIS 72 -13.083 4.378 -9.518 596 H HIS 73 HN HIS 73 -13.112 11.769 -7.897 597 HA HIS 73 HA HIS 73 -13.039 10.361 -5.345 598 1HB HIS 73 HB2 HIS 73 -11.714 12.498 -5.981 599 2HB HIS 73 HB1 HIS 73 -13.232 13.343 -5.727 600 HD1 HIS 73 HD1 HIS 73 -10.308 13.114 -4.055 601 HD2 HIS 73 HD2 HIS 73 -14.185 12.132 -2.895 602 HE1 HIS 73 HE1 HIS 73 -10.301 13.161 -1.539 603 HE2 HIS 73 HE2 HIS 73 -12.708 12.806 -0.878 604 H HIS 74 HN HIS 74 -15.314 11.884 -7.447 605 HA HIS 74 HA HIS 74 -17.293 11.930 -5.268 606 1HB HIS 74 HB2 HIS 74 -18.430 13.768 -6.366 607 2HB HIS 74 HB1 HIS 74 -16.745 14.195 -6.109 608 HD1 HIS 74 HD1 HIS 74 -19.311 13.806 -8.721 609 HD2 HIS 74 HD2 HIS 74 -15.176 14.241 -8.529 610 HE1 HIS 74 HE1 HIS 74 -18.585 14.436 -11.044 611 HE2 HIS 74 HE2 HIS 74 -16.086 14.734 -10.905 612 H HIS 75 HN HIS 75 -19.255 11.040 -5.577 613 HA HIS 75 HA HIS 75 -20.310 10.376 -8.146 614 1HB HIS 75 HB2 HIS 75 -20.338 7.983 -7.999 615 2HB HIS 75 HB1 HIS 75 -18.672 8.485 -7.750 616 HD1 HIS 75 HD1 HIS 75 -21.083 6.227 -6.452 617 HD2 HIS 75 HD2 HIS 75 -18.120 8.615 -4.758 618 HE1 HIS 75 HE1 HIS 75 -20.649 5.260 -4.175 619 HE2 HIS 75 HE2 HIS 75 -18.728 6.596 -3.247 620 H HIS 76 HN HIS 76 -22.324 8.699 -7.537 621 HA HIS 76 HA HIS 76 -23.476 9.702 -5.028 622 1HB HIS 76 HB2 HIS 76 -24.314 10.939 -7.124 623 2HB HIS 76 HB1 HIS 76 -25.125 9.433 -7.540 624 HD1 HIS 76 HD1 HIS 76 -26.308 12.368 -6.606 625 HD2 HIS 76 HD2 HIS 76 -26.346 8.759 -4.529 626 HE1 HIS 76 HE1 HIS 76 -28.200 12.549 -4.956 627 HE2 HIS 76 HE2 HIS 76 -28.118 10.413 -3.619 628 1H MET 1 HT1 MET 1 5.604 15.868 7.604 629 2H MET 1 HT2 MET 1 7.211 15.875 7.083 630 3H MET 1 HT3 MET 1 5.970 15.476 5.997 631 HA MET 1 HA MET 1 6.819 17.713 5.649 632 1HB MET 1 HB2 MET 1 4.507 17.171 5.039 633 2HB MET 1 HB1 MET 1 3.969 17.585 6.659 634 1HG MET 1 HG2 MET 1 4.742 19.904 6.279 635 2HG MET 1 HG1 MET 1 5.151 19.458 4.624 636 1HE MET 1 HE1 MET 1 1.604 18.538 3.176 637 2HE MET 1 HE2 MET 1 2.757 17.444 3.937 638 3HE MET 1 HE3 MET 1 3.326 18.679 2.813 639 HA PRO 2 HA PRO 2 5.894 20.208 9.686 640 1HB PRO 2 HB2 PRO 2 5.261 18.161 11.708 641 2HB PRO 2 HB1 PRO 2 4.433 19.680 11.356 642 1HG PRO 2 HG2 PRO 2 3.339 17.313 10.737 643 2HG PRO 2 HG1 PRO 2 3.118 18.739 9.706 644 1HD PRO 2 HD2 PRO 2 4.972 16.415 9.350 645 2HD PRO 2 HD1 PRO 2 3.976 17.257 8.143 646 H ILE 3 HN ILE 3 7.544 20.797 11.052 647 HA ILE 3 HA ILE 3 9.724 18.851 11.302 648 HB ILE 3 HB ILE 3 11.154 20.769 11.869 649 1HG1 ILE 3 HG12 ILE 3 8.699 22.452 11.323 650 2HG1 ILE 3 HG11 ILE 3 9.396 22.173 12.916 651 1HG2 ILE 3 HG21 ILE 3 11.159 21.817 9.657 652 2HG2 ILE 3 HG22 ILE 3 9.560 21.148 9.339 653 3HG2 ILE 3 HG23 ILE 3 10.939 20.070 9.548 654 1HD1 ILE 3 HD11 ILE 3 11.454 23.284 12.194 655 2HD1 ILE 3 HD12 ILE 3 10.046 24.336 12.057 656 3HD1 ILE 3 HD13 ILE 3 10.727 23.582 10.616 657 H VAL 4 HN VAL 4 7.287 20.360 13.135 658 HA VAL 4 HA VAL 4 8.585 20.066 15.689 659 HB VAL 4 HB VAL 4 6.906 21.808 15.434 660 1HG1 VAL 4 HG11 VAL 4 4.522 21.260 15.162 661 2HG1 VAL 4 HG12 VAL 4 4.957 19.570 14.907 662 3HG1 VAL 4 HG13 VAL 4 5.487 20.800 13.759 663 1HG2 VAL 4 HG21 VAL 4 7.205 20.829 17.650 664 2HG2 VAL 4 HG22 VAL 4 5.954 19.636 17.301 665 3HG2 VAL 4 HG23 VAL 4 5.539 21.347 17.404 666 H SER 5 HN SER 5 6.289 18.258 13.735 667 HA SER 5 HA SER 5 6.077 16.158 15.711 668 1HB SER 5 HB2 SER 5 5.076 16.139 12.854 669 2HB SER 5 HB1 SER 5 4.529 15.121 14.188 670 HG SER 5 HG SER 5 3.065 16.642 14.371 671 H LYS 6 HN LYS 6 8.218 15.483 15.907 672 HA LYS 6 HA LYS 6 9.584 14.524 13.534 673 1HB LYS 6 HB2 LYS 6 11.239 13.845 15.608 674 2HB LYS 6 HB1 LYS 6 11.322 15.331 14.679 675 1HG LYS 6 HG2 LYS 6 11.441 15.904 16.974 676 2HG LYS 6 HG1 LYS 6 9.851 16.394 16.394 677 1HD LYS 6 HD2 LYS 6 8.866 14.390 17.381 678 2HD LYS 6 HD1 LYS 6 10.461 13.873 17.934 679 1HE LYS 6 HE2 LYS 6 9.151 14.932 19.725 680 2HE LYS 6 HE1 LYS 6 10.630 15.819 19.364 681 1HZ LYS 6 HZ1 LYS 6 8.638 17.240 19.666 682 2HZ LYS 6 HZ2 LYS 6 7.962 16.542 18.276 683 3HZ LYS 6 HZ3 LYS 6 9.392 17.449 18.163 684 H TYR 7 HN TYR 7 8.471 12.795 12.885 685 HA TYR 7 HA TYR 7 8.008 10.547 14.629 686 1HB TYR 7 HB2 TYR 7 7.379 9.465 12.338 687 2HB TYR 7 HB1 TYR 7 6.330 10.700 13.027 688 HD1 TYR 7 HD1 TYR 7 8.800 9.983 10.379 689 HD2 TYR 7 HD2 TYR 7 6.075 12.839 11.970 690 HE1 TYR 7 HE1 TYR 7 8.977 11.299 8.308 691 HE2 TYR 7 HE2 TYR 7 6.246 14.160 9.907 692 HH TYR 7 HH TYR 7 7.838 12.963 7.076 693 H SER 8 HN SER 8 9.349 8.899 14.975 694 HA SER 8 HA SER 8 11.776 8.761 13.316 695 1HB SER 8 HB2 SER 8 12.174 9.313 15.687 696 2HB SER 8 HB1 SER 8 11.357 7.827 16.167 697 HG SER 8 HG SER 8 13.789 7.867 15.973 698 H ASN 9 HN ASN 9 12.784 6.426 13.533 699 HA ASN 9 HA ASN 9 11.185 4.675 12.058 700 1HB ASN 9 HB2 ASN 9 12.892 2.948 12.552 701 2HB ASN 9 HB1 ASN 9 13.605 4.471 12.034 702 1HD2 ASN 9 HD21 ASN 9 14.883 5.605 13.418 703 2HD2 ASN 9 HD22 ASN 9 15.384 5.007 14.967 704 H GLU 10 HN GLU 10 11.586 5.057 15.484 705 HA GLU 10 HA GLU 10 10.436 2.824 16.581 706 1HB GLU 10 HB2 GLU 10 11.319 4.938 17.712 707 2HB GLU 10 HB1 GLU 10 9.752 5.657 17.394 708 1HG GLU 10 HG2 GLU 10 10.083 3.130 18.976 709 2HG GLU 10 HG1 GLU 10 10.161 4.727 19.708 710 H ARG 11 HN ARG 11 8.785 5.694 15.316 711 HA ARG 11 HA ARG 11 6.196 4.502 15.743 712 1HB ARG 11 HB2 ARG 11 6.722 6.953 16.088 713 2HB ARG 11 HB1 ARG 11 6.800 7.101 14.336 714 1HG ARG 11 HG2 ARG 11 4.504 6.457 14.117 715 2HG ARG 11 HG1 ARG 11 4.401 6.080 15.838 716 1HD ARG 11 HD2 ARG 11 4.934 8.491 16.289 717 2HD ARG 11 HD1 ARG 11 4.744 8.782 14.560 718 HE ARG 11 HE ARG 11 2.443 7.504 15.262 719 1HH1 ARG 11 HH11 ARG 11 4.089 10.365 16.447 720 2HH1 ARG 11 HH12 ARG 11 2.617 11.150 16.949 721 1HH2 ARG 11 HH21 ARG 11 0.541 8.516 15.930 722 2HH2 ARG 11 HH22 ARG 11 0.602 10.094 16.649 723 H VAL 12 HN VAL 12 8.366 5.149 13.057 724 HA VAL 12 HA VAL 12 6.613 4.745 10.925 725 HB VAL 12 HB VAL 12 9.538 3.980 11.085 726 1HG1 VAL 12 HG11 VAL 12 9.502 4.119 8.629 727 2HG1 VAL 12 HG12 VAL 12 7.758 4.376 8.678 728 3HG1 VAL 12 HG13 VAL 12 8.439 2.847 9.231 729 1HG2 VAL 12 HG21 VAL 12 9.937 6.129 9.993 730 2HG2 VAL 12 HG22 VAL 12 9.132 6.344 11.548 731 3HG2 VAL 12 HG23 VAL 12 8.211 6.484 10.051 732 H GLU 13 HN GLU 13 8.696 2.352 12.556 733 HA GLU 13 HA GLU 13 7.617 0.130 11.169 734 1HB GLU 13 HB2 GLU 13 9.018 0.186 13.850 735 2HB GLU 13 HB1 GLU 13 8.774 -1.232 12.841 736 1HG GLU 13 HG2 GLU 13 10.486 1.162 12.237 737 2HG GLU 13 HG1 GLU 13 11.022 -0.480 12.587 738 H LYS 14 HN LYS 14 6.837 1.704 14.215 739 HA LYS 14 HA LYS 14 4.986 -0.047 15.295 740 1HB LYS 14 HB2 LYS 14 5.713 1.905 16.488 741 2HB LYS 14 HB1 LYS 14 5.065 2.970 15.252 742 1HG LYS 14 HG2 LYS 14 2.792 2.273 15.864 743 2HG LYS 14 HG1 LYS 14 3.468 1.241 17.129 744 1HD LYS 14 HD2 LYS 14 3.903 4.222 16.948 745 2HD LYS 14 HD1 LYS 14 2.670 3.456 17.952 746 1HE LYS 14 HE2 LYS 14 4.280 2.417 19.321 747 2HE LYS 14 HE1 LYS 14 5.578 2.732 18.172 748 1HZ LYS 14 HZ1 LYS 14 4.176 5.038 19.322 749 2HZ LYS 14 HZ2 LYS 14 5.808 4.867 18.869 750 3HZ LYS 14 HZ3 LYS 14 5.254 4.184 20.314 751 H ILE 15 HN ILE 15 4.415 2.543 12.912 752 HA ILE 15 HA ILE 15 1.629 2.075 12.664 753 HB ILE 15 HB ILE 15 3.485 3.360 10.651 754 1HG1 ILE 15 HG12 ILE 15 1.837 4.628 12.848 755 2HG1 ILE 15 HG11 ILE 15 3.580 4.391 12.909 756 1HG2 ILE 15 HG21 ILE 15 1.469 4.495 9.846 757 2HG2 ILE 15 HG22 ILE 15 0.497 3.590 11.007 758 3HG2 ILE 15 HG23 ILE 15 1.324 2.743 9.700 759 1HD1 ILE 15 HD11 ILE 15 2.086 6.118 10.951 760 2HD1 ILE 15 HD12 ILE 15 3.830 5.859 10.968 761 3HD1 ILE 15 HD13 ILE 15 3.047 6.669 12.324 762 H ILE 16 HN ILE 16 4.435 0.941 10.827 763 HA ILE 16 HA ILE 16 3.083 -0.361 8.762 764 HB ILE 16 HB ILE 16 5.714 -1.119 10.046 765 1HG1 ILE 16 HG12 ILE 16 5.129 0.511 7.562 766 2HG1 ILE 16 HG11 ILE 16 5.588 1.186 9.121 767 1HG2 ILE 16 HG21 ILE 16 4.829 -2.989 8.781 768 2HG2 ILE 16 HG22 ILE 16 6.184 -2.268 7.911 769 3HG2 ILE 16 HG23 ILE 16 4.529 -1.942 7.395 770 1HD1 ILE 16 HD11 ILE 16 7.736 0.056 8.986 771 2HD1 ILE 16 HD12 ILE 16 7.470 1.102 7.591 772 3HD1 ILE 16 HD13 ILE 16 7.274 -0.644 7.434 773 H GLN 17 HN GLN 17 4.118 -1.594 11.937 774 HA GLN 17 HA GLN 17 3.167 -4.231 11.488 775 1HB GLN 17 HB2 GLN 17 4.875 -3.648 13.201 776 2HB GLN 17 HB1 GLN 17 3.621 -2.851 14.142 777 1HG GLN 17 HG2 GLN 17 4.050 -5.058 15.021 778 2HG GLN 17 HG1 GLN 17 2.423 -4.979 14.346 779 1HE2 GLN 17 HE21 GLN 17 2.275 -7.200 14.013 780 2HE2 GLN 17 HE22 GLN 17 3.196 -8.020 12.790 781 H ASP 18 HN ASP 18 1.726 -1.333 12.867 782 HA ASP 18 HA ASP 18 -0.566 -2.474 14.008 783 1HB ASP 18 HB2 ASP 18 0.420 0.003 13.981 784 2HB ASP 18 HB1 ASP 18 -0.743 0.196 12.675 785 H LEU 19 HN LEU 19 -0.056 -1.066 10.791 786 HA LEU 19 HA LEU 19 -2.553 -1.686 9.684 787 1HB LEU 19 HB2 LEU 19 0.146 -1.423 8.356 788 2HB LEU 19 HB1 LEU 19 -1.380 -1.491 7.496 789 HG LEU 19 HG LEU 19 -0.686 0.664 9.491 790 1HD1 LEU 19 HD11 LEU 19 0.856 0.725 7.594 791 2HD1 LEU 19 HD12 LEU 19 -0.256 2.094 7.567 792 3HD1 LEU 19 HD13 LEU 19 -0.513 0.726 6.482 793 1HD2 LEU 19 HD21 LEU 19 -2.556 1.841 8.454 794 2HD2 LEU 19 HD22 LEU 19 -3.077 0.302 9.141 795 3HD2 LEU 19 HD23 LEU 19 -2.847 0.458 7.399 796 H LEU 20 HN LEU 20 0.508 -3.495 9.640 797 HA LEU 20 HA LEU 20 -0.399 -5.616 8.037 798 1HB LEU 20 HB2 LEU 20 1.788 -5.544 10.111 799 2HB LEU 20 HB1 LEU 20 1.510 -6.894 9.027 800 HG LEU 20 HG LEU 20 2.293 -4.094 8.212 801 1HD1 LEU 20 HD11 LEU 20 4.381 -5.145 7.512 802 2HD1 LEU 20 HD12 LEU 20 3.813 -6.694 8.134 803 3HD1 LEU 20 HD13 LEU 20 4.106 -5.354 9.241 804 1HD2 LEU 20 HD21 LEU 20 0.809 -5.136 6.568 805 2HD2 LEU 20 HD22 LEU 20 1.861 -6.552 6.519 806 3HD2 LEU 20 HD23 LEU 20 2.456 -4.991 5.953 807 H ASP 21 HN ASP 21 -0.455 -5.162 11.550 808 HA ASP 21 HA ASP 21 -1.269 -7.752 12.237 809 1HB ASP 21 HB2 ASP 21 -0.493 -6.056 13.880 810 2HB ASP 21 HB1 ASP 21 -2.011 -5.193 13.661 811 H VAL 22 HN VAL 22 -3.189 -4.864 11.448 812 HA VAL 22 HA VAL 22 -5.733 -5.975 11.779 813 HB VAL 22 HB VAL 22 -4.852 -3.930 9.726 814 1HG1 VAL 22 HG11 VAL 22 -6.997 -4.949 9.125 815 2HG1 VAL 22 HG12 VAL 22 -7.200 -3.267 9.618 816 3HG1 VAL 22 HG13 VAL 22 -7.626 -4.570 10.726 817 1HG2 VAL 22 HG21 VAL 22 -6.024 -3.605 12.488 818 2HG2 VAL 22 HG22 VAL 22 -5.755 -2.293 11.341 819 3HG2 VAL 22 HG23 VAL 22 -4.384 -3.194 11.987 820 H LEU 23 HN LEU 23 -3.630 -5.937 8.919 821 HA LEU 23 HA LEU 23 -5.378 -7.301 7.183 822 1HB LEU 23 HB2 LEU 23 -2.360 -7.192 7.162 823 2HB LEU 23 HB1 LEU 23 -3.360 -7.737 5.829 824 HG LEU 23 HG LEU 23 -3.359 -4.938 6.966 825 1HD1 LEU 23 HD11 LEU 23 -1.274 -5.438 5.827 826 2HD1 LEU 23 HD12 LEU 23 -2.252 -4.330 4.864 827 3HD1 LEU 23 HD13 LEU 23 -2.161 -6.037 4.427 828 1HD2 LEU 23 HD21 LEU 23 -4.725 -6.097 4.539 829 2HD2 LEU 23 HD22 LEU 23 -4.701 -4.393 4.993 830 3HD2 LEU 23 HD23 LEU 23 -5.517 -5.568 6.025 831 H VAL 24 HN VAL 24 -2.688 -8.486 9.188 832 HA VAL 24 HA VAL 24 -2.916 -11.190 8.390 833 HB VAL 24 HB VAL 24 -1.687 -10.011 10.891 834 1HG1 VAL 24 HG11 VAL 24 -0.483 -12.124 11.105 835 2HG1 VAL 24 HG12 VAL 24 -1.360 -12.774 9.720 836 3HG1 VAL 24 HG13 VAL 24 -2.225 -12.379 11.206 837 1HG2 VAL 24 HG21 VAL 24 -0.419 -10.915 8.304 838 2HG2 VAL 24 HG22 VAL 24 0.428 -10.274 9.711 839 3HG2 VAL 24 HG23 VAL 24 -0.669 -9.239 8.797 840 H LYS 25 HN LYS 25 -4.379 -9.331 11.009 841 HA LYS 25 HA LYS 25 -5.466 -11.453 12.481 842 1HB LYS 25 HB2 LYS 25 -5.416 -9.006 13.127 843 2HB LYS 25 HB1 LYS 25 -6.794 -8.775 12.060 844 1HG LYS 25 HG2 LYS 25 -8.084 -10.371 13.395 845 2HG LYS 25 HG1 LYS 25 -6.701 -10.570 14.472 846 1HD LYS 25 HD2 LYS 25 -6.804 -8.116 14.927 847 2HD LYS 25 HD1 LYS 25 -8.306 -8.063 14.001 848 1HE LYS 25 HE2 LYS 25 -8.849 -8.220 16.333 849 2HE LYS 25 HE1 LYS 25 -9.257 -9.748 15.555 850 1HZ LYS 25 HZ1 LYS 25 -7.098 -10.624 16.371 851 2HZ LYS 25 HZ2 LYS 25 -8.172 -10.205 17.612 852 3HZ LYS 25 HZ3 LYS 25 -6.873 -9.184 17.233 853 H GLU 26 HN GLU 26 -6.650 -9.781 9.619 854 HA GLU 26 HA GLU 26 -9.121 -11.280 9.574 855 1HB GLU 26 HB2 GLU 26 -7.881 -9.304 7.662 856 2HB GLU 26 HB1 GLU 26 -9.414 -10.108 7.351 857 1HG GLU 26 HG2 GLU 26 -8.821 -8.340 9.713 858 2HG GLU 26 HG1 GLU 26 -9.707 -7.860 8.265 859 H GLU 27 HN GLU 27 -5.960 -11.859 8.613 860 HA GLU 27 HA GLU 27 -4.923 -13.406 7.321 861 1HB GLU 27 HB2 GLU 27 -7.611 -14.746 7.602 862 2HB GLU 27 HB1 GLU 27 -6.237 -15.508 6.811 863 1HG GLU 27 HG2 GLU 27 -4.953 -15.281 8.904 864 2HG GLU 27 HG1 GLU 27 -6.392 -14.615 9.679 865 H VAL 28 HN VAL 28 -5.864 -11.203 5.985 866 HA VAL 28 HA VAL 28 -7.415 -11.821 3.701 867 HB VAL 28 HB VAL 28 -6.675 -9.657 2.810 868 1HG1 VAL 28 HG11 VAL 28 -8.502 -9.689 4.412 869 2HG1 VAL 28 HG12 VAL 28 -7.532 -8.230 4.611 870 3HG1 VAL 28 HG13 VAL 28 -7.355 -9.568 5.748 871 1HG2 VAL 28 HG21 VAL 28 -4.840 -9.569 5.206 872 2HG2 VAL 28 HG22 VAL 28 -5.139 -8.234 4.094 873 3HG2 VAL 28 HG23 VAL 28 -4.346 -9.700 3.518 874 H THR 29 HN THR 29 -6.857 -12.462 1.694 875 HA THR 29 HA THR 29 -4.316 -13.653 1.228 876 HB THR 29 HB THR 29 -6.282 -14.590 0.161 877 HG1 THR 29 HG1 THR 29 -5.061 -15.108 -1.467 878 1HG2 THR 29 HG21 THR 29 -7.618 -12.560 -0.055 879 2HG2 THR 29 HG22 THR 29 -7.505 -13.408 -1.598 880 3HG2 THR 29 HG23 THR 29 -6.529 -11.965 -1.308 881 HA PRO 30 HA PRO 30 -1.706 -10.364 -0.132 882 1HB PRO 30 HB2 PRO 30 -1.407 -12.028 -2.603 883 2HB PRO 30 HB1 PRO 30 -0.165 -11.227 -1.633 884 1HG PRO 30 HG2 PRO 30 -0.598 -13.842 -1.396 885 2HG PRO 30 HG1 PRO 30 -0.227 -12.847 0.023 886 1HD PRO 30 HD2 PRO 30 -2.798 -14.065 -0.812 887 2HD PRO 30 HD1 PRO 30 -2.215 -13.659 0.813 888 H ASP 31 HN ASP 31 -3.867 -11.692 -2.640 889 HA ASP 31 HA ASP 31 -3.854 -9.399 -4.293 890 1HB ASP 31 HB2 ASP 31 -4.579 -11.546 -5.153 891 2HB ASP 31 HB1 ASP 31 -5.914 -11.597 -4.005 892 H LEU 32 HN LEU 32 -6.130 -10.484 -1.797 893 HA LEU 32 HA LEU 32 -7.878 -8.286 -1.929 894 1HB LEU 32 HB2 LEU 32 -8.483 -10.343 -0.783 895 2HB LEU 32 HB1 LEU 32 -7.206 -10.098 0.391 896 HG LEU 32 HG LEU 32 -8.371 -8.098 1.238 897 1HD1 LEU 32 HD11 LEU 32 -10.617 -7.572 0.509 898 2HD1 LEU 32 HD12 LEU 32 -10.574 -8.885 -0.666 899 3HD1 LEU 32 HD13 LEU 32 -9.512 -7.491 -0.863 900 1HD2 LEU 32 HD21 LEU 32 -10.180 -9.264 2.347 901 2HD2 LEU 32 HD22 LEU 32 -8.771 -10.318 2.229 902 3HD2 LEU 32 HD23 LEU 32 -10.136 -10.541 1.133 903 H ALA 33 HN ALA 33 -4.957 -8.880 -0.048 904 HA ALA 33 HA ALA 33 -4.995 -6.552 1.513 905 1HB ALA 33 HB1 ALA 33 -2.604 -8.078 0.486 906 2HB ALA 33 HB2 ALA 33 -3.505 -8.441 1.959 907 3HB ALA 33 HB3 ALA 33 -2.604 -6.929 1.824 908 H LEU 34 HN LEU 34 -3.424 -7.196 -1.623 909 HA LEU 34 HA LEU 34 -2.320 -4.640 -1.963 910 1HB LEU 34 HB2 LEU 34 -3.197 -6.647 -4.038 911 2HB LEU 34 HB1 LEU 34 -2.237 -5.221 -4.383 912 HG LEU 34 HG LEU 34 -1.405 -7.552 -2.653 913 1HD1 LEU 34 HD11 LEU 34 0.251 -7.941 -4.415 914 2HD1 LEU 34 HD12 LEU 34 -0.450 -6.627 -5.358 915 3HD1 LEU 34 HD13 LEU 34 -1.398 -8.077 -5.025 916 1HD2 LEU 34 HD21 LEU 34 -0.507 -5.427 -1.820 917 2HD2 LEU 34 HD22 LEU 34 0.144 -5.080 -3.421 918 3HD2 LEU 34 HD23 LEU 34 0.757 -6.452 -2.499 919 H MET 35 HN MET 35 -5.468 -5.950 -2.892 920 HA MET 35 HA MET 35 -6.340 -3.712 -4.357 921 1HB MET 35 HB2 MET 35 -7.457 -5.885 -4.502 922 2HB MET 35 HB1 MET 35 -7.981 -5.739 -2.829 923 1HG MET 35 HG2 MET 35 -9.418 -3.918 -3.361 924 2HG MET 35 HG1 MET 35 -8.762 -3.805 -4.993 925 1HE MET 35 HE1 MET 35 -11.283 -7.391 -3.533 926 2HE MET 35 HE2 MET 35 -10.959 -5.982 -2.523 927 3HE MET 35 HE3 MET 35 -9.640 -7.057 -2.986 928 H CYS 36 HN CYS 36 -6.641 -4.522 -0.914 929 HA CYS 36 HA CYS 36 -8.215 -2.229 -0.285 930 1HB CYS 36 HB2 CYS 36 -6.510 -3.943 1.532 931 2HB CYS 36 HB1 CYS 36 -7.738 -2.795 2.056 932 HG CYS 36 HG CYS 36 -8.185 -5.789 0.492 933 H LEU 37 HN LEU 37 -4.760 -2.993 0.108 934 HA LEU 37 HA LEU 37 -4.014 -0.541 1.262 935 1HB LEU 37 HB2 LEU 37 -2.398 -2.504 -0.362 936 2HB LEU 37 HB1 LEU 37 -1.709 -1.142 0.500 937 HG LEU 37 HG LEU 37 -3.222 -3.403 1.811 938 1HD1 LEU 37 HD11 LEU 37 -1.027 -4.133 2.613 939 2HD1 LEU 37 HD12 LEU 37 -0.257 -2.880 1.641 940 3HD1 LEU 37 HD13 LEU 37 -1.130 -4.195 0.853 941 1HD2 LEU 37 HD21 LEU 37 -3.342 -1.300 3.044 942 2HD2 LEU 37 HD22 LEU 37 -1.586 -1.147 2.968 943 3HD2 LEU 37 HD23 LEU 37 -2.316 -2.464 3.885 944 H GLY 38 HN GLY 38 -4.227 -1.579 -2.105 945 1HA GLY 38 HA2 GLY 38 -2.975 0.613 -3.311 946 2HA GLY 38 HA1 GLY 38 -4.220 -0.377 -4.060 947 H ASN 39 HN ASN 39 -6.383 0.170 -2.414 948 HA ASN 39 HA ASN 39 -7.231 2.666 -3.469 949 1HB ASN 39 HB2 ASN 39 -8.466 0.685 -1.586 950 2HB ASN 39 HB1 ASN 39 -9.213 2.259 -1.836 951 1HD2 ASN 39 HD21 ASN 39 -8.423 -0.810 -3.283 952 2HD2 ASN 39 HD22 ASN 39 -9.423 -0.618 -4.683 953 H ALA 40 HN ALA 40 -5.983 1.645 -0.366 954 HA ALA 40 HA ALA 40 -6.558 4.018 1.054 955 1HB ALA 40 HB1 ALA 40 -4.912 3.248 2.663 956 2HB ALA 40 HB2 ALA 40 -4.291 2.078 1.499 957 3HB ALA 40 HB3 ALA 40 -5.923 1.901 2.143 958 H VAL 41 HN VAL 41 -3.676 2.937 -0.723 959 HA VAL 41 HA VAL 41 -2.125 5.247 -0.200 960 HB VAL 41 HB VAL 41 -1.872 3.297 -2.502 961 1HG1 VAL 41 HG11 VAL 41 -0.699 5.382 -2.956 962 2HG1 VAL 41 HG12 VAL 41 0.450 4.083 -2.636 963 3HG1 VAL 41 HG13 VAL 41 0.109 5.284 -1.391 964 1HG2 VAL 41 HG21 VAL 41 -0.133 2.236 -1.129 965 2HG2 VAL 41 HG22 VAL 41 -1.712 2.183 -0.344 966 3HG2 VAL 41 HG23 VAL 41 -0.503 3.350 0.188 967 H THR 42 HN THR 42 -4.231 4.343 -2.914 968 HA THR 42 HA THR 42 -3.478 6.507 -4.565 969 HB THR 42 HB THR 42 -4.599 4.448 -5.403 970 HG1 THR 42 HG1 THR 42 -4.663 6.083 -6.858 971 1HG2 THR 42 HG21 THR 42 -7.091 5.695 -4.239 972 2HG2 THR 42 HG22 THR 42 -6.322 4.205 -3.688 973 3HG2 THR 42 HG23 THR 42 -7.039 4.284 -5.297 974 H ASN 43 HN ASN 43 -5.687 6.284 -1.891 975 HA ASN 43 HA ASN 43 -7.090 8.708 -2.621 976 1HB ASN 43 HB2 ASN 43 -8.015 6.663 -1.275 977 2HB ASN 43 HB1 ASN 43 -7.255 7.459 0.101 978 1HD2 ASN 43 HD21 ASN 43 -9.200 7.883 1.103 979 2HD2 ASN 43 HD22 ASN 43 -10.309 9.082 0.526 980 H ILE 44 HN ILE 44 -4.314 7.797 -0.804 981 HA ILE 44 HA ILE 44 -4.096 10.246 0.692 982 HB ILE 44 HB ILE 44 -1.989 8.164 0.057 983 1HG1 ILE 44 HG12 ILE 44 -3.847 7.255 1.373 984 2HG1 ILE 44 HG11 ILE 44 -2.381 7.356 2.341 985 1HG2 ILE 44 HG21 ILE 44 -0.736 9.148 1.936 986 2HG2 ILE 44 HG22 ILE 44 -1.948 10.424 2.054 987 3HG2 ILE 44 HG23 ILE 44 -0.954 10.282 0.604 988 1HD1 ILE 44 HD11 ILE 44 -3.225 9.398 3.386 989 2HD1 ILE 44 HD12 ILE 44 -4.318 8.034 3.622 990 3HD1 ILE 44 HD13 ILE 44 -4.699 9.272 2.425 991 H ILE 45 HN ILE 45 -2.703 8.908 -2.273 992 HA ILE 45 HA ILE 45 -1.092 11.168 -2.887 993 HB ILE 45 HB ILE 45 -2.184 9.091 -4.803 994 1HG1 ILE 45 HG12 ILE 45 0.418 9.095 -3.252 995 2HG1 ILE 45 HG11 ILE 45 -0.972 8.074 -2.897 996 1HG2 ILE 45 HG21 ILE 45 0.227 10.897 -4.997 997 2HG2 ILE 45 HG22 ILE 45 -1.267 11.053 -5.921 998 3HG2 ILE 45 HG23 ILE 45 -0.222 9.654 -6.163 999 1HD1 ILE 45 HD11 ILE 45 0.641 8.019 -5.435 1000 2HD1 ILE 45 HD12 ILE 45 -0.728 6.974 -5.052 1001 3HD1 ILE 45 HD13 ILE 45 0.758 6.865 -4.107 1002 H ALA 46 HN ALA 46 -4.437 10.492 -3.191 1003 HA ALA 46 HA ALA 46 -4.979 12.428 -5.247 1004 1HB ALA 46 HB1 ALA 46 -7.326 11.983 -4.753 1005 2HB ALA 46 HB2 ALA 46 -6.855 11.048 -3.332 1006 3HB ALA 46 HB3 ALA 46 -6.417 10.483 -4.946 1007 H GLN 47 HN GLN 47 -4.090 12.716 -2.076 1008 HA GLN 47 HA GLN 47 -5.728 15.052 -1.498 1009 1HB GLN 47 HB2 GLN 47 -3.569 13.666 0.100 1010 2HB GLN 47 HB1 GLN 47 -4.480 15.062 0.661 1011 1HG GLN 47 HG2 GLN 47 -6.521 13.818 0.649 1012 2HG GLN 47 HG1 GLN 47 -5.735 12.447 -0.132 1013 1HE2 GLN 47 HE21 GLN 47 -6.320 11.053 1.490 1014 2HE2 GLN 47 HE22 GLN 47 -5.592 11.082 3.058 1015 H VAL 48 HN VAL 48 -2.503 14.233 -2.551 1016 HA VAL 48 HA VAL 48 -1.470 16.888 -2.105 1017 HB VAL 48 HB VAL 48 0.551 16.135 -3.243 1018 1HG1 VAL 48 HG11 VAL 48 1.180 14.295 -1.730 1019 2HG1 VAL 48 HG12 VAL 48 -0.516 14.118 -1.276 1020 3HG1 VAL 48 HG13 VAL 48 0.348 15.608 -0.896 1021 1HG2 VAL 48 HG21 VAL 48 -0.945 13.576 -3.775 1022 2HG2 VAL 48 HG22 VAL 48 0.773 13.845 -4.077 1023 3HG2 VAL 48 HG23 VAL 48 -0.437 14.759 -4.981 1024 HA PRO 49 HA PRO 49 -2.721 18.956 -5.765 1025 1HB PRO 49 HB2 PRO 49 0.103 19.781 -6.157 1026 2HB PRO 49 HB1 PRO 49 -1.349 20.773 -5.986 1027 1HG PRO 49 HG2 PRO 49 0.419 20.570 -3.999 1028 2HG PRO 49 HG1 PRO 49 -1.322 20.655 -3.678 1029 1HD PRO 49 HD2 PRO 49 0.505 18.294 -3.613 1030 2HD PRO 49 HD1 PRO 49 -0.865 18.693 -2.558 1031 H GLU 50 HN GLU 50 -2.768 18.737 -7.985 1032 HA GLU 50 HA GLU 50 -1.760 16.308 -9.055 1033 1HB GLU 50 HB2 GLU 50 -3.033 18.682 -10.424 1034 2HB GLU 50 HB1 GLU 50 -2.714 17.135 -11.200 1035 1HG GLU 50 HG2 GLU 50 -4.195 16.026 -9.619 1036 2HG GLU 50 HG1 GLU 50 -4.503 17.565 -8.820 1037 H SER 51 HN SER 51 -0.328 19.324 -8.665 1038 HA SER 51 HA SER 51 1.506 19.235 -10.846 1039 1HB SER 51 HB2 SER 51 0.972 21.320 -9.637 1040 2HB SER 51 HB1 SER 51 1.706 20.662 -8.178 1041 HG SER 51 HG SER 51 3.228 20.760 -10.542 1042 H LYS 52 HN LYS 52 1.258 17.549 -7.876 1043 HA LYS 52 HA LYS 52 3.997 16.501 -8.229 1044 1HB LYS 52 HB2 LYS 52 2.502 16.862 -5.620 1045 2HB LYS 52 HB1 LYS 52 4.105 16.162 -5.794 1046 1HG LYS 52 HG2 LYS 52 5.016 18.263 -6.495 1047 2HG LYS 52 HG1 LYS 52 3.409 18.988 -6.560 1048 1HD LYS 52 HD2 LYS 52 4.447 19.707 -4.532 1049 2HD LYS 52 HD1 LYS 52 3.196 18.537 -4.106 1050 1HE LYS 52 HE2 LYS 52 5.122 18.042 -2.792 1051 2HE LYS 52 HE1 LYS 52 4.983 16.786 -4.021 1052 1HZ LYS 52 HZ1 LYS 52 6.715 17.813 -5.286 1053 2HZ LYS 52 HZ2 LYS 52 7.269 17.633 -3.693 1054 3HZ LYS 52 HZ3 LYS 52 6.762 19.156 -4.251 1055 H ARG 53 HN ARG 53 0.700 15.862 -8.143 1056 HA ARG 53 HA ARG 53 0.486 13.481 -6.730 1057 1HB ARG 53 HB2 ARG 53 -1.398 14.925 -7.467 1058 2HB ARG 53 HB1 ARG 53 -1.170 14.335 -9.105 1059 1HG ARG 53 HG2 ARG 53 -1.788 12.122 -8.468 1060 2HG ARG 53 HG1 ARG 53 -1.806 12.567 -6.762 1061 1HD ARG 53 HD2 ARG 53 -3.630 13.674 -8.890 1062 2HD ARG 53 HD1 ARG 53 -4.068 12.452 -7.697 1063 HE ARG 53 HE ARG 53 -3.155 14.570 -6.219 1064 1HH1 ARG 53 HH11 ARG 53 -5.695 14.072 -8.588 1065 2HH1 ARG 53 HH12 ARG 53 -6.680 15.364 -7.973 1066 1HH2 ARG 53 HH21 ARG 53 -4.455 16.243 -5.409 1067 2HH2 ARG 53 HH22 ARG 53 -5.972 16.609 -6.175 1068 H VAL 54 HN VAL 54 1.107 13.963 -10.200 1069 HA VAL 54 HA VAL 54 1.030 11.167 -10.803 1070 HB VAL 54 HB VAL 54 2.286 13.389 -12.430 1071 1HG1 VAL 54 HG11 VAL 54 1.307 10.646 -13.217 1072 2HG1 VAL 54 HG12 VAL 54 2.990 11.165 -13.132 1073 3HG1 VAL 54 HG13 VAL 54 1.906 11.876 -14.328 1074 1HG2 VAL 54 HG21 VAL 54 -0.064 13.863 -11.913 1075 2HG2 VAL 54 HG22 VAL 54 -0.518 12.282 -12.550 1076 3HG2 VAL 54 HG23 VAL 54 0.165 13.502 -13.624 1077 H ALA 55 HN ALA 55 3.548 13.512 -10.089 1078 HA ALA 55 HA ALA 55 5.770 11.863 -10.611 1079 1HB ALA 55 HB1 ALA 55 5.546 14.145 -8.647 1080 2HB ALA 55 HB2 ALA 55 5.922 14.301 -10.364 1081 3HB ALA 55 HB3 ALA 55 7.040 13.462 -9.290 1082 H VAL 56 HN VAL 56 3.926 12.482 -7.645 1083 HA VAL 56 HA VAL 56 5.532 10.927 -5.930 1084 HB VAL 56 HB VAL 56 2.614 11.693 -5.693 1085 1HG1 VAL 56 HG11 VAL 56 3.050 9.714 -4.341 1086 2HG1 VAL 56 HG12 VAL 56 2.819 11.129 -3.314 1087 3HG1 VAL 56 HG13 VAL 56 4.443 10.507 -3.606 1088 1HG2 VAL 56 HG21 VAL 56 3.444 13.370 -4.114 1089 2HG2 VAL 56 HG22 VAL 56 4.158 13.581 -5.713 1090 3HG2 VAL 56 HG23 VAL 56 5.098 12.839 -4.419 1091 H VAL 57 HN VAL 57 2.543 10.048 -7.725 1092 HA VAL 57 HA VAL 57 2.467 7.437 -6.608 1093 HB VAL 57 HB VAL 57 0.438 8.413 -7.523 1094 1HG1 VAL 57 HG11 VAL 57 1.760 8.146 -10.219 1095 2HG1 VAL 57 HG12 VAL 57 1.357 9.654 -9.397 1096 3HG1 VAL 57 HG13 VAL 57 0.072 8.576 -9.941 1097 1HG2 VAL 57 HG21 VAL 57 -0.381 6.476 -8.753 1098 2HG2 VAL 57 HG22 VAL 57 0.613 5.991 -7.380 1099 3HG2 VAL 57 HG23 VAL 57 1.276 5.933 -9.014 1100 H ASP 58 HN ASP 58 3.858 8.727 -9.599 1101 HA ASP 58 HA ASP 58 4.632 6.231 -10.696 1102 1HB ASP 58 HB2 ASP 58 4.590 8.281 -12.038 1103 2HB ASP 58 HB1 ASP 58 5.879 8.959 -11.052 1104 H ASN 59 HN ASN 59 6.344 8.599 -8.704 1105 HA ASN 59 HA ASN 59 8.750 7.158 -8.460 1106 1HB ASN 59 HB2 ASN 59 8.714 9.488 -7.948 1107 2HB ASN 59 HB1 ASN 59 7.448 9.270 -6.747 1108 1HD2 ASN 59 HD21 ASN 59 7.972 8.725 -4.716 1109 2HD2 ASN 59 HD22 ASN 59 9.587 8.580 -4.147 1110 H PHE 60 HN PHE 60 5.797 7.168 -6.523 1111 HA PHE 60 HA PHE 60 6.614 5.492 -4.432 1112 1HB PHE 60 HB2 PHE 60 4.451 6.759 -4.526 1113 2HB PHE 60 HB1 PHE 60 3.880 5.602 -5.727 1114 HD1 PHE 60 HD1 PHE 60 5.094 5.833 -2.210 1115 HD2 PHE 60 HD2 PHE 60 2.817 3.664 -5.083 1116 HE1 PHE 60 HE1 PHE 60 4.228 4.379 -0.425 1117 HE2 PHE 60 HE2 PHE 60 1.952 2.209 -3.298 1118 HZ PHE 60 HZ PHE 60 2.653 2.565 -0.972 1119 H THR 61 HN THR 61 4.888 4.691 -7.427 1120 HA THR 61 HA THR 61 4.923 1.906 -7.015 1121 HB THR 61 HB THR 61 4.437 1.815 -9.512 1122 HG1 THR 61 HG1 THR 61 4.203 4.638 -9.237 1123 1HG2 THR 61 HG21 THR 61 2.721 3.513 -7.701 1124 2HG2 THR 61 HG22 THR 61 2.650 1.757 -7.898 1125 3HG2 THR 61 HG23 THR 61 2.182 2.815 -9.231 1126 H LYS 62 HN LYS 62 7.035 4.067 -8.860 1127 HA LYS 62 HA LYS 62 8.773 2.199 -9.966 1128 1HB LYS 62 HB2 LYS 62 8.698 4.689 -10.341 1129 2HB LYS 62 HB1 LYS 62 9.549 4.878 -8.819 1130 1HG LYS 62 HG2 LYS 62 11.439 3.612 -9.726 1131 2HG LYS 62 HG1 LYS 62 10.580 3.463 -11.264 1132 1HD LYS 62 HD2 LYS 62 11.533 5.994 -9.933 1133 2HD LYS 62 HD1 LYS 62 12.100 5.303 -11.457 1134 1HE LYS 62 HE2 LYS 62 9.982 5.734 -12.504 1135 2HE LYS 62 HE1 LYS 62 9.271 6.228 -10.971 1136 1HZ LYS 62 HZ1 LYS 62 9.785 8.157 -12.240 1137 2HZ LYS 62 HZ2 LYS 62 11.381 7.654 -12.499 1138 3HZ LYS 62 HZ3 LYS 62 10.872 8.095 -10.941 1139 H ALA 63 HN ALA 63 9.146 3.948 -6.874 1140 HA ALA 63 HA ALA 63 11.463 2.554 -6.064 1141 1HB ALA 63 HB1 ALA 63 9.443 3.978 -4.335 1142 2HB ALA 63 HB2 ALA 63 10.819 4.730 -5.142 1143 3HB ALA 63 HB3 ALA 63 11.085 3.537 -3.871 1144 H LEU 64 HN LEU 64 8.037 1.966 -5.480 1145 HA LEU 64 HA LEU 64 8.318 0.037 -3.461 1146 1HB LEU 64 HB2 LEU 64 6.226 1.306 -4.243 1147 2HB LEU 64 HB1 LEU 64 6.082 0.067 -5.472 1148 HG LEU 64 HG LEU 64 6.221 -0.693 -2.569 1149 1HD1 LEU 64 HD11 LEU 64 4.463 0.973 -2.718 1150 2HD1 LEU 64 HD12 LEU 64 3.771 -0.635 -2.507 1151 3HD1 LEU 64 HD13 LEU 64 3.756 0.132 -4.095 1152 1HD2 LEU 64 HD21 LEU 64 4.902 -1.955 -4.972 1153 2HD2 LEU 64 HD22 LEU 64 4.913 -2.606 -3.334 1154 3HD2 LEU 64 HD23 LEU 64 6.423 -2.468 -4.237 1155 H LYS 65 HN LYS 65 8.037 -0.342 -7.004 1156 HA LYS 65 HA LYS 65 8.163 -3.162 -6.976 1157 1HB LYS 65 HB2 LYS 65 9.066 -1.257 -9.148 1158 2HB LYS 65 HB1 LYS 65 8.848 -2.991 -9.345 1159 1HG LYS 65 HG2 LYS 65 6.453 -2.673 -8.701 1160 2HG LYS 65 HG1 LYS 65 6.738 -0.935 -8.765 1161 1HD LYS 65 HD2 LYS 65 7.123 -2.856 -11.058 1162 2HD LYS 65 HD1 LYS 65 5.726 -1.804 -10.834 1163 1HE LYS 65 HE2 LYS 65 6.921 -0.478 -12.233 1164 2HE LYS 65 HE1 LYS 65 7.649 0.037 -10.713 1165 1HZ LYS 65 HZ1 LYS 65 9.247 -0.515 -12.541 1166 2HZ LYS 65 HZ2 LYS 65 8.771 -2.134 -12.393 1167 3HZ LYS 65 HZ3 LYS 65 9.516 -1.344 -11.088 1168 H GLN 66 HN GLN 66 10.630 -0.671 -6.980 1169 HA GLN 66 HA GLN 66 12.844 -2.349 -7.469 1170 1HB GLN 66 HB2 GLN 66 12.853 0.131 -7.683 1171 2HB GLN 66 HB1 GLN 66 12.760 0.259 -5.935 1172 1HG GLN 66 HG2 GLN 66 15.004 -1.226 -7.235 1173 2HG GLN 66 HG1 GLN 66 15.032 0.530 -7.115 1174 1HE2 GLN 66 HE21 GLN 66 13.626 0.546 -4.549 1175 2HE2 GLN 66 HE22 GLN 66 14.782 0.024 -3.374 1176 H SER 67 HN SER 67 11.304 -1.253 -4.453 1177 HA SER 67 HA SER 67 13.213 -2.541 -2.776 1178 1HB SER 67 HB2 SER 67 11.439 -2.093 -0.988 1179 2HB SER 67 HB1 SER 67 12.097 -0.688 -1.825 1180 HG SER 67 HG SER 67 9.541 -1.700 -1.817 1181 H VAL 68 HN VAL 68 10.211 -3.510 -4.248 1182 HA VAL 68 HA VAL 68 9.894 -5.892 -2.690 1183 HB VAL 68 HB VAL 68 8.654 -5.005 -5.295 1184 1HG1 VAL 68 HG11 VAL 68 8.036 -7.489 -3.702 1185 2HG1 VAL 68 HG12 VAL 68 8.797 -7.445 -5.292 1186 3HG1 VAL 68 HG13 VAL 68 7.129 -6.903 -5.095 1187 1HG2 VAL 68 HG21 VAL 68 6.626 -4.815 -3.916 1188 2HG2 VAL 68 HG22 VAL 68 7.926 -3.780 -3.326 1189 3HG2 VAL 68 HG23 VAL 68 7.560 -5.294 -2.498 1190 H LEU 69 HN LEU 69 11.300 -5.131 -5.851 1191 HA LEU 69 HA LEU 69 11.870 -7.773 -6.626 1192 1HB LEU 69 HB2 LEU 69 13.197 -5.167 -7.352 1193 2HB LEU 69 HB1 LEU 69 13.648 -6.699 -8.070 1194 HG LEU 69 HG LEU 69 10.935 -5.394 -8.267 1195 1HD1 LEU 69 HD11 LEU 69 11.499 -5.107 -10.624 1196 2HD1 LEU 69 HD12 LEU 69 13.098 -5.791 -10.328 1197 3HD1 LEU 69 HD13 LEU 69 12.643 -4.258 -9.584 1198 1HD2 LEU 69 HD21 LEU 69 11.970 -7.929 -9.536 1199 2HD2 LEU 69 HD22 LEU 69 10.396 -7.189 -9.826 1200 3HD2 LEU 69 HD23 LEU 69 10.783 -7.837 -8.234 1201 H GLU 70 HN GLU 70 13.943 -5.352 -5.005 1202 HA GLU 70 HA GLU 70 15.504 -7.634 -4.013 1203 1HB GLU 70 HB2 GLU 70 16.716 -6.325 -5.780 1204 2HB GLU 70 HB1 GLU 70 16.701 -4.951 -4.681 1205 1HG GLU 70 HG2 GLU 70 18.821 -6.094 -4.557 1206 2HG GLU 70 HG1 GLU 70 17.950 -6.261 -3.034 1207 H HIS 71 HN HIS 71 14.310 -7.641 -2.137 1208 HA HIS 71 HA HIS 71 15.123 -5.557 -0.211 1209 1HB HIS 71 HB2 HIS 71 12.598 -6.020 -0.589 1210 2HB HIS 71 HB1 HIS 71 12.892 -7.562 0.202 1211 HD1 HIS 71 HD1 HIS 71 12.608 -3.905 0.884 1212 HD2 HIS 71 HD2 HIS 71 13.303 -7.424 2.980 1213 HE1 HIS 71 HE1 HIS 71 12.356 -3.306 3.314 1214 HE2 HIS 71 HE2 HIS 71 12.992 -5.400 4.562 1215 H HIS 72 HN HIS 72 16.863 -7.422 -1.151 1216 HA HIS 72 HA HIS 72 18.166 -9.218 -0.792 1217 1HB HIS 72 HB2 HIS 72 18.312 -8.412 1.585 1218 2HB HIS 72 HB1 HIS 72 16.927 -9.434 1.965 1219 HD1 HIS 72 HD1 HIS 72 17.367 -11.901 2.357 1220 HD2 HIS 72 HD2 HIS 72 20.681 -9.866 0.873 1221 HE1 HIS 72 HE1 HIS 72 19.284 -13.520 2.508 1222 HE2 HIS 72 HE2 HIS 72 21.219 -12.341 1.405 1223 H HIS 73 HN HIS 73 16.766 -10.022 -2.439 1224 HA HIS 73 HA HIS 73 14.395 -11.401 -2.033 1225 1HB HIS 73 HB2 HIS 73 14.706 -12.349 -4.233 1226 2HB HIS 73 HB1 HIS 73 15.243 -10.676 -4.238 1227 HD1 HIS 73 HD1 HIS 73 17.837 -10.267 -4.440 1228 HD2 HIS 73 HD2 HIS 73 16.617 -14.224 -4.864 1229 HE1 HIS 73 HE1 HIS 73 19.794 -11.479 -5.457 1230 HE2 HIS 73 HE2 HIS 73 18.941 -13.812 -5.913 1231 H HIS 74 HN HIS 74 13.953 -13.737 -2.197 1232 HA HIS 74 HA HIS 74 15.541 -14.878 -0.048 1233 1HB HIS 74 HB2 HIS 74 13.052 -14.741 0.115 1234 2HB HIS 74 HB1 HIS 74 12.946 -15.900 -1.208 1235 HD1 HIS 74 HD1 HIS 74 13.073 -18.338 -0.600 1236 HD2 HIS 74 HD2 HIS 74 14.275 -15.834 2.501 1237 HE1 HIS 74 HE1 HIS 74 13.419 -19.835 1.397 1238 HE2 HIS 74 HE2 HIS 74 14.351 -18.323 3.187 1239 H HIS 75 HN HIS 75 17.354 -15.364 -1.437 1240 HA HIS 75 HA HIS 75 16.956 -17.892 -2.892 1241 1HB HIS 75 HB2 HIS 75 18.152 -15.915 -4.015 1242 2HB HIS 75 HB1 HIS 75 19.482 -16.232 -2.904 1243 HD1 HIS 75 HD1 HIS 75 21.234 -17.241 -4.365 1244 HD2 HIS 75 HD2 HIS 75 17.479 -18.910 -5.026 1245 HE1 HIS 75 HE1 HIS 75 21.605 -19.137 -5.977 1246 HE2 HIS 75 HE2 HIS 75 19.317 -20.108 -6.398 1247 H HIS 76 HN HIS 76 17.446 -16.898 0.071 1248 HA HIS 76 HA HIS 76 19.132 -19.197 0.783 1249 1HB HIS 76 HB2 HIS 76 19.191 -16.405 1.924 1250 2HB HIS 76 HB1 HIS 76 19.751 -17.787 2.857 1251 HD1 HIS 76 HD1 HIS 76 22.131 -18.420 2.547 1252 HD2 HIS 76 HD2 HIS 76 20.720 -16.065 -0.579 1253 HE1 HIS 76 HE1 HIS 76 24.132 -17.938 1.104 1254 HE2 HIS 76 HE2 HIS 76 23.227 -16.649 -0.866 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -5.723 -22.735 2.484 2 2H MET 1 HT2 MET 1 -6.390 -24.297 2.457 3 3H MET 1 HT3 MET 1 -5.856 -23.625 3.920 4 HA MET 1 HA MET 1 -8.279 -23.598 3.693 5 1HB MET 1 HB2 MET 1 -7.207 -21.963 5.134 6 2HB MET 1 HB1 MET 1 -6.859 -20.925 3.760 7 1HG MET 1 HG2 MET 1 -9.290 -20.635 3.419 8 2HG MET 1 HG1 MET 1 -9.572 -21.583 4.879 9 1HE MET 1 HE1 MET 1 -10.432 -17.850 5.871 10 2HE MET 1 HE2 MET 1 -11.066 -19.492 5.742 11 3HE MET 1 HE3 MET 1 -10.653 -18.589 4.285 12 HA PRO 2 HA PRO 2 -9.702 -22.719 -0.467 13 1HB PRO 2 HB2 PRO 2 -12.374 -22.705 0.158 14 2HB PRO 2 HB1 PRO 2 -11.440 -24.175 -0.144 15 1HG PRO 2 HG2 PRO 2 -12.224 -22.925 2.460 16 2HG PRO 2 HG1 PRO 2 -12.204 -24.637 1.996 17 1HD PRO 2 HD2 PRO 2 -10.255 -23.537 3.501 18 2HD PRO 2 HD1 PRO 2 -9.926 -24.830 2.330 19 H ILE 3 HN ILE 3 -9.227 -20.656 -0.992 20 HA ILE 3 HA ILE 3 -10.201 -18.439 0.570 21 HB ILE 3 HB ILE 3 -9.031 -17.023 -1.089 22 1HG1 ILE 3 HG12 ILE 3 -8.234 -19.661 -2.348 23 2HG1 ILE 3 HG11 ILE 3 -9.350 -18.498 -3.056 24 1HG2 ILE 3 HG21 ILE 3 -7.856 -17.814 0.877 25 2HG2 ILE 3 HG22 ILE 3 -6.759 -17.768 -0.503 26 3HG2 ILE 3 HG23 ILE 3 -7.421 -19.307 0.045 27 1HD1 ILE 3 HD11 ILE 3 -6.440 -18.005 -2.466 28 2HD1 ILE 3 HD12 ILE 3 -7.559 -16.857 -3.202 29 3HD1 ILE 3 HD13 ILE 3 -7.133 -18.344 -4.051 30 H VAL 4 HN VAL 4 -11.472 -16.712 -0.255 31 HA VAL 4 HA VAL 4 -13.613 -17.667 -1.975 32 HB VAL 4 HB VAL 4 -13.440 -14.987 -0.586 33 1HG1 VAL 4 HG11 VAL 4 -15.810 -16.599 -1.522 34 2HG1 VAL 4 HG12 VAL 4 -15.134 -15.189 -2.336 35 3HG1 VAL 4 HG13 VAL 4 -15.863 -15.018 -0.742 36 1HG2 VAL 4 HG21 VAL 4 -13.147 -16.731 1.089 37 2HG2 VAL 4 HG22 VAL 4 -14.585 -17.560 0.495 38 3HG2 VAL 4 HG23 VAL 4 -14.731 -15.973 1.249 39 H SER 5 HN SER 5 -14.183 -16.693 -3.936 40 HA SER 5 HA SER 5 -11.975 -15.738 -5.430 41 1HB SER 5 HB2 SER 5 -13.774 -15.471 -7.238 42 2HB SER 5 HB1 SER 5 -13.494 -17.090 -6.598 43 HG SER 5 HG SER 5 -15.754 -16.358 -6.784 44 H LYS 6 HN LYS 6 -15.084 -14.149 -4.620 45 HA LYS 6 HA LYS 6 -13.822 -11.581 -5.313 46 1HB LYS 6 HB2 LYS 6 -16.101 -10.673 -5.445 47 2HB LYS 6 HB1 LYS 6 -15.899 -12.058 -6.512 48 1HG LYS 6 HG2 LYS 6 -17.188 -13.445 -5.152 49 2HG LYS 6 HG1 LYS 6 -17.047 -12.367 -3.763 50 1HD LYS 6 HD2 LYS 6 -18.412 -10.698 -4.938 51 2HD LYS 6 HD1 LYS 6 -18.578 -11.808 -6.300 52 1HE LYS 6 HE2 LYS 6 -20.520 -11.783 -4.714 53 2HE LYS 6 HE1 LYS 6 -19.800 -13.372 -4.983 54 1HZ LYS 6 HZ1 LYS 6 -18.939 -11.714 -2.699 55 2HZ LYS 6 HZ2 LYS 6 -18.871 -13.396 -2.885 56 3HZ LYS 6 HZ3 LYS 6 -20.355 -12.638 -2.593 57 H TYR 7 HN TYR 7 -14.823 -13.450 -2.671 58 HA TYR 7 HA TYR 7 -15.057 -13.096 -0.444 59 1HB TYR 7 HB2 TYR 7 -13.537 -10.572 -1.126 60 2HB TYR 7 HB1 TYR 7 -13.953 -11.032 0.521 61 HD1 TYR 7 HD2 TYR 7 -13.047 -13.209 1.423 62 HD2 TYR 7 HD1 TYR 7 -11.621 -11.463 -2.184 63 HE1 TYR 7 HE2 TYR 7 -11.007 -14.568 1.579 64 HE2 TYR 7 HE1 TYR 7 -9.571 -12.815 -2.031 65 HH TYR 7 HH TYR 7 -8.270 -14.000 -0.398 66 H SER 8 HN SER 8 -15.546 -10.723 1.000 67 HA SER 8 HA SER 8 -18.183 -9.977 -0.043 68 1HB SER 8 HB2 SER 8 -18.516 -9.208 2.387 69 2HB SER 8 HB1 SER 8 -18.428 -10.948 2.106 70 HG SER 8 HG SER 8 -16.654 -11.030 3.247 71 H ASN 9 HN ASN 9 -18.464 -7.976 -0.779 72 HA ASN 9 HA ASN 9 -16.352 -6.196 -1.187 73 1HB ASN 9 HB2 ASN 9 -19.145 -5.130 -1.033 74 2HB ASN 9 HB1 ASN 9 -17.888 -4.793 -2.215 75 1HD2 ASN 9 HD21 ASN 9 -20.438 -6.916 -1.258 76 2HD2 ASN 9 HD22 ASN 9 -20.526 -7.819 -2.741 77 H GLU 10 HN GLU 10 -18.975 -6.140 1.144 78 HA GLU 10 HA GLU 10 -18.476 -3.784 2.472 79 1HB GLU 10 HB2 GLU 10 -19.403 -6.364 3.753 80 2HB GLU 10 HB1 GLU 10 -19.679 -4.739 4.359 81 1HG GLU 10 HG2 GLU 10 -21.705 -5.291 3.404 82 2HG GLU 10 HG1 GLU 10 -20.922 -4.351 2.137 83 H ARG 11 HN ARG 11 -16.998 -6.963 3.004 84 HA ARG 11 HA ARG 11 -15.532 -6.095 5.303 85 1HB ARG 11 HB2 ARG 11 -16.186 -8.449 4.997 86 2HB ARG 11 HB1 ARG 11 -15.136 -8.551 3.590 87 1HG ARG 11 HG2 ARG 11 -13.194 -8.156 4.966 88 2HG ARG 11 HG1 ARG 11 -14.216 -7.951 6.392 89 1HD ARG 11 HD2 ARG 11 -15.037 -10.285 6.019 90 2HD ARG 11 HD1 ARG 11 -13.808 -10.451 4.765 91 HE ARG 11 HE ARG 11 -12.771 -9.582 7.310 92 1HH1 ARG 11 HH11 ARG 11 -13.577 -12.353 5.311 93 2HH1 ARG 11 HH12 ARG 11 -12.552 -13.440 6.198 94 1HH2 ARG 11 HH21 ARG 11 -11.475 -11.012 8.488 95 2HH2 ARG 11 HH22 ARG 11 -11.350 -12.673 7.997 96 H VAL 12 HN VAL 12 -14.748 -6.634 1.878 97 HA VAL 12 HA VAL 12 -12.006 -6.163 2.002 98 HB VAL 12 HB VAL 12 -13.928 -5.467 -0.233 99 1HG1 VAL 12 HG11 VAL 12 -11.936 -5.508 -1.690 100 2HG1 VAL 12 HG12 VAL 12 -10.915 -5.648 -0.259 101 3HG1 VAL 12 HG13 VAL 12 -11.885 -4.197 -0.513 102 1HG2 VAL 12 HG21 VAL 12 -13.934 -7.830 0.299 103 2HG2 VAL 12 HG22 VAL 12 -12.171 -7.875 0.247 104 3HG2 VAL 12 HG23 VAL 12 -13.089 -7.571 -1.230 105 H GLU 13 HN GLU 13 -14.656 -3.829 1.575 106 HA GLU 13 HA GLU 13 -12.921 -1.556 1.586 107 1HB GLU 13 HB2 GLU 13 -15.907 -1.815 1.951 108 2HB GLU 13 HB1 GLU 13 -15.064 -0.272 1.898 109 1HG GLU 13 HG2 GLU 13 -14.248 -0.830 -0.363 110 2HG GLU 13 HG1 GLU 13 -15.185 -2.321 -0.307 111 H LYS 14 HN LYS 14 -14.516 -3.437 4.022 112 HA LYS 14 HA LYS 14 -14.278 -1.603 6.176 113 1HB LYS 14 HB2 LYS 14 -15.804 -3.492 6.279 114 2HB LYS 14 HB1 LYS 14 -14.471 -4.621 6.126 115 1HG LYS 14 HG2 LYS 14 -14.435 -2.759 8.434 116 2HG LYS 14 HG1 LYS 14 -15.611 -4.075 8.445 117 1HD LYS 14 HD2 LYS 14 -13.705 -5.642 7.957 118 2HD LYS 14 HD1 LYS 14 -12.611 -4.287 8.238 119 1HE LYS 14 HE2 LYS 14 -14.599 -5.382 10.226 120 2HE LYS 14 HE1 LYS 14 -12.865 -5.700 10.229 121 1HZ LYS 14 HZ1 LYS 14 -12.438 -3.376 10.604 122 2HZ LYS 14 HZ2 LYS 14 -13.515 -3.946 11.790 123 3HZ LYS 14 HZ3 LYS 14 -14.094 -3.011 10.505 124 H ILE 15 HN ILE 15 -12.188 -4.135 4.876 125 HA ILE 15 HA ILE 15 -10.128 -3.955 6.788 126 HB ILE 15 HB ILE 15 -9.873 -4.638 3.850 127 1HG1 ILE 15 HG12 ILE 15 -10.218 -6.490 6.217 128 2HG1 ILE 15 HG11 ILE 15 -11.520 -6.025 5.128 129 1HG2 ILE 15 HG21 ILE 15 -7.849 -5.862 4.551 130 2HG2 ILE 15 HG22 ILE 15 -8.047 -5.219 6.182 131 3HG2 ILE 15 HG23 ILE 15 -7.720 -4.128 4.837 132 1HD1 ILE 15 HD11 ILE 15 -9.025 -7.506 4.331 133 2HD1 ILE 15 HD12 ILE 15 -10.373 -7.085 3.274 134 3HD1 ILE 15 HD13 ILE 15 -10.612 -8.227 4.597 135 H ILE 16 HN ILE 16 -10.602 -2.316 3.678 136 HA ILE 16 HA ILE 16 -8.318 -0.709 3.694 137 HB ILE 16 HB ILE 16 -11.049 -0.003 2.592 138 1HG1 ILE 16 HG12 ILE 16 -8.692 -1.323 1.221 139 2HG1 ILE 16 HG11 ILE 16 -10.145 -2.162 1.753 140 1HG2 ILE 16 HG21 ILE 16 -9.812 1.475 1.069 141 2HG2 ILE 16 HG22 ILE 16 -8.314 1.079 1.914 142 3HG2 ILE 16 HG23 ILE 16 -9.601 1.942 2.757 143 1HD1 ILE 16 HD11 ILE 16 -10.206 -1.717 -0.628 144 2HD1 ILE 16 HD12 ILE 16 -10.025 0.011 -0.324 145 3HD1 ILE 16 HD13 ILE 16 -11.482 -0.831 0.208 146 H GLN 17 HN GLN 17 -11.518 -0.188 5.095 147 HA GLN 17 HA GLN 17 -11.118 2.418 6.043 148 1HB GLN 17 HB2 GLN 17 -13.320 1.311 5.893 149 2HB GLN 17 HB1 GLN 17 -12.860 0.240 7.206 150 1HG GLN 17 HG2 GLN 17 -14.342 2.100 7.885 151 2HG GLN 17 HG1 GLN 17 -12.811 2.050 8.759 152 1HE2 GLN 17 HE21 GLN 17 -11.368 3.695 8.540 153 2HE2 GLN 17 HE22 GLN 17 -11.723 5.166 7.686 154 H ASP 18 HN ASP 18 -10.626 -0.725 7.654 155 HA ASP 18 HA ASP 18 -9.761 0.228 10.127 156 1HB ASP 18 HB2 ASP 18 -9.415 -2.303 8.622 157 2HB ASP 18 HB1 ASP 18 -8.261 -2.005 9.917 158 H LEU 19 HN LEU 19 -7.916 -0.348 7.171 159 HA LEU 19 HA LEU 19 -5.371 0.289 8.195 160 1HB LEU 19 HB2 LEU 19 -6.440 0.685 5.397 161 2HB LEU 19 HB1 LEU 19 -4.748 0.703 5.853 162 HG LEU 19 HG LEU 19 -6.552 -1.698 6.150 163 1HD1 LEU 19 HD11 LEU 19 -5.353 -2.594 4.209 164 2HD1 LEU 19 HD12 LEU 19 -4.520 -1.051 4.018 165 3HD1 LEU 19 HD13 LEU 19 -6.267 -1.141 3.799 166 1HD2 LEU 19 HD21 LEU 19 -4.676 -1.678 7.707 167 2HD2 LEU 19 HD22 LEU 19 -3.557 -1.385 6.376 168 3HD2 LEU 19 HD23 LEU 19 -4.442 -2.908 6.465 169 H LEU 20 HN LEU 20 -7.826 2.291 6.601 170 HA LEU 20 HA LEU 20 -6.425 4.720 6.663 171 1HB LEU 20 HB2 LEU 20 -9.401 4.208 6.756 172 2HB LEU 20 HB1 LEU 20 -8.672 5.776 6.476 173 HG LEU 20 HG LEU 20 -8.359 3.373 4.676 174 1HD1 LEU 20 HD11 LEU 20 -9.797 4.593 3.133 175 2HD1 LEU 20 HD12 LEU 20 -9.999 5.878 4.324 176 3HD1 LEU 20 HD13 LEU 20 -10.634 4.265 4.651 177 1HD2 LEU 20 HD21 LEU 20 -7.363 4.974 3.111 178 2HD2 LEU 20 HD22 LEU 20 -6.422 4.843 4.598 179 3HD2 LEU 20 HD23 LEU 20 -7.474 6.237 4.340 180 H ASP 21 HN ASP 21 -8.552 3.193 9.041 181 HA ASP 21 HA ASP 21 -8.766 5.289 10.866 182 1HB ASP 21 HB2 ASP 21 -8.923 2.316 11.105 183 2HB ASP 21 HB1 ASP 21 -8.858 3.277 12.578 184 H VAL 22 HN VAL 22 -6.278 2.788 10.588 185 HA VAL 22 HA VAL 22 -4.788 3.503 12.862 186 HB VAL 22 HB VAL 22 -3.803 2.263 10.282 187 1HG1 VAL 22 HG11 VAL 22 -1.964 3.202 11.582 188 2HG1 VAL 22 HG12 VAL 22 -1.920 1.438 11.614 189 3HG1 VAL 22 HG13 VAL 22 -2.519 2.333 13.013 190 1HG2 VAL 22 HG21 VAL 22 -5.552 0.945 11.322 191 2HG2 VAL 22 HG22 VAL 22 -4.708 1.002 12.868 192 3HG2 VAL 22 HG23 VAL 22 -3.996 0.136 11.505 193 H LEU 23 HN LEU 23 -4.556 4.558 9.489 194 HA LEU 23 HA LEU 23 -2.272 6.187 9.800 195 1HB LEU 23 HB2 LEU 23 -4.529 6.432 7.808 196 2HB LEU 23 HB1 LEU 23 -2.968 7.219 7.677 197 HG LEU 23 HG LEU 23 -3.427 4.233 7.622 198 1HD1 LEU 23 HD11 LEU 23 -4.262 5.319 5.617 199 2HD1 LEU 23 HD12 LEU 23 -2.792 4.411 5.264 200 3HD1 LEU 23 HD13 LEU 23 -2.729 6.167 5.419 201 1HD2 LEU 23 HD21 LEU 23 -1.064 4.116 6.971 202 2HD2 LEU 23 HD22 LEU 23 -1.265 4.797 8.585 203 3HD2 LEU 23 HD23 LEU 23 -0.917 5.856 7.219 204 H VAL 24 HN VAL 24 -5.739 6.910 9.959 205 HA VAL 24 HA VAL 24 -5.411 9.703 10.382 206 HB VAL 24 HB VAL 24 -7.782 7.932 11.017 207 1HG1 VAL 24 HG11 VAL 24 -7.873 10.029 12.272 208 2HG1 VAL 24 HG12 VAL 24 -9.102 9.988 11.008 209 3HG1 VAL 24 HG13 VAL 24 -7.633 10.939 10.779 210 1HG2 VAL 24 HG21 VAL 24 -7.207 7.885 8.659 211 2HG2 VAL 24 HG22 VAL 24 -7.174 9.649 8.613 212 3HG2 VAL 24 HG23 VAL 24 -8.694 8.803 8.904 213 H LYS 25 HN LYS 25 -5.539 6.922 12.511 214 HA LYS 25 HA LYS 25 -5.975 8.299 14.930 215 1HB LYS 25 HB2 LYS 25 -6.195 5.834 14.626 216 2HB LYS 25 HB1 LYS 25 -4.444 5.721 14.529 217 1HG LYS 25 HG2 LYS 25 -4.185 6.381 16.784 218 2HG LYS 25 HG1 LYS 25 -5.877 6.865 16.907 219 1HD LYS 25 HD2 LYS 25 -6.517 4.488 16.522 220 2HD LYS 25 HD1 LYS 25 -4.805 4.064 16.584 221 1HE LYS 25 HE2 LYS 25 -4.630 4.758 18.850 222 2HE LYS 25 HE1 LYS 25 -6.228 5.506 18.811 223 1HZ LYS 25 HZ1 LYS 25 -5.625 2.602 18.638 224 2HZ LYS 25 HZ2 LYS 25 -7.172 3.279 18.460 225 3HZ LYS 25 HZ3 LYS 25 -6.357 3.413 19.940 226 H GLU 26 HN GLU 26 -3.051 7.579 13.111 227 HA GLU 26 HA GLU 26 -1.336 8.747 15.128 228 1HB GLU 26 HB2 GLU 26 -0.770 7.798 12.314 229 2HB GLU 26 HB1 GLU 26 0.455 8.393 13.422 230 1HG GLU 26 HG2 GLU 26 -1.276 5.972 13.846 231 2HG GLU 26 HG1 GLU 26 0.411 5.965 13.338 232 H GLU 27 HN GLU 27 -3.252 9.877 12.578 233 HA GLU 27 HA GLU 27 -3.401 11.800 11.374 234 1HB GLU 27 HB2 GLU 27 -1.794 12.904 13.683 235 2HB GLU 27 HB1 GLU 27 -2.583 13.881 12.454 236 1HG GLU 27 HG2 GLU 27 -4.752 13.018 13.170 237 2HG GLU 27 HG1 GLU 27 -3.953 12.052 14.410 238 H VAL 28 HN VAL 28 -1.704 10.212 10.256 239 HA VAL 28 HA VAL 28 0.969 11.219 10.074 240 HB VAL 28 HB VAL 28 1.279 9.543 8.306 241 1HG1 VAL 28 HG11 VAL 28 0.843 7.554 9.668 242 2HG1 VAL 28 HG12 VAL 28 -0.194 8.511 10.725 243 3HG1 VAL 28 HG13 VAL 28 1.531 8.868 10.620 244 1HG2 VAL 28 HG21 VAL 28 -0.899 9.673 7.228 245 2HG2 VAL 28 HG22 VAL 28 -1.669 9.002 8.667 246 3HG2 VAL 28 HG23 VAL 28 -0.556 8.014 7.721 247 H THR 29 HN THR 29 1.918 12.381 8.474 248 HA THR 29 HA THR 29 0.296 13.897 6.663 249 HB THR 29 HB THR 29 2.237 15.024 7.405 250 HG1 THR 29 HG1 THR 29 2.176 15.565 5.300 251 1HG2 THR 29 HG21 THR 29 3.484 13.092 8.211 252 2HG2 THR 29 HG22 THR 29 4.505 14.136 7.220 253 3HG2 THR 29 HG23 THR 29 3.864 12.633 6.551 254 HA PRO 30 HA PRO 30 -0.112 11.169 3.184 255 1HB PRO 30 HB2 PRO 30 1.011 13.501 1.677 256 2HB PRO 30 HB1 PRO 30 -0.387 12.488 1.296 257 1HG PRO 30 HG2 PRO 30 -0.743 14.890 2.354 258 2HG PRO 30 HG1 PRO 30 -1.733 13.518 2.891 259 1HD PRO 30 HD2 PRO 30 0.525 14.883 4.274 260 2HD PRO 30 HD1 PRO 30 -0.920 14.110 4.957 261 H ASP 31 HN ASP 31 2.856 13.121 3.329 262 HA ASP 31 HA ASP 31 4.456 11.487 1.690 263 1HB ASP 31 HB2 ASP 31 5.128 13.753 2.296 264 2HB ASP 31 HB1 ASP 31 5.249 13.291 3.991 265 H LEU 32 HN LEU 32 4.115 11.579 5.222 266 HA LEU 32 HA LEU 32 5.804 9.394 5.772 267 1HB LEU 32 HB2 LEU 32 5.134 11.012 7.478 268 2HB LEU 32 HB1 LEU 32 3.468 10.484 7.346 269 HG LEU 32 HG LEU 32 4.118 8.261 8.206 270 1HD1 LEU 32 HD11 LEU 32 6.821 9.538 8.578 271 2HD1 LEU 32 HD12 LEU 32 6.429 8.227 7.465 272 3HD1 LEU 32 HD13 LEU 32 6.329 7.965 9.206 273 1HD2 LEU 32 HD21 LEU 32 4.916 10.592 9.941 274 2HD2 LEU 32 HD22 LEU 32 4.518 8.973 10.516 275 3HD2 LEU 32 HD23 LEU 32 3.284 9.958 9.729 276 H ALA 33 HN ALA 33 2.326 9.642 5.225 277 HA ALA 33 HA ALA 33 1.576 7.034 5.829 278 1HB ALA 33 HB1 ALA 33 -0.027 8.833 5.443 279 2HB ALA 33 HB2 ALA 33 -0.382 7.441 4.420 280 3HB ALA 33 HB3 ALA 33 0.406 8.862 3.733 281 H LEU 34 HN LEU 34 2.476 8.399 2.658 282 HA LEU 34 HA LEU 34 2.235 5.989 1.232 283 1HB LEU 34 HB2 LEU 34 3.931 8.421 0.656 284 2HB LEU 34 HB1 LEU 34 3.657 7.114 -0.480 285 HG LEU 34 HG LEU 34 1.533 8.946 0.636 286 1HD1 LEU 34 HD11 LEU 34 2.995 10.081 -0.939 287 2HD1 LEU 34 HD12 LEU 34 1.404 9.807 -1.653 288 3HD1 LEU 34 HD13 LEU 34 2.766 8.783 -2.110 289 1HD2 LEU 34 HD21 LEU 34 1.355 6.748 -1.419 290 2HD2 LEU 34 HD22 LEU 34 0.058 7.862 -0.988 291 3HD2 LEU 34 HD23 LEU 34 0.668 6.715 0.205 292 H MET 35 HN MET 35 4.985 7.458 2.903 293 HA MET 35 HA MET 35 6.934 5.637 2.002 294 1HB MET 35 HB2 MET 35 7.422 7.821 3.102 295 2HB MET 35 HB1 MET 35 6.904 7.128 4.631 296 1HG MET 35 HG2 MET 35 8.693 5.513 4.553 297 2HG MET 35 HG1 MET 35 9.179 6.090 2.961 298 1HE MET 35 HE1 MET 35 8.020 8.180 6.099 299 2HE MET 35 HE2 MET 35 9.574 8.549 6.847 300 3HE MET 35 HE3 MET 35 8.994 6.884 6.789 301 H CYS 36 HN CYS 36 4.739 5.564 4.769 302 HA CYS 36 HA CYS 36 5.814 3.152 5.866 303 1HB CYS 36 HB2 CYS 36 3.093 4.410 6.296 304 2HB CYS 36 HB1 CYS 36 3.817 3.152 7.291 305 HG CYS 36 HG CYS 36 4.830 6.401 7.009 306 H LEU 37 HN LEU 37 3.006 3.934 3.845 307 HA LEU 37 HA LEU 37 1.947 1.347 3.678 308 1HB LEU 37 HB2 LEU 37 1.784 3.649 1.736 309 2HB LEU 37 HB1 LEU 37 0.859 2.170 1.574 310 HG LEU 37 HG LEU 37 0.666 4.072 3.912 311 1HD1 LEU 37 HD11 LEU 37 -1.207 3.638 1.595 312 2HD1 LEU 37 HD12 LEU 37 -0.205 5.063 1.858 313 3HD1 LEU 37 HD13 LEU 37 -1.505 4.677 2.984 314 1HD2 LEU 37 HD21 LEU 37 -1.311 2.746 4.504 315 2HD2 LEU 37 HD22 LEU 37 0.159 1.771 4.523 316 3HD2 LEU 37 HD23 LEU 37 -0.965 1.646 3.170 317 H GLY 38 HN GLY 38 4.320 3.002 1.624 318 1HA GLY 38 HA2 GLY 38 4.582 1.078 -0.377 319 2HA GLY 38 HA1 GLY 38 5.860 2.170 0.137 320 H ASN 39 HN ASN 39 6.240 1.297 2.743 321 HA ASN 39 HA ASN 39 7.869 -0.993 2.327 322 1HB ASN 39 HB2 ASN 39 7.121 0.629 4.736 323 2HB ASN 39 HB1 ASN 39 7.964 -0.905 4.938 324 1HD2 ASN 39 HD21 ASN 39 8.188 2.364 3.788 325 2HD2 ASN 39 HD22 ASN 39 9.904 2.372 3.571 326 H ALA 40 HN ALA 40 4.709 -0.469 3.798 327 HA ALA 40 HA ALA 40 4.353 -3.066 4.829 328 1HB ALA 40 HB1 ALA 40 1.971 -2.521 4.887 329 2HB ALA 40 HB2 ALA 40 2.266 -1.105 3.877 330 3HB ALA 40 HB3 ALA 40 2.949 -1.190 5.500 331 H VAL 41 HN VAL 41 3.393 -1.624 1.718 332 HA VAL 41 HA VAL 41 2.171 -3.883 0.604 333 HB VAL 41 HB VAL 41 3.709 -1.711 -0.839 334 1HG1 VAL 41 HG11 VAL 41 1.673 -3.678 -1.880 335 2HG1 VAL 41 HG12 VAL 41 3.398 -3.663 -2.254 336 3HG1 VAL 41 HG13 VAL 41 2.367 -2.338 -2.795 337 1HG2 VAL 41 HG21 VAL 41 1.896 -0.806 0.510 338 2HG2 VAL 41 HG22 VAL 41 0.768 -1.946 -0.219 339 3HG2 VAL 41 HG23 VAL 41 1.510 -0.690 -1.208 340 H THR 42 HN THR 42 5.534 -2.767 0.369 341 HA THR 42 HA THR 42 6.507 -4.805 -1.267 342 HB THR 42 HB THR 42 8.026 -3.313 0.883 343 HG1 THR 42 HG1 THR 42 7.153 -1.792 -0.486 344 1HG2 THR 42 HG21 THR 42 8.971 -4.684 -1.637 345 2HG2 THR 42 HG22 THR 42 9.261 -5.228 0.014 346 3HG2 THR 42 HG23 THR 42 9.980 -3.722 -0.557 347 H ASN 43 HN ASN 43 6.083 -4.673 2.231 348 HA ASN 43 HA ASN 43 7.491 -7.067 2.816 349 1HB ASN 43 HB2 ASN 43 6.969 -5.292 4.492 350 2HB ASN 43 HB1 ASN 43 5.276 -5.766 4.415 351 1HD2 ASN 43 HD21 ASN 43 5.211 -6.326 6.580 352 2HD2 ASN 43 HD22 ASN 43 5.990 -7.739 7.196 353 H ILE 44 HN ILE 44 4.147 -6.334 2.013 354 HA ILE 44 HA ILE 44 3.148 -8.956 2.533 355 HB ILE 44 HB ILE 44 2.000 -6.732 0.839 356 1HG1 ILE 44 HG12 ILE 44 2.195 -6.126 3.184 357 2HG1 ILE 44 HG11 ILE 44 0.504 -6.393 2.777 358 1HG2 ILE 44 HG21 ILE 44 0.717 -9.293 1.780 359 2HG2 ILE 44 HG22 ILE 44 1.086 -8.851 0.112 360 3HG2 ILE 44 HG23 ILE 44 -0.134 -7.952 1.016 361 1HD1 ILE 44 HD11 ILE 44 2.297 -8.348 4.204 362 2HD1 ILE 44 HD12 ILE 44 0.590 -8.590 3.827 363 3HD1 ILE 44 HD13 ILE 44 1.073 -7.322 4.955 364 H ILE 45 HN ILE 45 4.207 -7.242 -0.383 365 HA ILE 45 HA ILE 45 3.611 -9.311 -2.208 366 HB ILE 45 HB ILE 45 5.730 -7.166 -2.459 367 1HG1 ILE 45 HG12 ILE 45 2.853 -7.210 -3.393 368 2HG1 ILE 45 HG11 ILE 45 3.483 -6.246 -2.061 369 1HG2 ILE 45 HG21 ILE 45 6.092 -8.943 -4.057 370 2HG2 ILE 45 HG22 ILE 45 5.465 -7.520 -4.887 371 3HG2 ILE 45 HG23 ILE 45 4.401 -8.887 -4.549 372 1HD1 ILE 45 HD11 ILE 45 4.244 -5.984 -4.959 373 2HD1 ILE 45 HD12 ILE 45 4.910 -5.031 -3.635 374 3HD1 ILE 45 HD13 ILE 45 3.200 -4.894 -4.047 375 H ALA 46 HN ALA 46 6.321 -8.745 -0.087 376 HA ALA 46 HA ALA 46 8.150 -10.543 -1.279 377 1HB ALA 46 HB1 ALA 46 9.352 -10.427 0.835 378 2HB ALA 46 HB2 ALA 46 7.954 -9.670 1.600 379 3HB ALA 46 HB3 ALA 46 8.827 -8.823 0.321 380 H GLN 47 HN GLN 47 5.321 -11.037 0.596 381 HA GLN 47 HA GLN 47 6.097 -13.692 1.485 382 1HB GLN 47 HB2 GLN 47 3.426 -12.293 1.714 383 2HB GLN 47 HB1 GLN 47 3.922 -13.748 2.571 384 1HG GLN 47 HG2 GLN 47 5.570 -12.518 3.812 385 2HG GLN 47 HG1 GLN 47 5.252 -11.066 2.867 386 1HE2 GLN 47 HE21 GLN 47 4.720 -9.846 4.616 387 2HE2 GLN 47 HE22 GLN 47 3.259 -10.066 5.514 388 H VAL 48 HN VAL 48 4.814 -12.252 -1.246 389 HA VAL 48 HA VAL 48 3.111 -14.422 -2.110 390 HB VAL 48 HB VAL 48 4.209 -12.101 -3.719 391 1HG1 VAL 48 HG11 VAL 48 3.359 -13.848 -5.140 392 2HG1 VAL 48 HG12 VAL 48 2.227 -12.494 -5.149 393 3HG1 VAL 48 HG13 VAL 48 1.868 -13.936 -4.201 394 1HG2 VAL 48 HG21 VAL 48 2.975 -11.290 -1.767 395 2HG2 VAL 48 HG22 VAL 48 1.586 -12.270 -2.240 396 3HG2 VAL 48 HG23 VAL 48 2.120 -10.941 -3.270 397 HA PRO 49 HA PRO 49 6.291 -17.074 -3.929 398 1HB PRO 49 HB2 PRO 49 4.145 -17.255 -6.013 399 2HB PRO 49 HB1 PRO 49 5.107 -18.544 -5.278 400 1HG PRO 49 HG2 PRO 49 2.590 -18.115 -4.511 401 2HG PRO 49 HG1 PRO 49 3.840 -18.560 -3.334 402 1HD PRO 49 HD2 PRO 49 2.523 -15.939 -3.797 403 2HD PRO 49 HD1 PRO 49 3.208 -16.615 -2.306 404 H GLU 50 HN GLU 50 7.947 -16.529 -5.252 405 HA GLU 50 HA GLU 50 8.018 -13.903 -6.226 406 1HB GLU 50 HB2 GLU 50 9.965 -15.333 -5.423 407 2HB GLU 50 HB1 GLU 50 9.975 -16.044 -7.033 408 1HG GLU 50 HG2 GLU 50 10.398 -13.882 -8.026 409 2HG GLU 50 HG1 GLU 50 10.276 -13.105 -6.450 410 H SER 51 HN SER 51 7.263 -16.898 -7.878 411 HA SER 51 HA SER 51 7.680 -15.999 -10.515 412 1HB SER 51 HB2 SER 51 5.780 -18.098 -9.451 413 2HB SER 51 HB1 SER 51 6.148 -17.855 -11.161 414 HG SER 51 HG SER 51 8.440 -18.108 -10.400 415 H LYS 52 HN LYS 52 5.001 -15.525 -8.295 416 HA LYS 52 HA LYS 52 3.671 -13.952 -10.403 417 1HB LYS 52 HB2 LYS 52 1.582 -14.196 -9.138 418 2HB LYS 52 HB1 LYS 52 2.243 -15.754 -9.602 419 1HG LYS 52 HG2 LYS 52 3.126 -16.037 -7.324 420 2HG LYS 52 HG1 LYS 52 2.406 -14.491 -6.870 421 1HD LYS 52 HD2 LYS 52 0.850 -16.845 -7.942 422 2HD LYS 52 HD1 LYS 52 1.042 -16.482 -6.227 423 1HE LYS 52 HE2 LYS 52 -0.114 -14.512 -8.187 424 2HE LYS 52 HE1 LYS 52 -1.106 -15.690 -7.330 425 1HZ LYS 52 HZ1 LYS 52 0.571 -13.576 -6.091 426 2HZ LYS 52 HZ2 LYS 52 -0.290 -14.751 -5.231 427 3HZ LYS 52 HZ3 LYS 52 -1.122 -13.600 -6.159 428 H ARG 53 HN ARG 53 5.793 -13.517 -8.141 429 HA ARG 53 HA ARG 53 4.689 -11.417 -6.535 430 1HB ARG 53 HB2 ARG 53 6.582 -12.824 -5.797 431 2HB ARG 53 HB1 ARG 53 7.571 -12.159 -7.086 432 1HG ARG 53 HG2 ARG 53 7.447 -9.955 -6.070 433 2HG ARG 53 HG1 ARG 53 6.410 -10.597 -4.795 434 1HD ARG 53 HD2 ARG 53 9.248 -11.442 -5.366 435 2HD ARG 53 HD1 ARG 53 8.723 -10.410 -4.035 436 HE ARG 53 HE ARG 53 7.252 -12.662 -3.699 437 1HH1 ARG 53 HH11 ARG 53 10.693 -12.044 -4.011 438 2HH1 ARG 53 HH12 ARG 53 11.143 -13.454 -3.094 439 1HH2 ARG 53 HH21 ARG 53 7.856 -14.502 -2.515 440 2HH2 ARG 53 HH22 ARG 53 9.539 -14.855 -2.254 441 H VAL 54 HN VAL 54 6.765 -11.585 -9.393 442 HA VAL 54 HA VAL 54 7.046 -8.788 -9.747 443 HB VAL 54 HB VAL 54 7.144 -10.934 -11.878 444 1HG1 VAL 54 HG11 VAL 54 8.599 -9.373 -13.072 445 2HG1 VAL 54 HG12 VAL 54 8.383 -8.185 -11.788 446 3HG1 VAL 54 HG13 VAL 54 7.007 -8.671 -12.780 447 1HG2 VAL 54 HG21 VAL 54 9.365 -9.871 -10.134 448 2HG2 VAL 54 HG22 VAL 54 9.562 -10.997 -11.476 449 3HG2 VAL 54 HG23 VAL 54 8.656 -11.483 -10.044 450 H ALA 55 HN ALA 55 4.620 -11.118 -10.634 451 HA ALA 55 HA ALA 55 3.236 -9.554 -12.541 452 1HB ALA 55 HB1 ALA 55 1.427 -11.164 -12.259 453 2HB ALA 55 HB2 ALA 55 2.212 -11.802 -10.815 454 3HB ALA 55 HB3 ALA 55 2.985 -11.979 -12.389 455 H VAL 56 HN VAL 56 2.604 -10.184 -9.088 456 HA VAL 56 HA VAL 56 0.285 -8.594 -8.987 457 HB VAL 56 HB VAL 56 0.508 -8.674 -6.525 458 1HG1 VAL 56 HG11 VAL 56 0.918 -11.294 -7.955 459 2HG1 VAL 56 HG12 VAL 56 -0.617 -10.465 -7.698 460 3HG1 VAL 56 HG13 VAL 56 0.279 -11.111 -6.322 461 1HG2 VAL 56 HG21 VAL 56 3.067 -10.171 -7.082 462 2HG2 VAL 56 HG22 VAL 56 2.297 -9.990 -5.506 463 3HG2 VAL 56 HG23 VAL 56 2.940 -8.576 -6.342 464 H VAL 57 HN VAL 57 3.687 -7.780 -8.398 465 HA VAL 57 HA VAL 57 3.066 -5.214 -7.306 466 HB VAL 57 HB VAL 57 5.198 -6.318 -6.792 467 1HG1 VAL 57 HG11 VAL 57 5.911 -5.745 -9.664 468 2HG1 VAL 57 HG12 VAL 57 5.673 -7.337 -8.943 469 3HG1 VAL 57 HG13 VAL 57 7.020 -6.327 -8.425 470 1HG2 VAL 57 HG21 VAL 57 6.654 -4.354 -7.061 471 2HG2 VAL 57 HG22 VAL 57 5.039 -3.926 -6.498 472 3HG2 VAL 57 HG23 VAL 57 5.486 -3.660 -8.183 473 H ASP 58 HN ASP 58 3.726 -6.416 -10.546 474 HA ASP 58 HA ASP 58 4.067 -3.858 -11.744 475 1HB ASP 58 HB2 ASP 58 4.248 -6.530 -12.599 476 2HB ASP 58 HB1 ASP 58 2.985 -5.799 -13.585 477 H ASN 59 HN ASN 59 1.318 -6.071 -11.423 478 HA ASN 59 HA ASN 59 -0.573 -4.419 -12.717 479 1HB ASN 59 HB2 ASN 59 -0.855 -6.618 -10.672 480 2HB ASN 59 HB1 ASN 59 -2.251 -5.765 -11.324 481 1HD2 ASN 59 HD21 ASN 59 -1.491 -8.584 -11.550 482 2HD2 ASN 59 HD22 ASN 59 -1.395 -8.903 -13.247 483 H PHE 60 HN PHE 60 0.524 -4.664 -9.394 484 HA PHE 60 HA PHE 60 -1.277 -2.949 -8.135 485 1HB PHE 60 HB2 PHE 60 0.531 -4.430 -7.095 486 2HB PHE 60 HB1 PHE 60 1.666 -3.144 -7.483 487 HD1 PHE 60 HD2 PHE 60 -1.134 -4.145 -5.366 488 HD2 PHE 60 HD1 PHE 60 1.670 -1.076 -6.255 489 HE1 PHE 60 HE2 PHE 60 -1.669 -3.044 -3.234 490 HE2 PHE 60 HE1 PHE 60 1.144 0.029 -4.122 491 HZ PHE 60 HZ PHE 60 -0.530 -0.953 -2.608 492 H THR 61 HN THR 61 1.901 -2.235 -9.573 493 HA THR 61 HA THR 61 1.825 0.525 -9.013 494 HB THR 61 HB THR 61 3.667 0.666 -10.744 495 HG1 THR 61 HG1 THR 61 2.788 -1.409 -11.784 496 1HG2 THR 61 HG21 THR 61 4.159 0.370 -8.388 497 2HG2 THR 61 HG22 THR 61 5.269 -0.605 -9.356 498 3HG2 THR 61 HG23 THR 61 3.913 -1.375 -8.532 499 H LYS 62 HN LYS 62 0.811 -1.343 -11.829 500 HA LYS 62 HA LYS 62 0.356 0.849 -13.557 501 1HB LYS 62 HB2 LYS 62 0.522 -1.435 -14.387 502 2HB LYS 62 HB1 LYS 62 -0.917 -1.892 -13.488 503 1HG LYS 62 HG2 LYS 62 -2.265 -0.400 -14.870 504 2HG LYS 62 HG1 LYS 62 -0.822 0.075 -15.767 505 1HD LYS 62 HD2 LYS 62 -0.512 -2.211 -16.524 506 2HD LYS 62 HD1 LYS 62 -1.903 -2.733 -15.573 507 1HE LYS 62 HE2 LYS 62 -2.000 -0.731 -17.823 508 2HE LYS 62 HE1 LYS 62 -2.418 -2.437 -17.976 509 1HZ LYS 62 HZ1 LYS 62 -3.777 -0.514 -16.162 510 2HZ LYS 62 HZ2 LYS 62 -4.213 -2.130 -16.417 511 3HZ LYS 62 HZ3 LYS 62 -4.361 -1.000 -17.674 512 H ALA 63 HN ALA 63 -1.845 -1.017 -11.486 513 HA ALA 63 HA ALA 63 -4.194 0.377 -12.059 514 1HB ALA 63 HB1 ALA 63 -4.113 -1.786 -10.883 515 2HB ALA 63 HB2 ALA 63 -5.092 -0.593 -10.032 516 3HB ALA 63 HB3 ALA 63 -3.466 -0.968 -9.460 517 H LEU 64 HN LEU 64 -1.724 0.949 -9.594 518 HA LEU 64 HA LEU 64 -2.918 3.025 -8.192 519 1HB LEU 64 HB2 LEU 64 -0.122 2.197 -8.738 520 2HB LEU 64 HB1 LEU 64 -0.360 3.820 -8.123 521 HG LEU 64 HG LEU 64 -1.352 1.318 -6.755 522 1HD1 LEU 64 HD11 LEU 64 1.086 1.397 -6.809 523 2HD1 LEU 64 HD12 LEU 64 0.474 1.696 -5.182 524 3HD1 LEU 64 HD13 LEU 64 1.050 3.040 -6.168 525 1HD2 LEU 64 HD21 LEU 64 -2.685 3.247 -6.195 526 2HD2 LEU 64 HD22 LEU 64 -1.232 4.209 -5.906 527 3HD2 LEU 64 HD23 LEU 64 -1.626 2.861 -4.835 528 H LYS 65 HN LYS 65 -0.687 3.307 -10.960 529 HA LYS 65 HA LYS 65 -0.670 6.098 -10.963 530 1HB LYS 65 HB2 LYS 65 -0.150 4.250 -13.293 531 2HB LYS 65 HB1 LYS 65 0.335 5.938 -13.187 532 1HG LYS 65 HG2 LYS 65 1.682 5.326 -11.164 533 2HG LYS 65 HG1 LYS 65 1.327 3.638 -11.522 534 1HD LYS 65 HD2 LYS 65 3.454 4.093 -12.454 535 2HD LYS 65 HD1 LYS 65 2.319 4.037 -13.805 536 1HE LYS 65 HE2 LYS 65 2.229 6.460 -13.866 537 2HE LYS 65 HE1 LYS 65 3.274 6.558 -12.449 538 1HZ LYS 65 HZ1 LYS 65 3.985 5.616 -15.167 539 2HZ LYS 65 HZ2 LYS 65 4.968 5.337 -13.817 540 3HZ LYS 65 HZ3 LYS 65 4.639 6.924 -14.305 541 H GLN 66 HN GLN 66 -2.665 3.866 -12.935 542 HA GLN 66 HA GLN 66 -3.846 6.034 -14.371 543 1HB GLN 66 HB2 GLN 66 -5.479 4.312 -15.181 544 2HB GLN 66 HB1 GLN 66 -3.788 3.960 -15.498 545 1HG GLN 66 HG2 GLN 66 -3.746 2.396 -13.643 546 2HG GLN 66 HG1 GLN 66 -5.428 2.775 -13.271 547 1HE2 GLN 66 HE21 GLN 66 -6.258 2.961 -16.016 548 2HE2 GLN 66 HE22 GLN 66 -6.290 1.349 -16.644 549 H SER 67 HN SER 67 -4.669 4.404 -11.391 550 HA SER 67 HA SER 67 -7.359 5.471 -11.367 551 1HB SER 67 HB2 SER 67 -5.823 4.094 -9.154 552 2HB SER 67 HB1 SER 67 -7.560 4.409 -9.180 553 HG SER 67 HG SER 67 -6.043 2.559 -10.647 554 H VAL 68 HN VAL 68 -4.252 6.544 -10.445 555 HA VAL 68 HA VAL 68 -5.281 8.511 -8.559 556 HB VAL 68 HB VAL 68 -2.482 7.897 -9.508 557 1HG1 VAL 68 HG11 VAL 68 -3.355 10.037 -7.572 558 2HG1 VAL 68 HG12 VAL 68 -2.660 10.304 -9.170 559 3HG1 VAL 68 HG13 VAL 68 -1.688 9.565 -7.899 560 1HG2 VAL 68 HG21 VAL 68 -3.372 6.311 -7.912 561 2HG2 VAL 68 HG22 VAL 68 -3.852 7.623 -6.836 562 3HG2 VAL 68 HG23 VAL 68 -2.143 7.308 -7.133 563 H LEU 69 HN LEU 69 -3.821 8.401 -11.789 564 HA LEU 69 HA LEU 69 -3.644 11.184 -12.166 565 1HB LEU 69 HB2 LEU 69 -3.903 8.947 -14.171 566 2HB LEU 69 HB1 LEU 69 -3.573 10.614 -14.607 567 HG LEU 69 HG LEU 69 -1.799 8.867 -12.896 568 1HD1 LEU 69 HD11 LEU 69 -1.487 9.803 -15.743 569 2HD1 LEU 69 HD12 LEU 69 -1.813 8.152 -15.213 570 3HD1 LEU 69 HD13 LEU 69 -0.278 8.922 -14.808 571 1HD2 LEU 69 HD21 LEU 69 -0.180 10.686 -13.094 572 2HD2 LEU 69 HD22 LEU 69 -1.650 11.223 -12.280 573 3HD2 LEU 69 HD23 LEU 69 -1.369 11.653 -13.968 574 H GLU 70 HN GLU 70 -6.255 8.904 -12.783 575 HA GLU 70 HA GLU 70 -7.939 11.059 -13.811 576 1HB GLU 70 HB2 GLU 70 -8.366 8.082 -13.577 577 2HB GLU 70 HB1 GLU 70 -9.609 9.197 -14.126 578 1HG GLU 70 HG2 GLU 70 -8.164 9.870 -15.987 579 2HG GLU 70 HG1 GLU 70 -6.946 8.714 -15.447 580 H HIS 71 HN HIS 71 -7.044 10.605 -10.881 581 HA HIS 71 HA HIS 71 -9.565 9.965 -9.608 582 1HB HIS 71 HB2 HIS 71 -7.164 9.344 -8.779 583 2HB HIS 71 HB1 HIS 71 -7.196 10.960 -8.079 584 HD1 HIS 71 HD1 HIS 71 -8.028 7.575 -7.323 585 HD2 HIS 71 HD2 HIS 71 -9.642 11.280 -6.362 586 HE1 HIS 71 HE1 HIS 71 -9.488 7.175 -5.311 587 HE2 HIS 71 HE2 HIS 71 -10.634 9.388 -4.900 588 H HIS 72 HN HIS 72 -10.488 11.876 -10.791 589 HA HIS 72 HA HIS 72 -10.579 14.049 -8.809 590 1HB HIS 72 HB2 HIS 72 -10.622 14.256 -11.809 591 2HB HIS 72 HB1 HIS 72 -11.429 15.469 -10.825 592 HD1 HIS 72 HD1 HIS 72 -10.029 17.417 -10.271 593 HD2 HIS 72 HD2 HIS 72 -7.729 14.020 -10.973 594 HE1 HIS 72 HE1 HIS 72 -7.636 18.173 -10.124 595 HE2 HIS 72 HE2 HIS 72 -6.263 16.147 -10.735 596 H HIS 73 HN HIS 73 -12.542 13.516 -11.674 597 HA HIS 73 HA HIS 73 -14.664 12.263 -10.151 598 1HB HIS 73 HB2 HIS 73 -14.906 15.008 -11.352 599 2HB HIS 73 HB1 HIS 73 -16.304 13.942 -11.321 600 HD1 HIS 73 HD1 HIS 73 -17.163 13.215 -8.922 601 HD2 HIS 73 HD2 HIS 73 -14.335 16.266 -8.977 602 HE1 HIS 73 HE1 HIS 73 -17.287 14.296 -6.652 603 HE2 HIS 73 HE2 HIS 73 -15.430 16.003 -6.647 604 H HIS 74 HN HIS 74 -16.181 11.221 -11.489 605 HA HIS 74 HA HIS 74 -15.783 11.408 -14.364 606 1HB HIS 74 HB2 HIS 74 -15.286 8.949 -12.749 607 2HB HIS 74 HB1 HIS 74 -16.099 8.760 -14.297 608 HD1 HIS 74 HD1 HIS 74 -14.719 9.862 -16.401 609 HD2 HIS 74 HD2 HIS 74 -12.579 9.002 -12.940 610 HE1 HIS 74 HE1 HIS 74 -12.309 9.781 -17.097 611 HE2 HIS 74 HE2 HIS 74 -11.076 9.002 -15.052 612 H HIS 75 HN HIS 75 -17.765 12.450 -14.417 613 HA HIS 75 HA HIS 75 -20.107 11.080 -13.437 614 1HB HIS 75 HB2 HIS 75 -21.405 12.883 -14.546 615 2HB HIS 75 HB1 HIS 75 -20.189 13.506 -13.445 616 HD1 HIS 75 HD1 HIS 75 -21.215 13.489 -17.016 617 HD2 HIS 75 HD2 HIS 75 -18.054 14.895 -14.701 618 HE1 HIS 75 HE1 HIS 75 -19.980 15.133 -18.472 619 HE2 HIS 75 HE2 HIS 75 -18.136 16.049 -17.019 620 H HIS 76 HN HIS 76 -20.613 9.253 -14.367 621 HA HIS 76 HA HIS 76 -20.138 8.963 -17.256 622 1HB HIS 76 HB2 HIS 76 -18.705 7.602 -15.712 623 2HB HIS 76 HB1 HIS 76 -20.161 6.801 -15.141 624 HD1 HIS 76 HD1 HIS 76 -20.025 4.512 -16.050 625 HD2 HIS 76 HD2 HIS 76 -19.026 7.373 -18.893 626 HE1 HIS 76 HE1 HIS 76 -19.628 3.237 -18.178 627 HE2 HIS 76 HE2 HIS 76 -18.828 4.968 -19.823 628 1H MET 1 HT1 MET 1 25.065 18.340 5.414 629 2H MET 1 HT2 MET 1 24.073 17.111 6.024 630 3H MET 1 HT3 MET 1 24.966 18.086 7.087 631 HA MET 1 HA MET 1 23.697 20.027 6.361 632 1HB MET 1 HB2 MET 1 23.099 19.053 4.137 633 2HB MET 1 HB1 MET 1 21.992 17.958 4.953 634 1HG MET 1 HG2 MET 1 20.645 19.815 5.699 635 2HG MET 1 HG1 MET 1 21.791 20.960 5.005 636 1HE MET 1 HE1 MET 1 18.664 21.320 2.654 637 2HE MET 1 HE2 MET 1 19.799 22.170 3.703 638 3HE MET 1 HE3 MET 1 18.648 21.025 4.392 639 HA PRO 2 HA PRO 2 21.942 19.001 10.281 640 1HB PRO 2 HB2 PRO 2 20.259 21.399 9.793 641 2HB PRO 2 HB1 PRO 2 21.312 21.019 11.162 642 1HG PRO 2 HG2 PRO 2 22.048 22.813 9.340 643 2HG PRO 2 HG1 PRO 2 23.228 21.693 10.042 644 1HD PRO 2 HD2 PRO 2 21.911 21.624 7.361 645 2HD PRO 2 HD1 PRO 2 23.580 21.217 7.810 646 H ILE 3 HN ILE 3 19.835 19.785 7.557 647 HA ILE 3 HA ILE 3 17.494 18.689 8.792 648 HB ILE 3 HB ILE 3 17.965 19.272 5.860 649 1HG1 ILE 3 HG12 ILE 3 16.710 20.978 8.026 650 2HG1 ILE 3 HG11 ILE 3 18.258 21.277 7.246 651 1HG2 ILE 3 HG21 ILE 3 16.105 17.751 6.217 652 2HG2 ILE 3 HG22 ILE 3 15.508 19.337 5.724 653 3HG2 ILE 3 HG23 ILE 3 15.413 18.844 7.416 654 1HD1 ILE 3 HD11 ILE 3 15.558 21.338 5.920 655 2HD1 ILE 3 HD12 ILE 3 17.103 21.596 5.110 656 3HD1 ILE 3 HD13 ILE 3 16.556 22.729 6.345 657 H VAL 4 HN VAL 4 18.241 16.656 9.449 658 HA VAL 4 HA VAL 4 18.117 14.657 7.297 659 HB VAL 4 HB VAL 4 20.471 14.957 8.126 660 1HG1 VAL 4 HG11 VAL 4 19.981 15.471 10.456 661 2HG1 VAL 4 HG12 VAL 4 21.079 14.098 10.327 662 3HG1 VAL 4 HG13 VAL 4 19.375 13.833 10.699 663 1HG2 VAL 4 HG21 VAL 4 20.943 12.569 8.385 664 2HG2 VAL 4 HG22 VAL 4 19.782 12.867 7.093 665 3HG2 VAL 4 HG23 VAL 4 19.229 12.259 8.653 666 H SER 5 HN SER 5 16.630 15.955 9.830 667 HA SER 5 HA SER 5 15.935 13.669 11.401 668 1HB SER 5 HB2 SER 5 14.359 16.235 11.329 669 2HB SER 5 HB1 SER 5 14.654 15.152 12.690 670 HG SER 5 HG SER 5 16.918 15.793 12.505 671 H LYS 6 HN LYS 6 15.187 12.224 9.743 672 HA LYS 6 HA LYS 6 12.742 13.008 8.363 673 1HB LYS 6 HB2 LYS 6 14.434 10.521 8.051 674 2HB LYS 6 HB1 LYS 6 13.020 10.914 7.083 675 1HG LYS 6 HG2 LYS 6 14.207 13.005 6.369 676 2HG LYS 6 HG1 LYS 6 15.646 12.372 7.169 677 1HD LYS 6 HD2 LYS 6 14.135 10.996 4.949 678 2HD LYS 6 HD1 LYS 6 15.625 11.917 4.745 679 1HE LYS 6 HE2 LYS 6 16.787 10.343 6.226 680 2HE LYS 6 HE1 LYS 6 15.295 9.420 6.409 681 1HZ LYS 6 HZ1 LYS 6 16.760 8.433 4.749 682 2HZ LYS 6 HZ2 LYS 6 16.746 9.874 3.853 683 3HZ LYS 6 HZ3 LYS 6 15.321 8.977 4.031 684 H TYR 7 HN TYR 7 11.530 13.061 10.315 685 HA TYR 7 HA TYR 7 9.812 12.281 11.555 686 1HB TYR 7 HB2 TYR 7 10.127 9.782 9.883 687 2HB TYR 7 HB1 TYR 7 8.759 10.138 10.932 688 HD1 TYR 7 HD1 TYR 7 7.243 12.039 10.362 689 HD2 TYR 7 HD2 TYR 7 10.280 10.705 7.702 690 HE1 TYR 7 HE1 TYR 7 6.122 13.196 8.508 691 HE2 TYR 7 HE2 TYR 7 9.168 11.858 5.844 692 HH TYR 7 HH TYR 7 7.117 12.759 5.193 693 H SER 8 HN SER 8 9.142 10.112 12.832 694 HA SER 8 HA SER 8 11.521 9.326 14.358 695 1HB SER 8 HB2 SER 8 9.782 8.794 16.157 696 2HB SER 8 HB1 SER 8 10.035 10.499 15.787 697 HG SER 8 HG SER 8 7.760 9.460 15.879 698 H ASN 9 HN ASN 9 12.168 7.277 14.159 699 HA ASN 9 HA ASN 9 10.794 5.471 12.474 700 1HB ASN 9 HB2 ASN 9 12.525 3.857 13.008 701 2HB ASN 9 HB1 ASN 9 13.254 5.435 12.754 702 1HD2 ASN 9 HD21 ASN 9 12.653 2.883 14.992 703 2HD2 ASN 9 HD22 ASN 9 13.592 3.531 16.295 704 H GLU 10 HN GLU 10 10.711 6.039 15.894 705 HA GLU 10 HA GLU 10 9.558 3.691 16.839 706 1HB GLU 10 HB2 GLU 10 8.626 6.437 17.690 707 2HB GLU 10 HB1 GLU 10 8.645 4.964 18.645 708 1HG GLU 10 HG2 GLU 10 10.425 6.114 19.520 709 2HG GLU 10 HG1 GLU 10 11.224 5.109 18.313 710 H ARG 11 HN ARG 11 7.921 6.583 15.599 711 HA ARG 11 HA ARG 11 5.335 5.431 15.602 712 1HB ARG 11 HB2 ARG 11 5.425 7.786 15.715 713 2HB ARG 11 HB1 ARG 11 6.504 7.894 14.329 714 1HG ARG 11 HG2 ARG 11 4.752 7.322 12.822 715 2HG ARG 11 HG1 ARG 11 3.664 6.916 14.152 716 1HD ARG 11 HD2 ARG 11 4.811 9.664 13.968 717 2HD ARG 11 HD1 ARG 11 3.456 9.215 12.934 718 HE ARG 11 HE ARG 11 2.967 8.542 15.661 719 1HH1 ARG 11 HH11 ARG 11 3.091 11.272 13.470 720 2HH1 ARG 11 HH12 ARG 11 1.804 12.138 14.265 721 1HH2 ARG 11 HH21 ARG 11 1.314 9.698 16.756 722 2HH2 ARG 11 HH22 ARG 11 0.807 11.248 16.145 723 H VAL 12 HN VAL 12 7.714 5.999 13.007 724 HA VAL 12 HA VAL 12 6.153 5.231 10.845 725 HB VAL 12 HB VAL 12 9.131 4.835 11.194 726 1HG1 VAL 12 HG11 VAL 12 9.229 4.790 8.744 727 2HG1 VAL 12 HG12 VAL 12 7.469 4.844 8.674 728 3HG1 VAL 12 HG13 VAL 12 8.282 3.446 9.378 729 1HG2 VAL 12 HG21 VAL 12 8.429 7.158 11.455 730 2HG2 VAL 12 HG22 VAL 12 7.566 7.079 9.916 731 3HG2 VAL 12 HG23 VAL 12 9.325 6.937 9.951 732 H GLU 13 HN GLU 13 8.318 3.163 12.790 733 HA GLU 13 HA GLU 13 7.684 0.786 11.376 734 1HB GLU 13 HB2 GLU 13 9.742 1.138 12.769 735 2HB GLU 13 HB1 GLU 13 8.731 1.020 14.203 736 1HG GLU 13 HG2 GLU 13 8.134 -1.259 13.629 737 2HG GLU 13 HG1 GLU 13 9.070 -1.143 12.139 738 H LYS 14 HN LYS 14 6.315 2.386 14.176 739 HA LYS 14 HA LYS 14 4.691 0.276 15.101 740 1HB LYS 14 HB2 LYS 14 5.255 2.549 16.220 741 2HB LYS 14 HB1 LYS 14 3.896 3.170 15.290 742 1HG LYS 14 HG2 LYS 14 2.559 1.248 16.344 743 2HG LYS 14 HG1 LYS 14 3.895 1.146 17.492 744 1HD LYS 14 HD2 LYS 14 2.388 2.570 18.547 745 2HD LYS 14 HD1 LYS 14 3.535 3.683 17.796 746 1HE LYS 14 HE2 LYS 14 1.318 4.491 17.382 747 2HE LYS 14 HE1 LYS 14 1.979 3.880 15.866 748 1HZ LYS 14 HZ1 LYS 14 -0.294 3.150 16.143 749 2HZ LYS 14 HZ2 LYS 14 0.069 2.458 17.645 750 3HZ LYS 14 HZ3 LYS 14 0.739 1.803 16.230 751 H ILE 15 HN ILE 15 4.064 2.971 12.878 752 HA ILE 15 HA ILE 15 1.390 2.487 12.300 753 HB ILE 15 HB ILE 15 3.513 3.515 10.405 754 1HG1 ILE 15 HG12 ILE 15 1.557 5.065 12.114 755 2HG1 ILE 15 HG11 ILE 15 3.239 4.781 12.553 756 1HG2 ILE 15 HG21 ILE 15 0.505 3.729 10.285 757 2HG2 ILE 15 HG22 ILE 15 1.536 2.805 9.192 758 3HG2 ILE 15 HG23 ILE 15 1.628 4.567 9.212 759 1HD1 ILE 15 HD11 ILE 15 2.941 6.988 11.594 760 2HD1 ILE 15 HD12 ILE 15 2.278 6.273 10.124 761 3HD1 ILE 15 HD13 ILE 15 3.964 5.988 10.563 762 H ILE 16 HN ILE 16 4.280 1.279 10.619 763 HA ILE 16 HA ILE 16 2.964 -0.277 8.707 764 HB ILE 16 HB ILE 16 5.664 -0.807 9.961 765 1HG1 ILE 16 HG12 ILE 16 4.936 0.751 7.469 766 2HG1 ILE 16 HG11 ILE 16 5.433 1.464 8.999 767 1HG2 ILE 16 HG21 ILE 16 6.155 -2.000 7.872 768 2HG2 ILE 16 HG22 ILE 16 4.492 -1.738 7.342 769 3HG2 ILE 16 HG23 ILE 16 4.819 -2.741 8.756 770 1HD1 ILE 16 HD11 ILE 16 7.261 1.431 7.407 771 2HD1 ILE 16 HD12 ILE 16 7.112 -0.321 7.255 772 3HD1 ILE 16 HD13 ILE 16 7.614 0.392 8.788 773 H GLN 17 HN GLN 17 4.095 -1.099 11.967 774 HA GLN 17 HA GLN 17 3.435 -3.838 11.851 775 1HB GLN 17 HB2 GLN 17 4.972 -2.907 13.514 776 2HB GLN 17 HB1 GLN 17 3.646 -2.017 14.251 777 1HG GLN 17 HG2 GLN 17 4.238 -4.031 15.505 778 2HG GLN 17 HG1 GLN 17 2.579 -4.077 14.914 779 1HE2 GLN 17 HE21 GLN 17 2.027 -5.517 13.282 780 2HE2 GLN 17 HE22 GLN 17 3.043 -6.852 12.845 781 H ASP 18 HN ASP 18 1.617 -1.037 13.091 782 HA ASP 18 HA ASP 18 -0.623 -2.486 13.978 783 1HB ASP 18 HB2 ASP 18 -0.185 0.377 13.203 784 2HB ASP 18 HB1 ASP 18 -1.822 -0.200 13.499 785 H LEU 19 HN LEU 19 0.093 -1.014 10.831 786 HA LEU 19 HA LEU 19 -2.343 -1.613 9.566 787 1HB LEU 19 HB2 LEU 19 0.439 -1.442 8.400 788 2HB LEU 19 HB1 LEU 19 -1.029 -1.506 7.449 789 HG LEU 19 HG LEU 19 -0.334 0.703 9.386 790 1HD1 LEU 19 HD11 LEU 19 1.170 0.674 7.464 791 2HD1 LEU 19 HD12 LEU 19 0.071 2.051 7.396 792 3HD1 LEU 19 HD13 LEU 19 -0.217 0.641 6.373 793 1HD2 LEU 19 HD21 LEU 19 -2.557 0.436 7.368 794 2HD2 LEU 19 HD22 LEU 19 -2.199 1.878 8.315 795 3HD2 LEU 19 HD23 LEU 19 -2.729 0.404 9.123 796 H LEU 20 HN LEU 20 0.657 -3.482 9.833 797 HA LEU 20 HA LEU 20 -0.108 -5.663 8.251 798 1HB LEU 20 HB2 LEU 20 1.768 -5.563 10.613 799 2HB LEU 20 HB1 LEU 20 1.613 -6.935 9.534 800 HG LEU 20 HG LEU 20 2.564 -4.180 8.748 801 1HD1 LEU 20 HD11 LEU 20 4.183 -5.370 10.113 802 2HD1 LEU 20 HD12 LEU 20 4.730 -5.273 8.440 803 3HD1 LEU 20 HD13 LEU 20 4.056 -6.780 9.061 804 1HD2 LEU 20 HD21 LEU 20 2.371 -6.720 7.127 805 2HD2 LEU 20 HD22 LEU 20 3.108 -5.210 6.595 806 3HD2 LEU 20 HD23 LEU 20 1.378 -5.277 6.923 807 H ASP 21 HN ASP 21 -0.538 -5.075 11.725 808 HA ASP 21 HA ASP 21 -1.599 -7.617 12.343 809 1HB ASP 21 HB2 ASP 21 -0.760 -6.039 14.054 810 2HB ASP 21 HB1 ASP 21 -2.137 -4.987 13.743 811 H VAL 22 HN VAL 22 -3.080 -4.633 11.217 812 HA VAL 22 HA VAL 22 -5.775 -5.353 11.443 813 HB VAL 22 HB VAL 22 -4.390 -3.611 9.398 814 1HG1 VAL 22 HG11 VAL 22 -6.482 -4.439 8.455 815 2HG1 VAL 22 HG12 VAL 22 -6.597 -2.721 8.835 816 3HG1 VAL 22 HG13 VAL 22 -7.348 -3.911 9.897 817 1HG2 VAL 22 HG21 VAL 22 -4.270 -2.798 11.694 818 2HG2 VAL 22 HG22 VAL 22 -6.023 -2.939 11.845 819 3HG2 VAL 22 HG23 VAL 22 -5.326 -1.773 10.721 820 H LEU 23 HN LEU 23 -3.405 -6.026 8.923 821 HA LEU 23 HA LEU 23 -5.230 -7.375 7.198 822 1HB LEU 23 HB2 LEU 23 -2.216 -7.554 7.345 823 2HB LEU 23 HB1 LEU 23 -3.209 -8.142 6.025 824 HG LEU 23 HG LEU 23 -2.941 -5.250 6.846 825 1HD1 LEU 23 HD11 LEU 23 -0.894 -6.070 5.851 826 2HD1 LEU 23 HD12 LEU 23 -1.732 -5.004 4.724 827 3HD1 LEU 23 HD13 LEU 23 -1.796 -6.753 4.499 828 1HD2 LEU 23 HD21 LEU 23 -5.132 -5.788 5.890 829 2HD2 LEU 23 HD22 LEU 23 -4.339 -6.487 4.478 830 3HD2 LEU 23 HD23 LEU 23 -4.180 -4.764 4.817 831 H VAL 24 HN VAL 24 -3.031 -8.365 9.759 832 HA VAL 24 HA VAL 24 -3.251 -11.158 9.345 833 HB VAL 24 HB VAL 24 -2.514 -9.635 11.850 834 1HG1 VAL 24 HG11 VAL 24 -1.502 -11.733 12.617 835 2HG1 VAL 24 HG12 VAL 24 -2.157 -12.560 11.204 836 3HG1 VAL 24 HG13 VAL 24 -3.247 -11.886 12.415 837 1HG2 VAL 24 HG21 VAL 24 -0.210 -10.218 11.219 838 2HG2 VAL 24 HG22 VAL 24 -0.997 -9.205 10.011 839 3HG2 VAL 24 HG23 VAL 24 -0.815 -10.935 9.726 840 H LYS 25 HN LYS 25 -5.082 -8.889 11.374 841 HA LYS 25 HA LYS 25 -6.509 -10.877 12.789 842 1HB LYS 25 HB2 LYS 25 -7.929 -9.139 13.589 843 2HB LYS 25 HB1 LYS 25 -6.308 -8.472 13.482 844 1HG LYS 25 HG2 LYS 25 -6.937 -7.427 11.325 845 2HG LYS 25 HG1 LYS 25 -8.584 -8.009 11.569 846 1HD LYS 25 HD2 LYS 25 -8.705 -6.741 13.670 847 2HD LYS 25 HD1 LYS 25 -7.072 -6.135 13.388 848 1HE LYS 25 HE2 LYS 25 -8.554 -4.431 12.677 849 2HE LYS 25 HE1 LYS 25 -7.926 -5.187 11.216 850 1HZ LYS 25 HZ1 LYS 25 -10.568 -5.741 12.453 851 2HZ LYS 25 HZ2 LYS 25 -9.977 -6.474 11.041 852 3HZ LYS 25 HZ3 LYS 25 -10.301 -4.805 11.063 853 H GLU 26 HN GLU 26 -6.917 -9.527 9.623 854 HA GLU 26 HA GLU 26 -9.584 -10.681 9.346 855 1HB GLU 26 HB2 GLU 26 -7.856 -9.253 7.314 856 2HB GLU 26 HB1 GLU 26 -9.523 -9.750 7.069 857 1HG GLU 26 HG2 GLU 26 -8.560 -7.726 9.076 858 2HG GLU 26 HG1 GLU 26 -9.357 -7.374 7.544 859 H GLU 27 HN GLU 27 -6.407 -11.678 9.067 860 HA GLU 27 HA GLU 27 -5.286 -13.368 8.057 861 1HB GLU 27 HB2 GLU 27 -8.047 -14.599 7.969 862 2HB GLU 27 HB1 GLU 27 -6.554 -15.468 7.641 863 1HG GLU 27 HG2 GLU 27 -5.817 -14.792 9.969 864 2HG GLU 27 HG1 GLU 27 -7.487 -14.292 10.237 865 H VAL 28 HN VAL 28 -5.861 -11.279 6.397 866 HA VAL 28 HA VAL 28 -7.147 -12.022 3.987 867 HB VAL 28 HB VAL 28 -6.135 -10.034 2.997 868 1HG1 VAL 28 HG11 VAL 28 -7.086 -9.547 5.814 869 2HG1 VAL 28 HG12 VAL 28 -8.110 -9.770 4.395 870 3HG1 VAL 28 HG13 VAL 28 -7.055 -8.361 4.509 871 1HG2 VAL 28 HG21 VAL 28 -4.556 -9.831 5.561 872 2HG2 VAL 28 HG22 VAL 28 -4.604 -8.617 4.283 873 3HG2 VAL 28 HG23 VAL 28 -3.908 -10.206 3.964 874 H THR 29 HN THR 29 -6.300 -12.624 2.004 875 HA THR 29 HA THR 29 -3.765 -13.990 1.992 876 HB THR 29 HB THR 29 -4.682 -13.749 -0.650 877 HG1 THR 29 HG1 THR 29 -6.941 -14.555 0.771 878 1HG2 THR 29 HG21 THR 29 -3.768 -15.774 0.387 879 2HG2 THR 29 HG22 THR 29 -5.327 -16.106 -0.371 880 3HG2 THR 29 HG23 THR 29 -5.216 -15.925 1.382 881 HA PRO 30 HA PRO 30 -1.011 -10.777 0.721 882 1HB PRO 30 HB2 PRO 30 -0.401 -12.513 -1.636 883 2HB PRO 30 HB1 PRO 30 0.706 -11.717 -0.512 884 1HG PRO 30 HG2 PRO 30 0.229 -14.320 -0.309 885 2HG PRO 30 HG1 PRO 30 0.383 -13.315 1.146 886 1HD PRO 30 HD2 PRO 30 -2.059 -14.473 -0.109 887 2HD PRO 30 HD1 PRO 30 -1.702 -14.171 1.603 888 H ASP 31 HN ASP 31 -2.649 -12.301 -2.052 889 HA ASP 31 HA ASP 31 -2.586 -10.080 -3.762 890 1HB ASP 31 HB2 ASP 31 -4.610 -12.331 -3.686 891 2HB ASP 31 HB1 ASP 31 -4.309 -11.259 -5.049 892 H LEU 32 HN LEU 32 -5.043 -11.171 -1.462 893 HA LEU 32 HA LEU 32 -6.985 -9.207 -2.000 894 1HB LEU 32 HB2 LEU 32 -7.554 -11.217 -0.791 895 2HB LEU 32 HB1 LEU 32 -6.409 -10.834 0.479 896 HG LEU 32 HG LEU 32 -7.807 -8.877 1.102 897 1HD1 LEU 32 HD11 LEU 32 -10.102 -8.753 0.237 898 2HD1 LEU 32 HD12 LEU 32 -9.713 -10.014 -0.935 899 3HD1 LEU 32 HD13 LEU 32 -8.895 -8.453 -1.015 900 1HD2 LEU 32 HD21 LEU 32 -8.026 -11.011 2.263 901 2HD2 LEU 32 HD22 LEU 32 -9.236 -11.529 1.089 902 3HD2 LEU 32 HD23 LEU 32 -9.574 -10.173 2.164 903 H ALA 33 HN ALA 33 -4.334 -9.347 0.343 904 HA ALA 33 HA ALA 33 -4.881 -6.961 1.704 905 1HB ALA 33 HB1 ALA 33 -3.299 -8.655 2.506 906 2HB ALA 33 HB2 ALA 33 -2.572 -7.050 2.455 907 3HB ALA 33 HB3 ALA 33 -2.193 -8.230 1.201 908 H LEU 34 HN LEU 34 -2.969 -7.592 -1.206 909 HA LEU 34 HA LEU 34 -1.932 -5.002 -1.531 910 1HB LEU 34 HB2 LEU 34 -2.586 -7.090 -3.609 911 2HB LEU 34 HB1 LEU 34 -1.648 -5.640 -3.914 912 HG LEU 34 HG LEU 34 -0.876 -7.898 -2.067 913 1HD1 LEU 34 HD11 LEU 34 0.917 -8.283 -3.679 914 2HD1 LEU 34 HD12 LEU 34 0.272 -7.002 -4.705 915 3HD1 LEU 34 HD13 LEU 34 -0.671 -8.465 -4.426 916 1HD2 LEU 34 HD21 LEU 34 0.576 -5.347 -2.752 917 2HD2 LEU 34 HD22 LEU 34 1.250 -6.693 -1.833 918 3HD2 LEU 34 HD23 LEU 34 -0.109 -5.773 -1.183 919 H MET 35 HN MET 35 -4.948 -6.469 -2.633 920 HA MET 35 HA MET 35 -5.834 -4.321 -4.230 921 1HB MET 35 HB2 MET 35 -6.844 -6.551 -4.344 922 2HB MET 35 HB1 MET 35 -7.453 -6.373 -2.706 923 1HG MET 35 HG2 MET 35 -8.943 -4.627 -3.376 924 2HG MET 35 HG1 MET 35 -8.233 -4.572 -4.987 925 1HE MET 35 HE1 MET 35 -8.967 -7.845 -2.933 926 2HE MET 35 HE2 MET 35 -10.625 -8.199 -3.419 927 3HE MET 35 HE3 MET 35 -10.277 -6.769 -2.444 928 H CYS 36 HN CYS 36 -6.245 -5.013 -0.784 929 HA CYS 36 HA CYS 36 -7.904 -2.751 -0.293 930 1HB CYS 36 HB2 CYS 36 -6.224 -4.399 1.605 931 2HB CYS 36 HB1 CYS 36 -7.405 -3.191 2.098 932 HG CYS 36 HG CYS 36 -9.599 -4.575 1.586 933 H LEU 37 HN LEU 37 -4.432 -3.378 0.170 934 HA LEU 37 HA LEU 37 -3.776 -0.901 1.307 935 1HB LEU 37 HB2 LEU 37 -2.134 -2.829 -0.323 936 2HB LEU 37 HB1 LEU 37 -1.456 -1.406 0.444 937 HG LEU 37 HG LEU 37 -2.820 -3.665 1.913 938 1HD1 LEU 37 HD11 LEU 37 0.105 -3.023 1.576 939 2HD1 LEU 37 HD12 LEU 37 -0.746 -4.428 0.934 940 3HD1 LEU 37 HD13 LEU 37 -0.553 -4.234 2.675 941 1HD2 LEU 37 HD21 LEU 37 -1.245 -1.300 2.929 942 2HD2 LEU 37 HD22 LEU 37 -1.892 -2.614 3.913 943 3HD2 LEU 37 HD23 LEU 37 -2.990 -1.522 3.068 944 H GLY 38 HN GLY 38 -3.547 -1.960 -2.091 945 1HA GLY 38 HA2 GLY 38 -2.494 0.462 -3.078 946 2HA GLY 38 HA1 GLY 38 -3.307 -0.766 -4.037 947 H ASN 39 HN ASN 39 -5.785 -0.622 -2.585 948 HA ASN 39 HA ASN 39 -7.059 1.437 -4.064 949 1HB ASN 39 HB2 ASN 39 -7.953 -0.840 -3.098 950 2HB ASN 39 HB1 ASN 39 -8.327 0.132 -1.681 951 1HD2 ASN 39 HD21 ASN 39 -9.971 -1.278 -3.708 952 2HD2 ASN 39 HD22 ASN 39 -11.094 -0.093 -4.281 953 H ALA 40 HN ALA 40 -6.022 1.092 -0.723 954 HA ALA 40 HA ALA 40 -7.118 3.550 0.204 955 1HB ALA 40 HB1 ALA 40 -6.547 1.727 1.730 956 2HB ALA 40 HB2 ALA 40 -5.699 3.212 2.164 957 3HB ALA 40 HB3 ALA 40 -4.839 1.920 1.327 958 H VAL 41 HN VAL 41 -3.903 2.567 -0.950 959 HA VAL 41 HA VAL 41 -2.558 4.986 -0.587 960 HB VAL 41 HB VAL 41 -2.137 2.987 -2.826 961 1HG1 VAL 41 HG11 VAL 41 -1.054 5.110 -3.303 962 2HG1 VAL 41 HG12 VAL 41 0.149 3.884 -2.904 963 3HG1 VAL 41 HG13 VAL 41 -0.296 5.103 -1.710 964 1HG2 VAL 41 HG21 VAL 41 -1.997 1.987 -0.579 965 2HG2 VAL 41 HG22 VAL 41 -0.769 3.179 -0.148 966 3HG2 VAL 41 HG23 VAL 41 -0.442 1.996 -1.409 967 H THR 42 HN THR 42 -4.629 3.883 -3.215 968 HA THR 42 HA THR 42 -4.182 5.954 -5.038 969 HB THR 42 HB THR 42 -6.730 4.391 -4.566 970 HG1 THR 42 HG1 THR 42 -4.912 3.061 -5.050 971 1HG2 THR 42 HG21 THR 42 -7.224 4.914 -6.917 972 2HG2 THR 42 HG22 THR 42 -5.784 5.934 -6.983 973 3HG2 THR 42 HG23 THR 42 -7.129 6.372 -5.929 974 H ASN 43 HN ASN 43 -6.250 5.773 -2.202 975 HA ASN 43 HA ASN 43 -7.601 8.250 -2.738 976 1HB ASN 43 HB2 ASN 43 -8.632 6.446 -1.379 977 2HB ASN 43 HB1 ASN 43 -7.399 6.693 -0.145 978 1HD2 ASN 43 HD21 ASN 43 -10.277 7.920 -1.611 979 2HD2 ASN 43 HD22 ASN 43 -10.602 9.158 -0.446 980 H ILE 44 HN ILE 44 -4.864 7.196 -0.791 981 HA ILE 44 HA ILE 44 -4.479 9.580 0.660 982 HB ILE 44 HB ILE 44 -2.432 7.488 -0.101 983 1HG1 ILE 44 HG12 ILE 44 -4.310 6.542 1.150 984 2HG1 ILE 44 HG11 ILE 44 -2.861 6.574 2.149 985 1HG2 ILE 44 HG21 ILE 44 -2.345 9.570 2.077 986 2HG2 ILE 44 HG22 ILE 44 -1.402 9.596 0.586 987 3HG2 ILE 44 HG23 ILE 44 -1.132 8.325 1.778 988 1HD1 ILE 44 HD11 ILE 44 -3.696 8.569 3.284 989 2HD1 ILE 44 HD12 ILE 44 -4.823 7.218 3.419 990 3HD1 ILE 44 HD13 ILE 44 -5.148 8.527 2.282 991 H ILE 45 HN ILE 45 -3.030 8.427 -2.384 992 HA ILE 45 HA ILE 45 -1.336 10.668 -2.742 993 HB ILE 45 HB ILE 45 -2.449 8.827 -4.873 994 1HG1 ILE 45 HG12 ILE 45 0.167 8.684 -3.358 995 2HG1 ILE 45 HG11 ILE 45 -1.223 7.639 -3.072 996 1HG2 ILE 45 HG21 ILE 45 -0.077 10.690 -4.892 997 2HG2 ILE 45 HG22 ILE 45 -1.548 10.836 -5.854 998 3HG2 ILE 45 HG23 ILE 45 -0.435 9.502 -6.147 999 1HD1 ILE 45 HD11 ILE 45 0.402 7.792 -5.599 1000 2HD1 ILE 45 HD12 ILE 45 -1.016 6.773 -5.356 1001 3HD1 ILE 45 HD13 ILE 45 0.441 6.500 -4.400 1002 H ALA 46 HN ALA 46 -4.703 10.150 -3.321 1003 HA ALA 46 HA ALA 46 -5.091 12.281 -5.188 1004 1HB ALA 46 HB1 ALA 46 -7.465 11.972 -4.749 1005 2HB ALA 46 HB2 ALA 46 -7.086 10.939 -3.370 1006 3HB ALA 46 HB3 ALA 46 -6.665 10.422 -5.004 1007 H GLN 47 HN GLN 47 -4.660 12.098 -1.800 1008 HA GLN 47 HA GLN 47 -5.886 14.672 -1.252 1009 1HB GLN 47 HB2 GLN 47 -4.190 12.924 0.547 1010 2HB GLN 47 HB1 GLN 47 -5.179 14.289 1.046 1011 1HG GLN 47 HG2 GLN 47 -7.191 13.097 0.411 1012 2HG GLN 47 HG1 GLN 47 -6.225 11.744 -0.173 1013 1HE2 GLN 47 HE21 GLN 47 -7.176 10.292 1.224 1014 2HE2 GLN 47 HE22 GLN 47 -6.854 10.301 2.927 1015 H VAL 48 HN VAL 48 -3.100 13.655 -2.634 1016 HA VAL 48 HA VAL 48 -1.366 15.721 -1.510 1017 HB VAL 48 HB VAL 48 -0.783 13.631 -3.621 1018 1HG1 VAL 48 HG11 VAL 48 0.710 15.551 -3.763 1019 2HG1 VAL 48 HG12 VAL 48 1.567 14.122 -3.182 1020 3HG1 VAL 48 HG13 VAL 48 1.094 15.389 -2.049 1021 1HG2 VAL 48 HG21 VAL 48 -0.178 13.624 -0.667 1022 2HG2 VAL 48 HG22 VAL 48 0.416 12.440 -1.832 1023 3HG2 VAL 48 HG23 VAL 48 -1.314 12.571 -1.512 1024 HA PRO 49 HA PRO 49 -2.371 18.716 -4.715 1025 1HB PRO 49 HB2 PRO 49 0.507 19.398 -4.309 1026 2HB PRO 49 HB1 PRO 49 -0.907 20.459 -4.333 1027 1HG PRO 49 HG2 PRO 49 0.251 19.819 -2.029 1028 2HG PRO 49 HG1 PRO 49 -1.516 19.915 -2.158 1029 1HD PRO 49 HD2 PRO 49 0.250 17.512 -2.036 1030 2HD PRO 49 HD1 PRO 49 -1.370 17.760 -1.353 1031 H GLU 50 HN GLU 50 -2.120 18.774 -6.926 1032 HA GLU 50 HA GLU 50 -1.117 16.432 -8.084 1033 1HB GLU 50 HB2 GLU 50 -1.917 18.973 -9.492 1034 2HB GLU 50 HB1 GLU 50 -1.782 17.375 -10.219 1035 1HG GLU 50 HG2 GLU 50 -3.504 16.680 -8.424 1036 2HG GLU 50 HG1 GLU 50 -3.820 18.410 -8.299 1037 H SER 51 HN SER 51 0.347 19.559 -7.662 1038 HA SER 51 HA SER 51 2.371 19.462 -9.574 1039 1HB SER 51 HB2 SER 51 1.919 21.454 -8.235 1040 2HB SER 51 HB1 SER 51 2.442 20.619 -6.776 1041 HG SER 51 HG SER 51 4.053 21.257 -9.035 1042 H LYS 52 HN LYS 52 2.144 17.884 -6.437 1043 HA LYS 52 HA LYS 52 4.733 16.587 -6.961 1044 1HB LYS 52 HB2 LYS 52 4.671 16.063 -4.468 1045 2HB LYS 52 HB1 LYS 52 4.937 17.742 -4.912 1046 1HG LYS 52 HG2 LYS 52 2.634 18.275 -4.428 1047 2HG LYS 52 HG1 LYS 52 2.282 16.581 -4.098 1048 1HD LYS 52 HD2 LYS 52 2.525 17.733 -2.010 1049 2HD LYS 52 HD1 LYS 52 3.907 16.664 -2.222 1050 1HE LYS 52 HE2 LYS 52 4.086 19.530 -3.060 1051 2HE LYS 52 HE1 LYS 52 4.257 19.096 -1.362 1052 1HZ LYS 52 HZ1 LYS 52 6.411 19.158 -2.302 1053 2HZ LYS 52 HZ2 LYS 52 5.958 18.208 -3.627 1054 3HZ LYS 52 HZ3 LYS 52 6.036 17.522 -2.075 1055 H ARG 53 HN ARG 53 1.445 16.080 -7.027 1056 HA ARG 53 HA ARG 53 1.147 13.514 -5.920 1057 1HB ARG 53 HB2 ARG 53 -0.761 14.945 -6.476 1058 2HB ARG 53 HB1 ARG 53 -0.376 14.802 -8.186 1059 1HG ARG 53 HG2 ARG 53 -0.804 12.388 -8.064 1060 2HG ARG 53 HG1 ARG 53 -1.249 12.576 -6.368 1061 1HD ARG 53 HD2 ARG 53 -2.611 13.926 -8.693 1062 2HD ARG 53 HD1 ARG 53 -3.211 12.498 -7.850 1063 HE ARG 53 HE ARG 53 -2.833 14.436 -5.911 1064 1HH1 ARG 53 HH11 ARG 53 -4.749 14.097 -8.820 1065 2HH1 ARG 53 HH12 ARG 53 -6.042 15.085 -8.233 1066 1HH2 ARG 53 HH21 ARG 53 -4.532 15.731 -5.134 1067 2HH2 ARG 53 HH22 ARG 53 -5.928 16.003 -6.122 1068 H VAL 54 HN VAL 54 1.731 14.526 -9.274 1069 HA VAL 54 HA VAL 54 1.812 11.929 -10.361 1070 HB VAL 54 HB VAL 54 3.320 14.326 -11.417 1071 1HG1 VAL 54 HG11 VAL 54 3.035 13.266 -13.581 1072 2HG1 VAL 54 HG12 VAL 54 2.130 11.947 -12.841 1073 3HG1 VAL 54 HG13 VAL 54 3.839 12.161 -12.467 1074 1HG2 VAL 54 HG21 VAL 54 1.020 14.975 -10.982 1075 2HG2 VAL 54 HG22 VAL 54 0.437 13.564 -11.865 1076 3HG2 VAL 54 HG23 VAL 54 1.302 14.842 -12.718 1077 H ALA 55 HN ALA 55 4.222 13.956 -8.840 1078 HA ALA 55 HA ALA 55 6.475 12.380 -9.508 1079 1HB ALA 55 HB1 ALA 55 6.116 14.245 -7.168 1080 2HB ALA 55 HB2 ALA 55 6.649 14.720 -8.782 1081 3HB ALA 55 HB3 ALA 55 7.649 13.646 -7.804 1082 H VAL 56 HN VAL 56 4.414 12.503 -6.581 1083 HA VAL 56 HA VAL 56 5.976 10.594 -5.190 1084 HB VAL 56 HB VAL 56 4.142 10.459 -3.558 1085 1HG1 VAL 56 HG11 VAL 56 4.207 12.804 -2.842 1086 2HG1 VAL 56 HG12 VAL 56 4.839 13.262 -4.424 1087 3HG1 VAL 56 HG13 VAL 56 5.792 12.225 -3.359 1088 1HG2 VAL 56 HG21 VAL 56 2.163 11.887 -3.808 1089 2HG2 VAL 56 HG22 VAL 56 2.231 10.633 -5.047 1090 3HG2 VAL 56 HG23 VAL 56 2.672 12.294 -5.447 1091 H VAL 57 HN VAL 57 3.146 10.244 -7.298 1092 HA VAL 57 HA VAL 57 2.761 7.501 -6.606 1093 HB VAL 57 HB VAL 57 0.916 8.774 -7.581 1094 1HG1 VAL 57 HG11 VAL 57 2.522 8.764 -10.131 1095 2HG1 VAL 57 HG12 VAL 57 2.144 10.176 -9.144 1096 3HG1 VAL 57 HG13 VAL 57 0.849 9.303 -9.967 1097 1HG2 VAL 57 HG21 VAL 57 0.898 6.349 -7.774 1098 2HG2 VAL 57 HG22 VAL 57 1.760 6.451 -9.308 1099 3HG2 VAL 57 HG23 VAL 57 0.125 7.096 -9.172 1100 H ASP 58 HN ASP 58 4.533 9.134 -9.222 1101 HA ASP 58 HA ASP 58 5.377 6.764 -10.526 1102 1HB ASP 58 HB2 ASP 58 6.211 9.620 -10.581 1103 2HB ASP 58 HB1 ASP 58 7.381 8.440 -11.157 1104 H ASN 59 HN ASN 59 6.758 8.694 -7.916 1105 HA ASN 59 HA ASN 59 9.135 7.171 -7.645 1106 1HB ASN 59 HB2 ASN 59 7.664 8.970 -5.719 1107 2HB ASN 59 HB1 ASN 59 9.164 8.157 -5.295 1108 1HD2 ASN 59 HD21 ASN 59 8.587 10.989 -5.468 1109 2HD2 ASN 59 HD22 ASN 59 9.703 11.653 -6.608 1110 H PHE 60 HN PHE 60 5.938 6.947 -6.184 1111 HA PHE 60 HA PHE 60 6.475 4.997 -4.248 1112 1HB PHE 60 HB2 PHE 60 4.353 6.384 -4.534 1113 2HB PHE 60 HB1 PHE 60 3.886 5.241 -5.788 1114 HD1 PHE 60 HD2 PHE 60 4.582 5.615 -2.190 1115 HD2 PHE 60 HD1 PHE 60 2.987 3.121 -5.248 1116 HE1 PHE 60 HE2 PHE 60 3.586 4.158 -0.478 1117 HE2 PHE 60 HE1 PHE 60 1.986 1.663 -3.539 1118 HZ PHE 60 HZ PHE 60 2.285 2.180 -1.152 1119 H THR 61 HN THR 61 5.302 4.665 -7.584 1120 HA THR 61 HA THR 61 5.169 1.839 -7.517 1121 HB THR 61 HB THR 61 5.050 2.044 -10.024 1122 HG1 THR 61 HG1 THR 61 6.138 3.874 -10.534 1123 1HG2 THR 61 HG21 THR 61 2.879 3.203 -10.018 1124 2HG2 THR 61 HG22 THR 61 3.221 3.820 -8.401 1125 3HG2 THR 61 HG23 THR 61 3.032 2.085 -8.661 1126 H LYS 62 HN LYS 62 7.687 4.116 -8.403 1127 HA LYS 62 HA LYS 62 9.464 2.223 -9.552 1128 1HB LYS 62 HB2 LYS 62 9.658 4.642 -9.957 1129 2HB LYS 62 HB1 LYS 62 10.049 4.897 -8.263 1130 1HG LYS 62 HG2 LYS 62 12.109 3.648 -8.519 1131 2HG LYS 62 HG1 LYS 62 11.708 3.297 -10.202 1132 1HD LYS 62 HD2 LYS 62 11.779 5.672 -10.730 1133 2HD LYS 62 HD1 LYS 62 12.110 6.054 -9.041 1134 1HE LYS 62 HE2 LYS 62 14.143 6.119 -10.400 1135 2HE LYS 62 HE1 LYS 62 14.224 4.866 -9.164 1136 1HZ LYS 62 HZ1 LYS 62 14.993 4.287 -11.507 1137 2HZ LYS 62 HZ2 LYS 62 13.350 4.235 -11.919 1138 3HZ LYS 62 HZ3 LYS 62 13.966 3.190 -10.729 1139 H ALA 63 HN ALA 63 9.153 3.613 -6.305 1140 HA ALA 63 HA ALA 63 11.323 2.285 -5.118 1141 1HB ALA 63 HB1 ALA 63 8.733 3.150 -3.833 1142 2HB ALA 63 HB2 ALA 63 10.158 4.162 -4.062 1143 3HB ALA 63 HB3 ALA 63 10.231 2.765 -2.988 1144 H LEU 64 HN LEU 64 7.919 1.356 -5.472 1145 HA LEU 64 HA LEU 64 8.003 -1.075 -4.108 1146 1HB LEU 64 HB2 LEU 64 6.363 -0.115 -6.433 1147 2HB LEU 64 HB1 LEU 64 6.169 -1.734 -5.789 1148 HG LEU 64 HG LEU 64 5.794 0.799 -4.187 1149 1HD1 LEU 64 HD11 LEU 64 3.410 0.293 -4.332 1150 2HD1 LEU 64 HD12 LEU 64 3.762 -1.065 -5.403 1151 3HD1 LEU 64 HD13 LEU 64 4.102 0.585 -5.928 1152 1HD2 LEU 64 HD21 LEU 64 6.475 -1.108 -2.835 1153 2HD2 LEU 64 HD22 LEU 64 5.205 -2.092 -3.562 1154 3HD2 LEU 64 HD23 LEU 64 4.780 -0.715 -2.547 1155 H LYS 65 HN LYS 65 8.362 -0.533 -7.620 1156 HA LYS 65 HA LYS 65 8.906 -3.160 -8.323 1157 1HB LYS 65 HB2 LYS 65 9.702 -0.549 -9.575 1158 2HB LYS 65 HB1 LYS 65 10.149 -2.092 -10.292 1159 1HG LYS 65 HG2 LYS 65 7.824 -2.705 -10.525 1160 2HG LYS 65 HG1 LYS 65 7.323 -1.226 -9.703 1161 1HD LYS 65 HD2 LYS 65 8.142 0.132 -11.488 1162 2HD LYS 65 HD1 LYS 65 8.925 -1.252 -12.253 1163 1HE LYS 65 HE2 LYS 65 5.946 -0.913 -11.885 1164 2HE LYS 65 HE1 LYS 65 6.833 -0.604 -13.379 1165 1HZ LYS 65 HZ1 LYS 65 5.888 -2.774 -13.513 1166 2HZ LYS 65 HZ2 LYS 65 6.508 -3.205 -11.999 1167 3HZ LYS 65 HZ3 LYS 65 7.564 -2.963 -13.297 1168 H GLN 66 HN GLN 66 11.221 -0.597 -7.466 1169 HA GLN 66 HA GLN 66 13.529 -2.151 -7.967 1170 1HB GLN 66 HB2 GLN 66 13.463 0.335 -7.846 1171 2HB GLN 66 HB1 GLN 66 13.249 0.214 -6.106 1172 1HG GLN 66 HG2 GLN 66 15.418 -0.815 -5.870 1173 2HG GLN 66 HG1 GLN 66 15.632 -0.837 -7.619 1174 1HE2 GLN 66 HE21 GLN 66 17.291 0.413 -5.590 1175 2HE2 GLN 66 HE22 GLN 66 17.336 2.102 -5.972 1176 H SER 67 HN SER 67 11.438 -1.891 -5.182 1177 HA SER 67 HA SER 67 13.374 -3.246 -3.475 1178 1HB SER 67 HB2 SER 67 10.593 -2.253 -2.814 1179 2HB SER 67 HB1 SER 67 11.808 -2.805 -1.661 1180 HG SER 67 HG SER 67 11.705 -0.441 -3.167 1181 H VAL 68 HN VAL 68 10.638 -4.014 -5.415 1182 HA VAL 68 HA VAL 68 10.131 -6.503 -3.980 1183 HB VAL 68 HB VAL 68 8.711 -5.196 -6.300 1184 1HG1 VAL 68 HG11 VAL 68 7.083 -7.009 -6.195 1185 2HG1 VAL 68 HG12 VAL 68 8.060 -7.824 -4.972 1186 3HG1 VAL 68 HG13 VAL 68 8.683 -7.625 -6.609 1187 1HG2 VAL 68 HG21 VAL 68 6.854 -5.047 -4.708 1188 2HG2 VAL 68 HG22 VAL 68 8.287 -4.210 -4.110 1189 3HG2 VAL 68 HG23 VAL 68 7.858 -5.798 -3.467 1190 H LEU 69 HN LEU 69 11.344 -5.399 -7.120 1191 HA LEU 69 HA LEU 69 11.582 -7.987 -8.260 1192 1HB LEU 69 HB2 LEU 69 13.064 -5.436 -8.909 1193 2HB LEU 69 HB1 LEU 69 13.111 -6.892 -9.884 1194 HG LEU 69 HG LEU 69 10.651 -5.225 -9.342 1195 1HD1 LEU 69 HD11 LEU 69 12.263 -4.126 -10.820 1196 2HD1 LEU 69 HD12 LEU 69 10.803 -4.603 -11.685 1197 3HD1 LEU 69 HD13 LEU 69 12.282 -5.551 -11.858 1198 1HD2 LEU 69 HD21 LEU 69 11.050 -7.657 -11.081 1199 2HD2 LEU 69 HD22 LEU 69 9.598 -6.661 -11.043 1200 3HD2 LEU 69 HD23 LEU 69 10.083 -7.567 -9.611 1201 H GLU 70 HN GLU 70 13.534 -6.141 -6.086 1202 HA GLU 70 HA GLU 70 15.668 -8.143 -6.190 1203 1HB GLU 70 HB2 GLU 70 15.860 -5.459 -5.999 1204 2HB GLU 70 HB1 GLU 70 15.794 -5.859 -4.290 1205 1HG GLU 70 HG2 GLU 70 17.769 -7.020 -6.241 1206 2HG GLU 70 HG1 GLU 70 18.087 -5.641 -5.193 1207 H HIS 71 HN HIS 71 15.570 -6.747 -3.172 1208 HA HIS 71 HA HIS 71 14.890 -7.334 -1.092 1209 1HB HIS 71 HB2 HIS 71 12.599 -7.405 -2.582 1210 2HB HIS 71 HB1 HIS 71 12.628 -9.032 -1.915 1211 HD1 HIS 71 HD1 HIS 71 11.455 -9.221 0.249 1212 HD2 HIS 71 HD2 HIS 71 12.978 -5.401 -0.350 1213 HE1 HIS 71 HE1 HIS 71 10.698 -7.874 2.232 1214 HE2 HIS 71 HE2 HIS 71 11.488 -5.524 1.767 1215 H HIS 72 HN HIS 72 14.494 -9.200 0.369 1216 HA HIS 72 HA HIS 72 15.187 -11.092 1.319 1217 1HB HIS 72 HB2 HIS 72 14.598 -13.182 0.340 1218 2HB HIS 72 HB1 HIS 72 13.359 -12.017 -0.073 1219 HD1 HIS 72 HD1 HIS 72 16.259 -13.881 -1.654 1220 HD2 HIS 72 HD2 HIS 72 12.823 -11.813 -2.747 1221 HE1 HIS 72 HE1 HIS 72 15.926 -14.365 -4.093 1222 HE2 HIS 72 HE2 HIS 72 13.701 -13.321 -4.658 1223 H HIS 73 HN HIS 73 17.119 -11.456 1.959 1224 HA HIS 73 HA HIS 73 19.144 -12.235 -0.024 1225 1HB HIS 73 HB2 HIS 73 19.361 -10.114 2.079 1226 2HB HIS 73 HB1 HIS 73 20.790 -11.032 1.627 1227 HD1 HIS 73 HD1 HIS 73 20.070 -7.899 1.076 1228 HD2 HIS 73 HD2 HIS 73 20.174 -11.045 -1.646 1229 HE1 HIS 73 HE1 HIS 73 20.473 -6.845 -1.176 1230 HE2 HIS 73 HE2 HIS 73 20.418 -8.756 -2.820 1231 H HIS 74 HN HIS 74 20.518 -13.803 0.566 1232 HA HIS 74 HA HIS 74 20.069 -15.059 3.197 1233 1HB HIS 74 HB2 HIS 74 19.815 -16.209 0.721 1234 2HB HIS 74 HB1 HIS 74 21.487 -16.599 1.108 1235 HD1 HIS 74 HD1 HIS 74 21.774 -18.736 2.351 1236 HD2 HIS 74 HD2 HIS 74 18.013 -17.052 2.964 1237 HE1 HIS 74 HE1 HIS 74 20.500 -20.391 3.752 1238 HE2 HIS 74 HE2 HIS 74 18.175 -19.443 3.944 1239 H HIS 75 HN HIS 75 21.811 -15.240 4.555 1240 HA HIS 75 HA HIS 75 24.001 -13.516 4.089 1241 1HB HIS 75 HB2 HIS 75 22.976 -14.344 6.330 1242 2HB HIS 75 HB1 HIS 75 24.078 -15.703 6.149 1243 HD1 HIS 75 HD1 HIS 75 26.357 -15.369 7.074 1244 HD2 HIS 75 HD2 HIS 75 24.415 -11.763 6.339 1245 HE1 HIS 75 HE1 HIS 75 27.887 -13.576 7.961 1246 HE2 HIS 75 HE2 HIS 75 26.622 -11.417 7.646 1247 H HIS 76 HN HIS 76 23.527 -16.934 3.639 1248 HA HIS 76 HA HIS 76 25.769 -16.912 1.820 1249 1HB HIS 76 HB2 HIS 76 26.636 -19.113 2.668 1250 2HB HIS 76 HB1 HIS 76 26.944 -17.746 3.724 1251 HD1 HIS 76 HD1 HIS 76 26.201 -17.953 6.094 1252 HD2 HIS 76 HD2 HIS 76 24.537 -20.887 3.657 1253 HE1 HIS 76 HE1 HIS 76 25.073 -19.571 7.652 1254 HE2 HIS 76 HE2 HIS 76 24.021 -21.298 6.162 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -13.603 -25.586 -12.818 2 2H MET 1 HT2 MET 1 -14.305 -27.103 -12.535 3 3H MET 1 HT3 MET 1 -13.157 -26.481 -11.449 4 HA MET 1 HA MET 1 -15.880 -25.440 -11.960 5 1HB MET 1 HB2 MET 1 -14.582 -26.673 -9.518 6 2HB MET 1 HB1 MET 1 -16.169 -25.918 -9.521 7 1HG MET 1 HG2 MET 1 -16.974 -27.581 -11.100 8 2HG MET 1 HG1 MET 1 -15.376 -28.322 -11.150 9 1HE MET 1 HE1 MET 1 -15.008 -29.699 -7.504 10 2HE MET 1 HE2 MET 1 -14.448 -28.155 -8.148 11 3HE MET 1 HE3 MET 1 -14.277 -29.625 -9.107 12 HA PRO 2 HA PRO 2 -13.727 -21.589 -11.194 13 1HB PRO 2 HB2 PRO 2 -15.979 -20.036 -11.366 14 2HB PRO 2 HB1 PRO 2 -15.052 -20.595 -12.763 15 1HG PRO 2 HG2 PRO 2 -17.566 -21.706 -11.583 16 2HG PRO 2 HG1 PRO 2 -17.125 -21.488 -13.288 17 1HD PRO 2 HD2 PRO 2 -16.985 -23.886 -12.078 18 2HD PRO 2 HD1 PRO 2 -15.824 -23.397 -13.327 19 H ILE 3 HN ILE 3 -13.102 -21.181 -9.201 20 HA ILE 3 HA ILE 3 -15.153 -20.527 -7.189 21 HB ILE 3 HB ILE 3 -12.477 -21.827 -6.615 22 1HG1 ILE 3 HG12 ILE 3 -14.133 -23.409 -7.564 23 2HG1 ILE 3 HG11 ILE 3 -13.747 -23.777 -5.886 24 1HG2 ILE 3 HG21 ILE 3 -13.253 -21.918 -4.290 25 2HG2 ILE 3 HG22 ILE 3 -14.711 -21.035 -4.749 26 3HG2 ILE 3 HG23 ILE 3 -13.133 -20.258 -4.878 27 1HD1 ILE 3 HD11 ILE 3 -16.219 -22.382 -6.887 28 2HD1 ILE 3 HD12 ILE 3 -15.830 -22.679 -5.192 29 3HD1 ILE 3 HD13 ILE 3 -16.109 -24.035 -6.284 30 H VAL 4 HN VAL 4 -15.087 -18.348 -7.463 31 HA VAL 4 HA VAL 4 -12.498 -17.029 -6.956 32 HB VAL 4 HB VAL 4 -13.114 -15.231 -8.512 33 1HG1 VAL 4 HG11 VAL 4 -12.761 -16.460 -10.606 34 2HG1 VAL 4 HG12 VAL 4 -13.137 -17.970 -9.776 35 3HG1 VAL 4 HG13 VAL 4 -11.708 -17.044 -9.317 36 1HG2 VAL 4 HG21 VAL 4 -15.449 -16.994 -9.247 37 2HG2 VAL 4 HG22 VAL 4 -14.975 -15.510 -10.075 38 3HG2 VAL 4 HG23 VAL 4 -15.543 -15.448 -8.405 39 H SER 5 HN SER 5 -12.693 -14.840 -6.134 40 HA SER 5 HA SER 5 -13.435 -13.270 -4.699 41 1HB SER 5 HB2 SER 5 -16.180 -14.037 -5.712 42 2HB SER 5 HB1 SER 5 -15.746 -12.531 -4.902 43 HG SER 5 HG SER 5 -15.813 -12.365 -7.220 44 H LYS 6 HN LYS 6 -12.689 -14.694 -2.985 45 HA LYS 6 HA LYS 6 -14.685 -16.093 -1.431 46 1HB LYS 6 HB2 LYS 6 -12.441 -16.975 -1.444 47 2HB LYS 6 HB1 LYS 6 -11.780 -15.430 -0.930 48 1HG LYS 6 HG2 LYS 6 -12.862 -15.668 1.234 49 2HG LYS 6 HG1 LYS 6 -13.576 -17.197 0.719 50 1HD LYS 6 HD2 LYS 6 -11.424 -18.226 0.561 51 2HD LYS 6 HD1 LYS 6 -10.607 -16.681 0.806 52 1HE LYS 6 HE2 LYS 6 -10.620 -18.112 2.826 53 2HE LYS 6 HE1 LYS 6 -11.409 -16.555 3.068 54 1HZ LYS 6 HZ1 LYS 6 -12.662 -18.383 4.048 55 2HZ LYS 6 HZ2 LYS 6 -12.813 -19.121 2.528 56 3HZ LYS 6 HZ3 LYS 6 -13.548 -17.619 2.824 57 H TYR 7 HN TYR 7 -13.276 -12.967 -1.565 58 HA TYR 7 HA TYR 7 -14.251 -12.198 1.074 59 1HB TYR 7 HB2 TYR 7 -13.070 -9.969 0.230 60 2HB TYR 7 HB1 TYR 7 -12.132 -11.318 0.867 61 HD1 TYR 7 HD2 TYR 7 -13.077 -9.485 -2.180 62 HD2 TYR 7 HD1 TYR 7 -10.768 -12.683 -0.578 63 HE1 TYR 7 HE2 TYR 7 -11.844 -9.656 -4.303 64 HE2 TYR 7 HE1 TYR 7 -9.536 -12.863 -2.693 65 HH TYR 7 HH TYR 7 -9.390 -10.584 -4.943 66 H SER 8 HN SER 8 -15.621 -10.381 1.366 67 HA SER 8 HA SER 8 -17.432 -9.958 -0.898 68 1HB SER 8 HB2 SER 8 -18.218 -10.796 1.426 69 2HB SER 8 HB1 SER 8 -17.985 -9.127 1.945 70 HG SER 8 HG SER 8 -19.679 -8.506 0.805 71 H ASN 9 HN ASN 9 -18.320 -7.766 -1.185 72 HA ASN 9 HA ASN 9 -16.255 -5.907 -1.593 73 1HB ASN 9 HB2 ASN 9 -18.389 -6.014 -2.890 74 2HB ASN 9 HB1 ASN 9 -19.226 -5.339 -1.495 75 1HD2 ASN 9 HD21 ASN 9 -18.862 -3.166 -0.934 76 2HD2 ASN 9 HD22 ASN 9 -18.154 -2.053 -2.047 77 H GLU 10 HN GLU 10 -18.812 -6.048 0.852 78 HA GLU 10 HA GLU 10 -18.284 -3.597 2.116 79 1HB GLU 10 HB2 GLU 10 -19.298 -6.060 3.539 80 2HB GLU 10 HB1 GLU 10 -19.640 -4.378 3.916 81 1HG GLU 10 HG2 GLU 10 -21.584 -4.914 2.894 82 2HG GLU 10 HG1 GLU 10 -20.662 -4.433 1.470 83 H ARG 11 HN ARG 11 -16.857 -6.766 2.476 84 HA ARG 11 HA ARG 11 -15.371 -6.238 4.828 85 1HB ARG 11 HB2 ARG 11 -15.856 -8.518 3.941 86 2HB ARG 11 HB1 ARG 11 -14.752 -8.202 2.609 87 1HG ARG 11 HG2 ARG 11 -12.883 -8.137 4.053 88 2HG ARG 11 HG1 ARG 11 -13.907 -8.092 5.490 89 1HD ARG 11 HD2 ARG 11 -14.774 -10.351 4.824 90 2HD ARG 11 HD1 ARG 11 -13.537 -10.381 3.567 91 HE ARG 11 HE ARG 11 -11.864 -10.419 5.281 92 1HH1 ARG 11 HH11 ARG 11 -15.153 -10.863 6.415 93 2HH1 ARG 11 HH12 ARG 11 -14.671 -11.596 7.914 94 1HH2 ARG 11 HH21 ARG 11 -11.234 -11.360 7.268 95 2HH2 ARG 11 HH22 ARG 11 -12.451 -11.851 8.406 96 H VAL 12 HN VAL 12 -14.630 -6.039 1.372 97 HA VAL 12 HA VAL 12 -11.974 -5.224 1.516 98 HB VAL 12 HB VAL 12 -14.034 -4.262 -0.479 99 1HG1 VAL 12 HG11 VAL 12 -11.033 -4.463 -0.700 100 2HG1 VAL 12 HG12 VAL 12 -11.969 -2.976 -0.551 101 3HG1 VAL 12 HG13 VAL 12 -12.135 -3.981 -1.991 102 1HG2 VAL 12 HG21 VAL 12 -13.260 -6.143 -1.877 103 2HG2 VAL 12 HG22 VAL 12 -14.056 -6.671 -0.395 104 3HG2 VAL 12 HG23 VAL 12 -12.297 -6.724 -0.516 105 H GLU 13 HN GLU 13 -14.922 -3.240 1.443 106 HA GLU 13 HA GLU 13 -13.748 -0.718 1.642 107 1HB GLU 13 HB2 GLU 13 -16.406 -1.631 2.765 108 2HB GLU 13 HB1 GLU 13 -15.929 0.041 2.503 109 1HG GLU 13 HG2 GLU 13 -15.756 -0.416 0.089 110 2HG GLU 13 HG1 GLU 13 -16.318 -2.062 0.384 111 H LYS 14 HN LYS 14 -14.819 -2.926 4.193 112 HA LYS 14 HA LYS 14 -14.394 -1.248 6.386 113 1HB LYS 14 HB2 LYS 14 -15.647 -3.359 6.505 114 2HB LYS 14 HB1 LYS 14 -14.158 -4.260 6.251 115 1HG LYS 14 HG2 LYS 14 -13.276 -3.304 8.360 116 2HG LYS 14 HG1 LYS 14 -14.842 -2.534 8.623 117 1HD LYS 14 HD2 LYS 14 -15.906 -4.758 8.581 118 2HD LYS 14 HD1 LYS 14 -14.313 -5.497 8.400 119 1HE LYS 14 HE2 LYS 14 -13.634 -4.465 10.535 120 2HE LYS 14 HE1 LYS 14 -15.268 -3.830 10.723 121 1HZ LYS 14 HZ1 LYS 14 -14.425 -6.671 10.700 122 2HZ LYS 14 HZ2 LYS 14 -16.045 -6.187 10.600 123 3HZ LYS 14 HZ3 LYS 14 -15.130 -5.807 11.978 124 H ILE 15 HN ILE 15 -12.230 -3.653 4.918 125 HA ILE 15 HA ILE 15 -10.096 -3.360 6.702 126 HB ILE 15 HB ILE 15 -9.937 -4.074 3.769 127 1HG1 ILE 15 HG12 ILE 15 -10.166 -5.926 6.147 128 2HG1 ILE 15 HG11 ILE 15 -11.540 -5.436 5.160 129 1HG2 ILE 15 HG21 ILE 15 -7.767 -3.528 4.735 130 2HG2 ILE 15 HG22 ILE 15 -7.884 -5.257 4.405 131 3HG2 ILE 15 HG23 ILE 15 -8.055 -4.662 6.056 132 1HD1 ILE 15 HD11 ILE 15 -10.567 -6.487 3.226 133 2HD1 ILE 15 HD12 ILE 15 -10.657 -7.644 4.554 134 3HD1 ILE 15 HD13 ILE 15 -9.117 -6.891 4.140 135 H ILE 16 HN ILE 16 -10.786 -1.697 3.650 136 HA ILE 16 HA ILE 16 -8.458 -0.145 3.511 137 HB ILE 16 HB ILE 16 -11.229 0.590 2.543 138 1HG1 ILE 16 HG12 ILE 16 -8.953 -0.702 1.029 139 2HG1 ILE 16 HG11 ILE 16 -10.326 -1.586 1.687 140 1HG2 ILE 16 HG21 ILE 16 -8.525 1.637 1.720 141 2HG2 ILE 16 HG22 ILE 16 -9.743 2.519 2.641 142 3HG2 ILE 16 HG23 ILE 16 -10.063 2.057 0.968 143 1HD1 ILE 16 HD11 ILE 16 -10.465 0.578 -0.400 144 2HD1 ILE 16 HD12 ILE 16 -11.834 -0.325 0.249 145 3HD1 ILE 16 HD13 ILE 16 -10.593 -1.157 -0.689 146 H GLN 17 HN GLN 17 -11.613 0.547 4.984 147 HA GLN 17 HA GLN 17 -10.993 3.153 5.852 148 1HB GLN 17 HB2 GLN 17 -13.294 2.303 5.670 149 2HB GLN 17 HB1 GLN 17 -12.989 1.192 6.999 150 1HG GLN 17 HG2 GLN 17 -14.216 3.075 7.819 151 2HG GLN 17 HG1 GLN 17 -12.582 3.127 8.477 152 1HE2 GLN 17 HE21 GLN 17 -12.639 5.313 8.882 153 2HE2 GLN 17 HE22 GLN 17 -12.601 6.496 7.614 154 H ASP 18 HN ASP 18 -10.640 -0.011 7.392 155 HA ASP 18 HA ASP 18 -9.936 0.989 9.956 156 1HB ASP 18 HB2 ASP 18 -10.684 -1.423 9.152 157 2HB ASP 18 HB1 ASP 18 -8.945 -1.672 9.029 158 H LEU 19 HN LEU 19 -8.077 0.117 7.091 159 HA LEU 19 HA LEU 19 -5.500 0.482 8.214 160 1HB LEU 19 HB2 LEU 19 -6.483 0.777 5.372 161 2HB LEU 19 HB1 LEU 19 -4.795 0.853 5.832 162 HG LEU 19 HG LEU 19 -6.564 -1.552 6.267 163 1HD1 LEU 19 HD11 LEU 19 -6.267 -1.138 3.893 164 2HD1 LEU 19 HD12 LEU 19 -5.338 -2.549 4.398 165 3HD1 LEU 19 HD13 LEU 19 -4.521 -1.011 4.117 166 1HD2 LEU 19 HD21 LEU 19 -3.576 -1.203 6.476 167 2HD2 LEU 19 HD22 LEU 19 -4.465 -2.710 6.705 168 3HD2 LEU 19 HD23 LEU 19 -4.692 -1.371 7.831 169 H LEU 20 HN LEU 20 -7.642 2.652 6.384 170 HA LEU 20 HA LEU 20 -6.026 4.950 6.529 171 1HB LEU 20 HB2 LEU 20 -9.031 4.688 6.350 172 2HB LEU 20 HB1 LEU 20 -8.159 6.194 6.139 173 HG LEU 20 HG LEU 20 -7.892 3.755 4.375 174 1HD1 LEU 20 HD11 LEU 20 -9.244 6.408 3.893 175 2HD1 LEU 20 HD12 LEU 20 -10.048 4.855 4.122 176 3HD1 LEU 20 HD13 LEU 20 -9.037 5.123 2.702 177 1HD2 LEU 20 HD21 LEU 20 -6.699 6.516 4.122 178 2HD2 LEU 20 HD22 LEU 20 -6.575 5.223 2.928 179 3HD2 LEU 20 HD23 LEU 20 -5.821 5.038 4.510 180 H ASP 21 HN ASP 21 -8.198 3.464 8.799 181 HA ASP 21 HA ASP 21 -8.420 5.644 10.585 182 1HB ASP 21 HB2 ASP 21 -9.904 3.611 10.558 183 2HB ASP 21 HB1 ASP 21 -8.583 2.726 11.317 184 H VAL 22 HN VAL 22 -6.129 2.960 10.315 185 HA VAL 22 HA VAL 22 -4.635 3.502 12.638 186 HB VAL 22 HB VAL 22 -3.617 2.430 9.994 187 1HG1 VAL 22 HG11 VAL 22 -1.815 1.436 11.331 188 2HG1 VAL 22 HG12 VAL 22 -2.433 2.259 12.764 189 3HG1 VAL 22 HG13 VAL 22 -1.798 3.198 11.412 190 1HG2 VAL 22 HG21 VAL 22 -4.603 0.958 12.434 191 2HG2 VAL 22 HG22 VAL 22 -3.924 0.221 10.982 192 3HG2 VAL 22 HG23 VAL 22 -5.454 1.096 10.896 193 H LEU 23 HN LEU 23 -4.549 4.839 9.400 194 HA LEU 23 HA LEU 23 -2.260 6.463 9.782 195 1HB LEU 23 HB2 LEU 23 -4.526 6.765 7.811 196 2HB LEU 23 HB1 LEU 23 -2.982 7.592 7.724 197 HG LEU 23 HG LEU 23 -3.396 4.607 7.497 198 1HD1 LEU 23 HD11 LEU 23 -4.195 5.829 5.547 199 2HD1 LEU 23 HD12 LEU 23 -2.728 4.928 5.170 200 3HD1 LEU 23 HD13 LEU 23 -2.649 6.670 5.430 201 1HD2 LEU 23 HD21 LEU 23 -0.881 6.244 7.178 202 2HD2 LEU 23 HD22 LEU 23 -1.032 4.501 6.959 203 3HD2 LEU 23 HD23 LEU 23 -1.257 5.212 8.558 204 H VAL 24 HN VAL 24 -5.712 6.971 10.332 205 HA VAL 24 HA VAL 24 -5.325 9.778 10.909 206 HB VAL 24 HB VAL 24 -7.470 8.736 9.937 207 1HG1 VAL 24 HG11 VAL 24 -8.029 8.223 12.852 208 2HG1 VAL 24 HG12 VAL 24 -7.742 6.984 11.635 209 3HG1 VAL 24 HG13 VAL 24 -9.161 8.025 11.515 210 1HG2 VAL 24 HG21 VAL 24 -8.874 10.444 10.996 211 2HG2 VAL 24 HG22 VAL 24 -7.284 11.072 10.559 212 3HG2 VAL 24 HG23 VAL 24 -7.642 10.673 12.238 213 H LYS 25 HN LYS 25 -5.322 6.785 12.669 214 HA LYS 25 HA LYS 25 -5.578 7.707 15.289 215 1HB LYS 25 HB2 LYS 25 -3.880 5.525 14.089 216 2HB LYS 25 HB1 LYS 25 -3.828 5.873 15.807 217 1HG LYS 25 HG2 LYS 25 -6.244 5.393 15.950 218 2HG LYS 25 HG1 LYS 25 -6.237 4.974 14.233 219 1HD LYS 25 HD2 LYS 25 -4.771 3.135 14.605 220 2HD LYS 25 HD1 LYS 25 -4.441 3.648 16.258 221 1HE LYS 25 HE2 LYS 25 -5.925 1.812 16.403 222 2HE LYS 25 HE1 LYS 25 -6.871 3.255 16.758 223 1HZ LYS 25 HZ1 LYS 25 -7.682 3.206 14.446 224 2HZ LYS 25 HZ2 LYS 25 -8.095 1.812 15.311 225 3HZ LYS 25 HZ3 LYS 25 -6.837 1.757 14.186 226 H GLU 26 HN GLU 26 -2.863 7.796 13.071 227 HA GLU 26 HA GLU 26 -1.159 9.062 15.078 228 1HB GLU 26 HB2 GLU 26 -0.574 8.048 12.293 229 2HB GLU 26 HB1 GLU 26 0.620 8.773 13.361 230 1HG GLU 26 HG2 GLU 26 -0.948 6.286 13.991 231 2HG GLU 26 HG1 GLU 26 0.686 6.307 13.328 232 H GLU 27 HN GLU 27 -3.033 9.858 12.297 233 HA GLU 27 HA GLU 27 -3.221 11.656 10.938 234 1HB GLU 27 HB2 GLU 27 -2.110 13.034 13.382 235 2HB GLU 27 HB1 GLU 27 -2.581 13.909 11.932 236 1HG GLU 27 HG2 GLU 27 -4.862 12.980 12.168 237 2HG GLU 27 HG1 GLU 27 -4.363 12.238 13.689 238 H VAL 28 HN VAL 28 -1.422 10.249 9.990 239 HA VAL 28 HA VAL 28 1.238 11.331 10.045 240 HB VAL 28 HB VAL 28 1.757 9.596 8.371 241 1HG1 VAL 28 HG11 VAL 28 1.869 9.018 10.717 242 2HG1 VAL 28 HG12 VAL 28 1.264 7.643 9.789 243 3HG1 VAL 28 HG13 VAL 28 0.148 8.633 10.731 244 1HG2 VAL 28 HG21 VAL 28 0.056 7.993 7.681 245 2HG2 VAL 28 HG22 VAL 28 -0.376 9.622 7.161 246 3HG2 VAL 28 HG23 VAL 28 -1.173 8.901 8.560 247 H THR 29 HN THR 29 2.381 12.180 8.272 248 HA THR 29 HA THR 29 0.848 13.815 6.467 249 HB THR 29 HB THR 29 3.134 14.407 5.554 250 HG1 THR 29 HG1 THR 29 4.924 13.665 6.832 251 1HG2 THR 29 HG21 THR 29 2.054 15.743 7.316 252 2HG2 THR 29 HG22 THR 29 3.808 15.708 7.507 253 3HG2 THR 29 HG23 THR 29 2.788 14.707 8.542 254 HA PRO 30 HA PRO 30 0.570 11.197 2.880 255 1HB PRO 30 HB2 PRO 30 2.098 13.298 1.415 256 2HB PRO 30 HB1 PRO 30 0.565 12.525 0.995 257 1HG PRO 30 HG2 PRO 30 0.618 15.006 1.968 258 2HG PRO 30 HG1 PRO 30 -0.660 13.871 2.433 259 1HD PRO 30 HD2 PRO 30 1.699 14.806 3.989 260 2HD PRO 30 HD1 PRO 30 0.076 14.363 4.552 261 H ASP 31 HN ASP 31 3.669 12.879 3.246 262 HA ASP 31 HA ASP 31 5.299 11.091 1.847 263 1HB ASP 31 HB2 ASP 31 6.027 13.322 2.548 264 2HB ASP 31 HB1 ASP 31 5.969 12.828 4.236 265 H LEU 32 HN LEU 32 4.592 11.241 5.330 266 HA LEU 32 HA LEU 32 6.113 8.962 6.021 267 1HB LEU 32 HB2 LEU 32 5.467 10.701 7.630 268 2HB LEU 32 HB1 LEU 32 3.784 10.245 7.456 269 HG LEU 32 HG LEU 32 4.267 8.051 8.452 270 1HD1 LEU 32 HD11 LEU 32 6.445 7.619 9.476 271 2HD1 LEU 32 HD12 LEU 32 7.064 9.122 8.792 272 3HD1 LEU 32 HD13 LEU 32 6.579 7.803 7.727 273 1HD2 LEU 32 HD21 LEU 32 4.683 8.820 10.725 274 2HD2 LEU 32 HD22 LEU 32 3.587 9.915 9.882 275 3HD2 LEU 32 HD23 LEU 32 5.279 10.359 10.105 276 H ALA 33 HN ALA 33 2.705 9.445 5.245 277 HA ALA 33 HA ALA 33 1.730 6.914 5.900 278 1HB ALA 33 HB1 ALA 33 0.792 8.754 3.700 279 2HB ALA 33 HB2 ALA 33 0.287 8.817 5.388 280 3HB ALA 33 HB3 ALA 33 -0.128 7.419 4.398 281 H LEU 34 HN LEU 34 2.819 8.110 2.715 282 HA LEU 34 HA LEU 34 2.404 5.681 1.361 283 1HB LEU 34 HB2 LEU 34 4.319 7.921 0.721 284 2HB LEU 34 HB1 LEU 34 3.898 6.621 -0.377 285 HG LEU 34 HG LEU 34 2.006 8.721 0.691 286 1HD1 LEU 34 HD11 LEU 34 3.548 9.602 -0.961 287 2HD1 LEU 34 HD12 LEU 34 1.929 9.467 -1.645 288 3HD1 LEU 34 HD13 LEU 34 3.163 8.275 -2.056 289 1HD2 LEU 34 HD21 LEU 34 1.523 6.463 -1.251 290 2HD2 LEU 34 HD22 LEU 34 0.378 7.744 -0.851 291 3HD2 LEU 34 HD23 LEU 34 0.873 6.587 0.384 292 H MET 35 HN MET 35 5.177 6.908 3.144 293 HA MET 35 HA MET 35 7.015 4.941 2.276 294 1HB MET 35 HB2 MET 35 7.710 7.055 3.329 295 2HB MET 35 HB1 MET 35 6.998 6.530 4.849 296 1HG MET 35 HG2 MET 35 8.596 4.764 5.061 297 2HG MET 35 HG1 MET 35 9.229 5.084 3.447 298 1HE MET 35 HE1 MET 35 9.707 7.997 6.996 299 2HE MET 35 HE2 MET 35 8.893 6.437 7.122 300 3HE MET 35 HE3 MET 35 8.173 7.733 6.165 301 H CYS 36 HN CYS 36 4.861 5.121 5.094 302 HA CYS 36 HA CYS 36 5.701 2.607 6.153 303 1HB CYS 36 HB2 CYS 36 3.218 4.250 6.677 304 2HB CYS 36 HB1 CYS 36 3.672 2.817 7.595 305 HG CYS 36 HG CYS 36 5.665 3.873 8.978 306 H LEU 37 HN LEU 37 2.978 3.651 4.136 307 HA LEU 37 HA LEU 37 1.620 1.196 4.038 308 1HB LEU 37 HB2 LEU 37 1.760 3.449 2.039 309 2HB LEU 37 HB1 LEU 37 0.682 2.078 1.873 310 HG LEU 37 HG LEU 37 0.632 4.032 4.174 311 1HD1 LEU 37 HD11 LEU 37 -0.039 5.135 2.133 312 2HD1 LEU 37 HD12 LEU 37 -1.457 4.834 3.137 313 3HD1 LEU 37 HD13 LEU 37 -1.135 3.807 1.741 314 1HD2 LEU 37 HD21 LEU 37 -0.174 1.790 4.750 315 2HD2 LEU 37 HD22 LEU 37 -1.300 1.849 3.395 316 3HD2 LEU 37 HD23 LEU 37 -1.483 2.971 4.744 317 H GLY 38 HN GLY 38 4.148 2.524 1.940 318 1HA GLY 38 HA2 GLY 38 4.192 0.518 0.007 319 2HA GLY 38 HA1 GLY 38 5.575 1.503 0.461 320 H ASN 39 HN ASN 39 5.942 0.678 3.088 321 HA ASN 39 HA ASN 39 7.430 -1.685 2.748 322 1HB ASN 39 HB2 ASN 39 6.626 -0.052 5.120 323 2HB ASN 39 HB1 ASN 39 7.343 -1.642 5.377 324 1HD2 ASN 39 HD21 ASN 39 7.877 1.590 4.183 325 2HD2 ASN 39 HD22 ASN 39 9.601 1.476 4.103 326 H ALA 40 HN ALA 40 4.216 -1.109 4.081 327 HA ALA 40 HA ALA 40 3.774 -3.729 5.047 328 1HB ALA 40 HB1 ALA 40 2.420 -1.775 5.715 329 2HB ALA 40 HB2 ALA 40 1.437 -3.124 5.151 330 3HB ALA 40 HB3 ALA 40 1.714 -1.737 4.099 331 H VAL 41 HN VAL 41 3.213 -2.180 1.932 332 HA VAL 41 HA VAL 41 1.820 -4.336 0.732 333 HB VAL 41 HB VAL 41 3.464 -2.181 -0.613 334 1HG1 VAL 41 HG11 VAL 41 2.078 -2.667 -2.586 335 2HG1 VAL 41 HG12 VAL 41 1.339 -4.012 -1.717 336 3HG1 VAL 41 HG13 VAL 41 3.058 -4.053 -2.104 337 1HG2 VAL 41 HG21 VAL 41 1.323 -1.037 -0.939 338 2HG2 VAL 41 HG22 VAL 41 1.692 -1.244 0.774 339 3HG2 VAL 41 HG23 VAL 41 0.512 -2.296 -0.008 340 H THR 42 HN THR 42 5.245 -3.341 0.595 341 HA THR 42 HA THR 42 6.107 -5.416 -1.086 342 HB THR 42 HB THR 42 7.720 -3.994 1.046 343 HG1 THR 42 HG1 THR 42 8.285 -2.863 -1.162 344 1HG2 THR 42 HG21 THR 42 9.633 -4.487 -0.424 345 2HG2 THR 42 HG22 THR 42 8.570 -5.401 -1.493 346 3HG2 THR 42 HG23 THR 42 8.859 -5.963 0.153 347 H ASN 43 HN ASN 43 5.632 -5.293 2.393 348 HA ASN 43 HA ASN 43 6.952 -7.681 3.080 349 1HB ASN 43 HB2 ASN 43 6.257 -6.026 4.751 350 2HB ASN 43 HB1 ASN 43 4.565 -6.363 4.400 351 1HD2 ASN 43 HD21 ASN 43 3.615 -8.175 5.235 352 2HD2 ASN 43 HD22 ASN 43 4.380 -9.189 6.405 353 H ILE 44 HN ILE 44 3.808 -7.062 1.709 354 HA ILE 44 HA ILE 44 2.883 -9.772 2.100 355 HB ILE 44 HB ILE 44 1.717 -7.543 0.419 356 1HG1 ILE 44 HG12 ILE 44 1.745 -6.982 2.799 357 2HG1 ILE 44 HG11 ILE 44 0.098 -7.297 2.263 358 1HG2 ILE 44 HG21 ILE 44 -0.343 -8.883 0.423 359 2HG2 ILE 44 HG22 ILE 44 0.514 -10.179 1.259 360 3HG2 ILE 44 HG23 ILE 44 0.990 -9.718 -0.376 361 1HD1 ILE 44 HD11 ILE 44 1.856 -9.214 3.778 362 2HD1 ILE 44 HD12 ILE 44 0.201 -9.521 3.252 363 3HD1 ILE 44 HD13 ILE 44 0.527 -8.267 4.448 364 H ILE 45 HN ILE 45 4.113 -7.781 -0.545 365 HA ILE 45 HA ILE 45 3.757 -9.663 -2.616 366 HB ILE 45 HB ILE 45 5.783 -7.424 -2.442 367 1HG1 ILE 45 HG12 ILE 45 3.012 -7.460 -3.666 368 2HG1 ILE 45 HG11 ILE 45 3.434 -6.690 -2.139 369 1HG2 ILE 45 HG21 ILE 45 5.719 -7.508 -4.915 370 2HG2 ILE 45 HG22 ILE 45 4.727 -8.963 -4.808 371 3HG2 ILE 45 HG23 ILE 45 6.378 -8.974 -4.188 372 1HD1 ILE 45 HD11 ILE 45 3.286 -5.065 -3.931 373 2HD1 ILE 45 HD12 ILE 45 4.507 -5.948 -4.848 374 3HD1 ILE 45 HD13 ILE 45 4.937 -5.176 -3.323 375 H ALA 46 HN ALA 46 6.325 -9.182 -0.285 376 HA ALA 46 HA ALA 46 8.299 -10.759 -1.558 377 1HB ALA 46 HB1 ALA 46 7.973 -10.139 1.377 378 2HB ALA 46 HB2 ALA 46 8.836 -9.152 0.198 379 3HB ALA 46 HB3 ALA 46 9.431 -10.762 0.604 380 H GLN 47 HN GLN 47 5.387 -11.682 -0.134 381 HA GLN 47 HA GLN 47 6.341 -14.293 0.750 382 1HB GLN 47 HB2 GLN 47 3.529 -13.185 0.707 383 2HB GLN 47 HB1 GLN 47 4.065 -14.645 1.529 384 1HG GLN 47 HG2 GLN 47 5.442 -13.336 3.024 385 2HG GLN 47 HG1 GLN 47 5.004 -11.860 2.163 386 1HE2 GLN 47 HE21 GLN 47 4.086 -10.874 3.924 387 2HE2 GLN 47 HE22 GLN 47 2.593 -11.408 4.622 388 H VAL 48 HN VAL 48 5.439 -12.892 -2.102 389 HA VAL 48 HA VAL 48 4.075 -15.209 -3.230 390 HB VAL 48 HB VAL 48 4.978 -12.702 -4.669 391 1HG1 VAL 48 HG11 VAL 48 4.363 -14.562 -6.119 392 2HG1 VAL 48 HG12 VAL 48 3.182 -13.257 -6.238 393 3HG1 VAL 48 HG13 VAL 48 2.806 -14.702 -5.300 394 1HG2 VAL 48 HG21 VAL 48 2.712 -11.816 -4.302 395 2HG2 VAL 48 HG22 VAL 48 3.585 -12.038 -2.787 396 3HG2 VAL 48 HG23 VAL 48 2.348 -13.197 -3.267 397 HA PRO 49 HA PRO 49 7.907 -16.941 -4.785 398 1HB PRO 49 HB2 PRO 49 6.266 -18.136 -6.925 399 2HB PRO 49 HB1 PRO 49 7.264 -18.927 -5.703 400 1HG PRO 49 HG2 PRO 49 4.581 -18.995 -5.597 401 2HG PRO 49 HG1 PRO 49 5.576 -18.925 -4.130 402 1HD PRO 49 HD2 PRO 49 4.051 -16.738 -5.493 403 2HD PRO 49 HD1 PRO 49 4.247 -17.066 -3.758 404 H GLU 50 HN GLU 50 9.326 -16.673 -6.465 405 HA GLU 50 HA GLU 50 9.242 -14.117 -7.577 406 1HB GLU 50 HB2 GLU 50 11.237 -15.696 -7.022 407 2HB GLU 50 HB1 GLU 50 11.039 -16.236 -8.685 408 1HG GLU 50 HG2 GLU 50 12.715 -14.527 -8.621 409 2HG GLU 50 HG1 GLU 50 11.285 -13.891 -9.435 410 H SER 51 HN SER 51 7.953 -17.035 -8.848 411 HA SER 51 HA SER 51 8.274 -16.556 -11.602 412 1HB SER 51 HB2 SER 51 7.622 -18.750 -10.631 413 2HB SER 51 HB1 SER 51 6.042 -18.077 -10.233 414 HG SER 51 HG SER 51 6.953 -17.879 -12.884 415 H LYS 52 HN LYS 52 5.919 -15.382 -9.271 416 HA LYS 52 HA LYS 52 4.867 -13.661 -11.397 417 1HB LYS 52 HB2 LYS 52 2.568 -13.915 -10.573 418 2HB LYS 52 HB1 LYS 52 3.227 -15.426 -11.172 419 1HG LYS 52 HG2 LYS 52 3.262 -14.768 -8.250 420 2HG LYS 52 HG1 LYS 52 1.834 -15.456 -9.018 421 1HD LYS 52 HD2 LYS 52 4.589 -16.673 -8.862 422 2HD LYS 52 HD1 LYS 52 3.139 -17.224 -8.025 423 1HE LYS 52 HE2 LYS 52 3.618 -17.241 -11.003 424 2HE LYS 52 HE1 LYS 52 3.606 -18.644 -9.937 425 1HZ LYS 52 HZ1 LYS 52 1.529 -18.526 -11.059 426 2HZ LYS 52 HZ2 LYS 52 1.302 -16.902 -10.640 427 3HZ LYS 52 HZ3 LYS 52 1.241 -18.105 -9.442 428 H ARG 53 HN ARG 53 6.519 -13.654 -8.693 429 HA ARG 53 HA ARG 53 5.176 -11.806 -7.022 430 1HB ARG 53 HB2 ARG 53 6.973 -13.169 -6.150 431 2HB ARG 53 HB1 ARG 53 8.111 -12.473 -7.292 432 1HG ARG 53 HG2 ARG 53 8.230 -10.461 -6.149 433 2HG ARG 53 HG1 ARG 53 6.700 -10.733 -5.314 434 1HD ARG 53 HD2 ARG 53 8.671 -10.982 -3.845 435 2HD ARG 53 HD1 ARG 53 7.690 -12.442 -3.948 436 HE ARG 53 HE ARG 53 9.841 -12.438 -5.834 437 1HH1 ARG 53 HH11 ARG 53 8.916 -13.187 -2.547 438 2HH1 ARG 53 HH12 ARG 53 10.304 -14.184 -2.243 439 1HH2 ARG 53 HH21 ARG 53 11.695 -13.723 -5.425 440 2HH2 ARG 53 HH22 ARG 53 11.868 -14.505 -3.882 441 H VAL 54 HN VAL 54 7.440 -11.431 -9.691 442 HA VAL 54 HA VAL 54 7.623 -8.589 -9.458 443 HB VAL 54 HB VAL 54 8.197 -10.334 -11.864 444 1HG1 VAL 54 HG11 VAL 54 9.066 -7.521 -11.213 445 2HG1 VAL 54 HG12 VAL 54 7.939 -8.003 -12.481 446 3HG1 VAL 54 HG13 VAL 54 9.636 -8.476 -12.583 447 1HG2 VAL 54 HG21 VAL 54 10.521 -10.265 -11.140 448 2HG2 VAL 54 HG22 VAL 54 9.503 -10.996 -9.899 449 3HG2 VAL 54 HG23 VAL 54 10.063 -9.333 -9.716 450 H ALA 55 HN ALA 55 5.503 -10.840 -11.063 451 HA ALA 55 HA ALA 55 4.273 -8.998 -12.837 452 1HB ALA 55 HB1 ALA 55 3.216 -11.609 -11.762 453 2HB ALA 55 HB2 ALA 55 4.198 -11.405 -13.214 454 3HB ALA 55 HB3 ALA 55 2.575 -10.722 -13.145 455 H VAL 56 HN VAL 56 3.410 -10.171 -9.587 456 HA VAL 56 HA VAL 56 0.892 -8.874 -9.549 457 HB VAL 56 HB VAL 56 0.863 -9.275 -7.120 458 1HG1 VAL 56 HG11 VAL 56 0.110 -11.009 -8.629 459 2HG1 VAL 56 HG12 VAL 56 0.930 -11.730 -7.245 460 3HG1 VAL 56 HG13 VAL 56 1.758 -11.614 -8.797 461 1HG2 VAL 56 HG21 VAL 56 3.216 -8.925 -6.611 462 2HG2 VAL 56 HG22 VAL 56 3.646 -10.364 -7.532 463 3HG2 VAL 56 HG23 VAL 56 2.690 -10.514 -6.058 464 H VAL 57 HN VAL 57 4.103 -7.835 -8.426 465 HA VAL 57 HA VAL 57 3.090 -5.414 -7.285 466 HB VAL 57 HB VAL 57 5.218 -6.295 -6.487 467 1HG1 VAL 57 HG11 VAL 57 7.240 -6.210 -7.848 468 2HG1 VAL 57 HG12 VAL 57 6.294 -5.662 -9.232 469 3HG1 VAL 57 HG13 VAL 57 6.035 -7.277 -8.572 470 1HG2 VAL 57 HG21 VAL 57 5.533 -3.638 -7.871 471 2HG2 VAL 57 HG22 VAL 57 6.540 -4.239 -6.553 472 3HG2 VAL 57 HG23 VAL 57 4.829 -3.910 -6.276 473 H ASP 58 HN ASP 58 4.166 -6.404 -10.447 474 HA ASP 58 HA ASP 58 4.437 -3.811 -11.576 475 1HB ASP 58 HB2 ASP 58 5.303 -5.966 -12.582 476 2HB ASP 58 HB1 ASP 58 3.642 -6.330 -13.034 477 H ASN 59 HN ASN 59 1.817 -6.221 -11.707 478 HA ASN 59 HA ASN 59 -0.083 -4.589 -12.972 479 1HB ASN 59 HB2 ASN 59 -0.308 -6.998 -11.185 480 2HB ASN 59 HB1 ASN 59 -1.748 -6.162 -11.759 481 1HD2 ASN 59 HD21 ASN 59 -0.672 -8.873 -12.311 482 2HD2 ASN 59 HD22 ASN 59 -0.569 -8.968 -14.041 483 H PHE 60 HN PHE 60 0.733 -5.025 -9.580 484 HA PHE 60 HA PHE 60 -1.269 -3.499 -8.388 485 1HB PHE 60 HB2 PHE 60 0.469 -4.874 -7.198 486 2HB PHE 60 HB1 PHE 60 1.636 -3.598 -7.548 487 HD1 PHE 60 HD1 PHE 60 -1.587 -4.244 -5.825 488 HD2 PHE 60 HD2 PHE 60 1.882 -1.803 -6.118 489 HE1 PHE 60 HE1 PHE 60 -2.236 -3.078 -3.759 490 HE2 PHE 60 HE2 PHE 60 1.239 -0.629 -4.055 491 HZ PHE 60 HZ PHE 60 -0.821 -1.271 -2.869 492 H THR 61 HN THR 61 2.003 -2.457 -9.294 493 HA THR 61 HA THR 61 1.540 0.261 -8.701 494 HB THR 61 HB THR 61 3.673 0.632 -10.016 495 HG1 THR 61 HG1 THR 61 3.726 -2.218 -10.096 496 1HG2 THR 61 HG21 THR 61 3.678 -1.444 -7.822 497 2HG2 THR 61 HG22 THR 61 3.701 0.311 -7.609 498 3HG2 THR 61 HG23 THR 61 5.079 -0.511 -8.346 499 H LYS 62 HN LYS 62 1.363 -1.617 -11.677 500 HA LYS 62 HA LYS 62 1.033 0.485 -13.495 501 1HB LYS 62 HB2 LYS 62 1.341 -2.057 -13.884 502 2HB LYS 62 HB1 LYS 62 -0.409 -2.139 -13.752 503 1HG LYS 62 HG2 LYS 62 0.333 -2.037 -16.076 504 2HG LYS 62 HG1 LYS 62 -0.642 -0.630 -15.642 505 1HD LYS 62 HD2 LYS 62 1.257 0.767 -15.514 506 2HD LYS 62 HD1 LYS 62 2.361 -0.609 -15.519 507 1HE LYS 62 HE2 LYS 62 0.575 0.128 -17.829 508 2HE LYS 62 HE1 LYS 62 2.255 0.643 -17.677 509 1HZ LYS 62 HZ1 LYS 62 2.834 -1.773 -17.526 510 2HZ LYS 62 HZ2 LYS 62 2.232 -1.276 -19.028 511 3HZ LYS 62 HZ3 LYS 62 1.231 -2.130 -17.960 512 H ALA 63 HN ALA 63 -1.485 -1.466 -11.876 513 HA ALA 63 HA ALA 63 -3.620 0.073 -12.977 514 1HB ALA 63 HB1 ALA 63 -5.067 -1.246 -11.528 515 2HB ALA 63 HB2 ALA 63 -3.657 -1.843 -10.650 516 3HB ALA 63 HB3 ALA 63 -3.890 -2.276 -12.342 517 H LEU 64 HN LEU 64 -1.769 0.244 -10.016 518 HA LEU 64 HA LEU 64 -3.503 1.887 -8.532 519 1HB LEU 64 HB2 LEU 64 -1.367 0.633 -7.805 520 2HB LEU 64 HB1 LEU 64 -0.504 2.045 -8.375 521 HG LEU 64 HG LEU 64 -2.695 2.416 -6.369 522 1HD1 LEU 64 HD11 LEU 64 0.109 1.532 -5.698 523 2HD1 LEU 64 HD12 LEU 64 -1.344 0.552 -5.514 524 3HD1 LEU 64 HD13 LEU 64 -1.140 2.013 -4.548 525 1HD2 LEU 64 HD21 LEU 64 -1.637 4.387 -7.310 526 2HD2 LEU 64 HD22 LEU 64 -0.044 3.766 -6.869 527 3HD2 LEU 64 HD23 LEU 64 -1.196 4.214 -5.609 528 H LYS 65 HN LYS 65 -0.821 2.708 -10.734 529 HA LYS 65 HA LYS 65 -1.158 5.508 -10.454 530 1HB LYS 65 HB2 LYS 65 0.147 3.909 -12.652 531 2HB LYS 65 HB1 LYS 65 0.176 5.666 -12.568 532 1HG LYS 65 HG2 LYS 65 1.202 5.365 -10.252 533 2HG LYS 65 HG1 LYS 65 1.455 3.683 -10.721 534 1HD LYS 65 HD2 LYS 65 2.476 6.073 -12.255 535 2HD LYS 65 HD1 LYS 65 3.432 5.121 -11.120 536 1HE LYS 65 HE2 LYS 65 3.137 3.143 -12.505 537 2HE LYS 65 HE1 LYS 65 2.127 4.060 -13.623 538 1HZ LYS 65 HZ1 LYS 65 4.972 4.667 -13.022 539 2HZ LYS 65 HZ2 LYS 65 3.995 5.455 -14.164 540 3HZ LYS 65 HZ3 LYS 65 4.433 3.832 -14.397 541 H GLN 66 HN GLN 66 -2.604 3.132 -12.612 542 HA GLN 66 HA GLN 66 -3.836 4.941 -14.391 543 1HB GLN 66 HB2 GLN 66 -4.765 2.198 -13.512 544 2HB GLN 66 HB1 GLN 66 -5.420 3.092 -14.876 545 1HG GLN 66 HG2 GLN 66 -3.223 3.024 -15.959 546 2HG GLN 66 HG1 GLN 66 -2.593 2.100 -14.596 547 1HE2 GLN 66 HE21 GLN 66 -2.087 0.301 -15.791 548 2HE2 GLN 66 HE22 GLN 66 -3.281 -0.743 -16.488 549 H SER 67 HN SER 67 -4.615 3.914 -11.171 550 HA SER 67 HA SER 67 -7.295 5.017 -11.267 551 1HB SER 67 HB2 SER 67 -5.772 3.859 -8.919 552 2HB SER 67 HB1 SER 67 -7.501 4.200 -8.982 553 HG SER 67 HG SER 67 -6.041 2.244 -10.432 554 H VAL 68 HN VAL 68 -4.130 6.049 -10.421 555 HA VAL 68 HA VAL 68 -5.109 8.202 -8.710 556 HB VAL 68 HB VAL 68 -2.294 7.373 -9.434 557 1HG1 VAL 68 HG11 VAL 68 -2.349 9.774 -9.096 558 2HG1 VAL 68 HG12 VAL 68 -1.572 8.990 -7.718 559 3HG1 VAL 68 HG13 VAL 68 -3.234 9.564 -7.587 560 1HG2 VAL 68 HG21 VAL 68 -2.168 6.698 -7.086 561 2HG2 VAL 68 HG22 VAL 68 -3.460 5.844 -7.927 562 3HG2 VAL 68 HG23 VAL 68 -3.848 7.188 -6.853 563 H LEU 69 HN LEU 69 -3.474 7.777 -11.829 564 HA LEU 69 HA LEU 69 -2.941 10.493 -12.307 565 1HB LEU 69 HB2 LEU 69 -3.019 8.035 -13.941 566 2HB LEU 69 HB1 LEU 69 -3.183 9.543 -14.818 567 HG LEU 69 HG LEU 69 -1.048 10.323 -13.882 568 1HD1 LEU 69 HD11 LEU 69 -0.867 7.580 -12.652 569 2HD1 LEU 69 HD12 LEU 69 -1.091 9.095 -11.775 570 3HD1 LEU 69 HD13 LEU 69 0.405 8.801 -12.663 571 1HD2 LEU 69 HD21 LEU 69 -0.900 7.621 -15.208 572 2HD2 LEU 69 HD22 LEU 69 0.406 8.804 -15.130 573 3HD2 LEU 69 HD23 LEU 69 -1.069 9.176 -16.024 574 H GLU 70 HN GLU 70 -5.809 8.558 -12.994 575 HA GLU 70 HA GLU 70 -7.098 10.917 -14.140 576 1HB GLU 70 HB2 GLU 70 -7.386 8.645 -15.197 577 2HB GLU 70 HB1 GLU 70 -8.291 8.164 -13.768 578 1HG GLU 70 HG2 GLU 70 -9.942 9.898 -14.222 579 2HG GLU 70 HG1 GLU 70 -9.030 10.399 -15.645 580 H HIS 71 HN HIS 71 -8.902 8.595 -12.289 581 HA HIS 71 HA HIS 71 -10.088 8.658 -10.367 582 1HB HIS 71 HB2 HIS 71 -7.641 9.109 -9.570 583 2HB HIS 71 HB1 HIS 71 -8.251 10.723 -9.221 584 HD1 HIS 71 HD1 HIS 71 -9.273 11.005 -6.971 585 HD2 HIS 71 HD2 HIS 71 -9.252 7.030 -8.206 586 HE1 HIS 71 HE1 HIS 71 -10.116 9.675 -5.008 587 HE2 HIS 71 HE2 HIS 71 -10.261 7.297 -5.840 588 H HIS 72 HN HIS 72 -8.953 12.009 -10.359 589 HA HIS 72 HA HIS 72 -11.348 13.145 -9.459 590 1HB HIS 72 HB2 HIS 72 -9.083 14.181 -9.337 591 2HB HIS 72 HB1 HIS 72 -9.137 14.444 -11.073 592 HD1 HIS 72 HD1 HIS 72 -9.576 16.799 -11.561 593 HD2 HIS 72 HD2 HIS 72 -11.595 15.539 -8.149 594 HE1 HIS 72 HE1 HIS 72 -10.824 18.816 -10.727 595 HE2 HIS 72 HE2 HIS 72 -11.761 18.100 -8.499 596 H HIS 73 HN HIS 73 -13.239 13.332 -10.488 597 HA HIS 73 HA HIS 73 -13.268 12.893 -13.366 598 1HB HIS 73 HB2 HIS 73 -15.447 12.790 -11.286 599 2HB HIS 73 HB1 HIS 73 -15.770 12.663 -13.013 600 HD1 HIS 73 HD1 HIS 73 -15.142 10.597 -10.153 601 HD2 HIS 73 HD2 HIS 73 -14.135 10.425 -14.187 602 HE1 HIS 73 HE1 HIS 73 -14.550 8.197 -10.606 603 HE2 HIS 73 HE2 HIS 73 -13.737 8.166 -12.991 604 H HIS 74 HN HIS 74 -15.256 15.059 -11.268 605 HA HIS 74 HA HIS 74 -14.668 17.278 -13.013 606 1HB HIS 74 HB2 HIS 74 -16.841 17.615 -13.955 607 2HB HIS 74 HB1 HIS 74 -16.368 15.961 -14.315 608 HD1 HIS 74 HD1 HIS 74 -19.101 17.920 -12.943 609 HD2 HIS 74 HD2 HIS 74 -17.685 14.029 -12.484 610 HE1 HIS 74 HE1 HIS 74 -20.999 16.618 -11.942 611 HE2 HIS 74 HE2 HIS 74 -20.065 14.325 -11.504 612 H HIS 75 HN HIS 75 -15.185 19.232 -12.182 613 HA HIS 75 HA HIS 75 -16.646 19.338 -9.647 614 1HB HIS 75 HB2 HIS 75 -16.020 21.674 -9.530 615 2HB HIS 75 HB1 HIS 75 -14.583 20.750 -9.941 616 HD1 HIS 75 HD1 HIS 75 -16.654 23.563 -11.060 617 HD2 HIS 75 HD2 HIS 75 -13.819 21.014 -12.730 618 HE1 HIS 75 HE1 HIS 75 -15.895 24.681 -13.178 619 HE2 HIS 75 HE2 HIS 75 -14.379 23.002 -14.288 620 H HIS 76 HN HIS 76 -18.478 20.950 -9.522 621 HA HIS 76 HA HIS 76 -20.504 21.708 -10.212 622 1HB HIS 76 HB2 HIS 76 -19.572 23.092 -11.881 623 2HB HIS 76 HB1 HIS 76 -19.081 21.726 -12.873 624 HD1 HIS 76 HD1 HIS 76 -22.207 23.630 -11.861 625 HD2 HIS 76 HD2 HIS 76 -20.887 20.981 -14.789 626 HE1 HIS 76 HE1 HIS 76 -24.051 23.520 -13.562 627 HE2 HIS 76 HE2 HIS 76 -23.258 21.884 -15.305 628 1H MET 1 HT1 MET 1 8.991 20.416 15.399 629 2H MET 1 HT2 MET 1 9.682 20.725 16.916 630 3H MET 1 HT3 MET 1 8.366 19.666 16.789 631 HA MET 1 HA MET 1 10.391 18.429 17.094 632 1HB MET 1 HB2 MET 1 9.282 18.249 14.279 633 2HB MET 1 HB1 MET 1 10.301 17.029 15.026 634 1HG MET 1 HG2 MET 1 8.099 16.233 15.205 635 2HG MET 1 HG1 MET 1 8.537 16.812 16.810 636 1HE MET 1 HE1 MET 1 6.410 17.456 13.580 637 2HE MET 1 HE2 MET 1 7.484 18.855 13.606 638 3HE MET 1 HE3 MET 1 5.756 19.064 13.892 639 HA PRO 2 HA PRO 2 14.113 20.171 15.450 640 1HB PRO 2 HB2 PRO 2 15.690 17.943 15.380 641 2HB PRO 2 HB1 PRO 2 15.320 18.829 16.863 642 1HG PRO 2 HG2 PRO 2 14.098 16.322 15.797 643 2HG PRO 2 HG1 PRO 2 14.536 16.734 17.464 644 1HD PRO 2 HD2 PRO 2 11.990 16.851 16.558 645 2HD PRO 2 HD1 PRO 2 12.611 17.953 17.803 646 H ILE 3 HN ILE 3 14.446 20.736 13.415 647 HA ILE 3 HA ILE 3 13.527 19.239 11.197 648 HB ILE 3 HB ILE 3 14.707 20.905 9.805 649 1HG1 ILE 3 HG12 ILE 3 15.648 22.038 12.448 650 2HG1 ILE 3 HG11 ILE 3 16.673 21.215 11.278 651 1HG2 ILE 3 HG21 ILE 3 13.425 22.858 10.532 652 2HG2 ILE 3 HG22 ILE 3 13.147 22.091 12.095 653 3HG2 ILE 3 HG23 ILE 3 12.465 21.380 10.631 654 1HD1 ILE 3 HD11 ILE 3 16.934 23.619 11.129 655 2HD1 ILE 3 HD12 ILE 3 15.206 23.808 10.835 656 3HD1 ILE 3 HD13 ILE 3 16.218 22.981 9.650 657 H VAL 4 HN VAL 4 15.000 18.711 9.321 658 HA VAL 4 HA VAL 4 16.681 17.515 8.375 659 HB VAL 4 HB VAL 4 18.347 18.194 10.812 660 1HG1 VAL 4 HG11 VAL 4 19.148 17.439 8.005 661 2HG1 VAL 4 HG12 VAL 4 19.319 16.434 9.445 662 3HG1 VAL 4 HG13 VAL 4 20.251 17.924 9.293 663 1HG2 VAL 4 HG21 VAL 4 17.482 20.239 9.855 664 2HG2 VAL 4 HG22 VAL 4 17.989 19.735 8.245 665 3HG2 VAL 4 HG23 VAL 4 19.198 20.089 9.479 666 H SER 5 HN SER 5 15.011 16.658 10.997 667 HA SER 5 HA SER 5 16.235 13.990 11.147 668 1HB SER 5 HB2 SER 5 14.311 15.320 13.076 669 2HB SER 5 HB1 SER 5 15.013 13.711 13.264 670 HG SER 5 HG SER 5 16.514 16.119 13.070 671 H LYS 6 HN LYS 6 15.251 12.497 9.949 672 HA LYS 6 HA LYS 6 12.647 13.032 8.833 673 1HB LYS 6 HB2 LYS 6 14.444 10.617 8.550 674 2HB LYS 6 HB1 LYS 6 12.962 10.883 7.643 675 1HG LYS 6 HG2 LYS 6 13.970 12.948 6.707 676 2HG LYS 6 HG1 LYS 6 15.477 12.529 7.526 677 1HD LYS 6 HD2 LYS 6 15.566 10.422 6.281 678 2HD LYS 6 HD1 LYS 6 14.061 10.842 5.461 679 1HE LYS 6 HE2 LYS 6 15.899 11.347 4.002 680 2HE LYS 6 HE1 LYS 6 15.183 12.861 4.550 681 1HZ LYS 6 HZ1 LYS 6 17.654 11.610 5.631 682 2HZ LYS 6 HZ2 LYS 6 16.962 13.053 6.192 683 3HZ LYS 6 HZ3 LYS 6 17.583 12.973 4.617 684 H TYR 7 HN TYR 7 11.485 13.094 10.810 685 HA TYR 7 HA TYR 7 9.895 12.261 12.196 686 1HB TYR 7 HB2 TYR 7 10.215 9.673 10.660 687 2HB TYR 7 HB1 TYR 7 8.836 10.152 11.641 688 HD1 TYR 7 HD1 TYR 7 7.342 11.991 10.851 689 HD2 TYR 7 HD2 TYR 7 10.447 10.404 8.414 690 HE1 TYR 7 HE1 TYR 7 6.286 12.986 8.864 691 HE2 TYR 7 HE2 TYR 7 9.402 11.393 6.425 692 HH TYR 7 HH TYR 7 7.405 12.247 5.636 693 H SER 8 HN SER 8 9.460 9.911 13.440 694 HA SER 8 HA SER 8 11.978 9.333 14.835 695 1HB SER 8 HB2 SER 8 10.330 8.487 16.640 696 2HB SER 8 HB1 SER 8 10.472 10.231 16.416 697 HG SER 8 HG SER 8 8.279 9.544 16.521 698 H ASN 9 HN ASN 9 12.802 7.340 14.589 699 HA ASN 9 HA ASN 9 11.743 5.521 12.749 700 1HB ASN 9 HB2 ASN 9 13.815 5.128 14.914 701 2HB ASN 9 HB1 ASN 9 13.417 3.890 13.728 702 1HD2 ASN 9 HD21 ASN 9 15.015 6.890 14.315 703 2HD2 ASN 9 HD22 ASN 9 15.788 7.019 12.771 704 H GLU 10 HN GLU 10 11.518 5.638 16.249 705 HA GLU 10 HA GLU 10 10.337 3.167 16.749 706 1HB GLU 10 HB2 GLU 10 9.723 5.754 18.194 707 2HB GLU 10 HB1 GLU 10 9.500 4.131 18.823 708 1HG GLU 10 HG2 GLU 10 11.439 4.913 19.851 709 2HG GLU 10 HG1 GLU 10 12.016 3.857 18.563 710 H ARG 11 HN ARG 11 8.874 6.222 15.764 711 HA ARG 11 HA ARG 11 6.196 5.294 16.100 712 1HB ARG 11 HB2 ARG 11 6.868 7.695 16.241 713 2HB ARG 11 HB1 ARG 11 7.158 7.674 14.505 714 1HG ARG 11 HG2 ARG 11 4.884 7.347 14.024 715 2HG ARG 11 HG1 ARG 11 4.508 6.943 15.698 716 1HD ARG 11 HD2 ARG 11 5.300 9.327 16.232 717 2HD ARG 11 HD1 ARG 11 5.135 9.621 14.501 718 HE ARG 11 HE ARG 11 2.778 8.420 15.385 719 1HH1 ARG 11 HH11 ARG 11 4.523 11.425 15.876 720 2HH1 ARG 11 HH12 ARG 11 3.097 12.335 16.270 721 1HH2 ARG 11 HH21 ARG 11 0.919 9.614 15.906 722 2HH2 ARG 11 HH22 ARG 11 1.039 11.313 16.243 723 H VAL 12 HN VAL 12 8.325 5.813 13.318 724 HA VAL 12 HA VAL 12 6.560 5.052 11.286 725 HB VAL 12 HB VAL 12 9.551 4.591 11.380 726 1HG1 VAL 12 HG11 VAL 12 7.668 4.767 9.032 727 2HG1 VAL 12 HG12 VAL 12 8.500 3.320 9.600 728 3HG1 VAL 12 HG13 VAL 12 9.425 4.664 8.928 729 1HG2 VAL 12 HG21 VAL 12 8.997 6.925 11.800 730 2HG2 VAL 12 HG22 VAL 12 7.988 6.960 10.354 731 3HG2 VAL 12 HG23 VAL 12 9.731 6.736 10.208 732 H GLU 13 HN GLU 13 8.754 3.146 13.277 733 HA GLU 13 HA GLU 13 8.405 0.638 12.142 734 1HB GLU 13 HB2 GLU 13 10.100 1.172 13.827 735 2HB GLU 13 HB1 GLU 13 8.845 1.385 15.038 736 1HG GLU 13 HG2 GLU 13 8.244 -0.987 14.785 737 2HG GLU 13 HG1 GLU 13 9.579 -1.179 13.648 738 H LYS 14 HN LYS 14 6.622 2.123 14.844 739 HA LYS 14 HA LYS 14 4.853 0.009 15.292 740 1HB LYS 14 HB2 LYS 14 4.984 1.687 16.960 741 2HB LYS 14 HB1 LYS 14 4.597 2.966 15.813 742 1HG LYS 14 HG2 LYS 14 2.334 2.107 15.588 743 2HG LYS 14 HG1 LYS 14 2.713 0.783 16.689 744 1HD LYS 14 HD2 LYS 14 2.959 2.271 18.524 745 2HD LYS 14 HD1 LYS 14 2.930 3.685 17.466 746 1HE LYS 14 HE2 LYS 14 0.792 3.304 18.675 747 2HE LYS 14 HE1 LYS 14 0.624 3.305 16.921 748 1HZ LYS 14 HZ1 LYS 14 0.856 0.843 18.566 749 2HZ LYS 14 HZ2 LYS 14 0.504 0.929 16.909 750 3HZ LYS 14 HZ3 LYS 14 -0.616 1.503 18.046 751 H ILE 15 HN ILE 15 4.552 2.816 13.135 752 HA ILE 15 HA ILE 15 1.872 2.410 12.417 753 HB ILE 15 HB ILE 15 4.062 3.627 10.725 754 1HG1 ILE 15 HG12 ILE 15 2.060 4.946 12.575 755 2HG1 ILE 15 HG11 ILE 15 3.765 4.700 12.944 756 1HG2 ILE 15 HG21 ILE 15 2.103 3.015 9.405 757 2HG2 ILE 15 HG22 ILE 15 2.241 4.767 9.552 758 3HG2 ILE 15 HG23 ILE 15 1.061 3.892 10.527 759 1HD1 ILE 15 HD11 ILE 15 3.338 6.979 12.230 760 2HD1 ILE 15 HD12 ILE 15 2.669 6.390 10.709 761 3HD1 ILE 15 HD13 ILE 15 4.376 6.145 11.074 762 H ILE 16 HN ILE 16 4.860 1.262 10.864 763 HA ILE 16 HA ILE 16 3.634 -0.130 8.751 764 HB ILE 16 HB ILE 16 6.245 -0.778 10.134 765 1HG1 ILE 16 HG12 ILE 16 5.714 0.893 7.663 766 2HG1 ILE 16 HG11 ILE 16 6.117 1.538 9.251 767 1HG2 ILE 16 HG21 ILE 16 6.838 -1.890 8.023 768 2HG2 ILE 16 HG22 ILE 16 5.213 -1.577 7.413 769 3HG2 ILE 16 HG23 ILE 16 5.445 -2.644 8.797 770 1HD1 ILE 16 HD11 ILE 16 8.286 0.421 9.152 771 2HD1 ILE 16 HD12 ILE 16 8.056 1.524 7.797 772 3HD1 ILE 16 HD13 ILE 16 7.884 -0.215 7.557 773 H GLN 17 HN GLN 17 4.583 -1.170 12.001 774 HA GLN 17 HA GLN 17 3.871 -3.876 11.727 775 1HB GLN 17 HB2 GLN 17 5.303 -3.027 13.530 776 2HB GLN 17 HB1 GLN 17 3.942 -2.148 14.206 777 1HG GLN 17 HG2 GLN 17 4.453 -4.222 15.418 778 2HG GLN 17 HG1 GLN 17 2.820 -4.195 14.757 779 1HE2 GLN 17 HE21 GLN 17 2.253 -5.624 13.173 780 2HE2 GLN 17 HE22 GLN 17 3.258 -6.951 12.694 781 H ASP 18 HN ASP 18 2.057 -1.111 13.034 782 HA ASP 18 HA ASP 18 -0.288 -2.424 13.751 783 1HB ASP 18 HB2 ASP 18 0.467 0.352 13.112 784 2HB ASP 18 HB1 ASP 18 -1.239 -0.015 12.896 785 H LEU 19 HN LEU 19 0.635 -1.057 10.614 786 HA LEU 19 HA LEU 19 -1.779 -1.544 9.272 787 1HB LEU 19 HB2 LEU 19 1.046 -1.478 8.206 788 2HB LEU 19 HB1 LEU 19 -0.388 -1.495 7.199 789 HG LEU 19 HG LEU 19 0.321 0.684 9.165 790 1HD1 LEU 19 HD11 LEU 19 0.763 2.038 7.179 791 2HD1 LEU 19 HD12 LEU 19 0.484 0.627 6.158 792 3HD1 LEU 19 HD13 LEU 19 1.847 0.649 7.276 793 1HD2 LEU 19 HD21 LEU 19 -2.093 0.398 8.850 794 2HD2 LEU 19 HD22 LEU 19 -1.876 0.541 7.106 795 3HD2 LEU 19 HD23 LEU 19 -1.513 1.912 8.155 796 H LEU 20 HN LEU 20 1.099 -3.554 9.691 797 HA LEU 20 HA LEU 20 0.175 -5.724 8.119 798 1HB LEU 20 HB2 LEU 20 2.197 -5.676 10.364 799 2HB LEU 20 HB1 LEU 20 1.943 -7.022 9.272 800 HG LEU 20 HG LEU 20 2.916 -4.278 8.468 801 1HD1 LEU 20 HD11 LEU 20 4.588 -5.505 9.736 802 2HD1 LEU 20 HD12 LEU 20 5.045 -5.415 8.035 803 3HD1 LEU 20 HD13 LEU 20 4.374 -6.909 8.691 804 1HD2 LEU 20 HD21 LEU 20 3.342 -5.345 6.288 805 2HD2 LEU 20 HD22 LEU 20 1.628 -5.297 6.695 806 3HD2 LEU 20 HD23 LEU 20 2.532 -6.802 6.862 807 H ASP 21 HN ASP 21 -0.130 -4.888 11.522 808 HA ASP 21 HA ASP 21 -1.259 -7.318 12.396 809 1HB ASP 21 HB2 ASP 21 -1.401 -4.509 13.463 810 2HB ASP 21 HB1 ASP 21 -2.305 -5.817 14.217 811 H VAL 22 HN VAL 22 -2.772 -4.323 11.202 812 HA VAL 22 HA VAL 22 -5.438 -5.150 11.490 813 HB VAL 22 HB VAL 22 -4.243 -3.268 9.448 814 1HG1 VAL 22 HG11 VAL 22 -6.518 -2.416 9.124 815 2HG1 VAL 22 HG12 VAL 22 -7.141 -3.679 10.186 816 3HG1 VAL 22 HG13 VAL 22 -6.392 -4.111 8.650 817 1HG2 VAL 22 HG21 VAL 22 -3.923 -2.502 11.715 818 2HG2 VAL 22 HG22 VAL 22 -5.625 -2.785 12.085 819 3HG2 VAL 22 HG23 VAL 22 -5.171 -1.524 10.940 820 H LEU 23 HN LEU 23 -3.126 -5.668 8.873 821 HA LEU 23 HA LEU 23 -4.875 -6.751 6.981 822 1HB LEU 23 HB2 LEU 23 -1.954 -7.329 7.462 823 2HB LEU 23 HB1 LEU 23 -2.842 -7.862 6.048 824 HG LEU 23 HG LEU 23 -2.368 -4.985 6.833 825 1HD1 LEU 23 HD11 LEU 23 -1.165 -6.653 4.630 826 2HD1 LEU 23 HD12 LEU 23 -0.333 -6.078 6.073 827 3HD1 LEU 23 HD13 LEU 23 -0.911 -4.925 4.871 828 1HD2 LEU 23 HD21 LEU 23 -3.674 -6.173 4.389 829 2HD2 LEU 23 HD22 LEU 23 -3.315 -4.464 4.636 830 3HD2 LEU 23 HD23 LEU 23 -4.488 -5.279 5.671 831 H VAL 24 HN VAL 24 -2.905 -8.431 9.445 832 HA VAL 24 HA VAL 24 -4.017 -10.985 8.753 833 HB VAL 24 HB VAL 24 -1.740 -10.773 9.683 834 1HG1 VAL 24 HG11 VAL 24 -2.119 -8.997 11.292 835 2HG1 VAL 24 HG12 VAL 24 -1.406 -10.408 12.075 836 3HG1 VAL 24 HG13 VAL 24 -3.127 -10.071 12.262 837 1HG2 VAL 24 HG21 VAL 24 -3.617 -12.452 11.339 838 2HG2 VAL 24 HG22 VAL 24 -1.870 -12.672 11.236 839 3HG2 VAL 24 HG23 VAL 24 -2.875 -12.911 9.806 840 H LYS 25 HN LYS 25 -4.804 -8.437 10.946 841 HA LYS 25 HA LYS 25 -6.586 -9.834 12.636 842 1HB LYS 25 HB2 LYS 25 -5.865 -7.764 13.428 843 2HB LYS 25 HB1 LYS 25 -6.156 -6.961 11.897 844 1HG LYS 25 HG2 LYS 25 -8.600 -7.973 13.088 845 2HG LYS 25 HG1 LYS 25 -7.741 -6.840 14.139 846 1HD LYS 25 HD2 LYS 25 -7.562 -5.305 12.151 847 2HD LYS 25 HD1 LYS 25 -8.666 -6.391 11.306 848 1HE LYS 25 HE2 LYS 25 -10.329 -6.032 13.086 849 2HE LYS 25 HE1 LYS 25 -9.229 -4.889 13.859 850 1HZ LYS 25 HZ1 LYS 25 -9.336 -3.485 11.906 851 2HZ LYS 25 HZ2 LYS 25 -10.902 -3.782 12.488 852 3HZ LYS 25 HZ3 LYS 25 -10.342 -4.607 11.115 853 H GLU 26 HN GLU 26 -7.008 -8.200 9.526 854 HA GLU 26 HA GLU 26 -9.816 -8.921 9.403 855 1HB GLU 26 HB2 GLU 26 -7.957 -7.660 7.385 856 2HB GLU 26 HB1 GLU 26 -9.654 -7.995 7.075 857 1HG GLU 26 HG2 GLU 26 -8.613 -6.192 9.244 858 2HG GLU 26 HG1 GLU 26 -9.231 -5.659 7.683 859 H GLU 27 HN GLU 27 -6.953 -10.505 8.963 860 HA GLU 27 HA GLU 27 -6.326 -12.496 8.072 861 1HB GLU 27 HB2 GLU 27 -9.284 -12.993 7.701 862 2HB GLU 27 HB1 GLU 27 -8.012 -14.202 7.791 863 1HG GLU 27 HG2 GLU 27 -7.579 -13.569 10.117 864 2HG GLU 27 HG1 GLU 27 -8.874 -12.376 10.025 865 H VAL 28 HN VAL 28 -6.279 -10.332 6.354 866 HA VAL 28 HA VAL 28 -7.642 -10.725 3.915 867 HB VAL 28 HB VAL 28 -6.079 -9.133 2.935 868 1HG1 VAL 28 HG11 VAL 28 -6.856 -8.355 5.742 869 2HG1 VAL 28 HG12 VAL 28 -7.915 -8.322 4.331 870 3HG1 VAL 28 HG13 VAL 28 -6.515 -7.254 4.405 871 1HG2 VAL 28 HG21 VAL 28 -4.234 -8.203 4.282 872 2HG2 VAL 28 HG22 VAL 28 -4.002 -9.908 3.904 873 3HG2 VAL 28 HG23 VAL 28 -4.540 -9.429 5.514 874 H THR 29 HN THR 29 -7.042 -11.584 1.979 875 HA THR 29 HA THR 29 -4.761 -13.428 1.933 876 HB THR 29 HB THR 29 -6.996 -14.289 1.232 877 HG1 THR 29 HG1 THR 29 -5.688 -15.519 0.117 878 1HG2 THR 29 HG21 THR 29 -7.981 -13.566 -0.884 879 2HG2 THR 29 HG22 THR 29 -6.738 -12.324 -1.039 880 3HG2 THR 29 HG23 THR 29 -7.908 -12.239 0.277 881 HA PRO 30 HA PRO 30 -1.894 -10.985 -0.437 882 1HB PRO 30 HB2 PRO 30 -2.535 -12.880 -2.673 883 2HB PRO 30 HB1 PRO 30 -0.968 -12.245 -2.156 884 1HG PRO 30 HG2 PRO 30 -1.836 -14.694 -1.435 885 2HG PRO 30 HG1 PRO 30 -0.807 -13.699 -0.391 886 1HD PRO 30 HD2 PRO 30 -3.614 -14.452 -0.045 887 2HD PRO 30 HD1 PRO 30 -2.492 -13.746 1.132 888 H ASP 31 HN ASP 31 -4.595 -12.048 -2.543 889 HA ASP 31 HA ASP 31 -4.520 -9.820 -4.267 890 1HB ASP 31 HB2 ASP 31 -5.685 -11.912 -4.838 891 2HB ASP 31 HB1 ASP 31 -6.867 -11.608 -3.572 892 H LEU 32 HN LEU 32 -6.763 -10.540 -1.622 893 HA LEU 32 HA LEU 32 -8.164 -8.135 -1.612 894 1HB LEU 32 HB2 LEU 32 -8.922 -10.141 -0.464 895 2HB LEU 32 HB1 LEU 32 -7.570 -10.049 0.645 896 HG LEU 32 HG LEU 32 -8.493 -7.934 1.548 897 1HD1 LEU 32 HD11 LEU 32 -10.847 -8.571 -0.224 898 2HD1 LEU 32 HD12 LEU 32 -9.740 -7.212 -0.421 899 3HD1 LEU 32 HD13 LEU 32 -10.783 -7.303 0.999 900 1HD2 LEU 32 HD21 LEU 32 -10.343 -8.978 2.759 901 2HD2 LEU 32 HD22 LEU 32 -8.959 -10.065 2.628 902 3HD2 LEU 32 HD23 LEU 32 -10.365 -10.297 1.589 903 H ALA 33 HN ALA 33 -5.226 -9.083 0.097 904 HA ALA 33 HA ALA 33 -4.942 -6.846 1.748 905 1HB ALA 33 HB1 ALA 33 -3.621 -8.876 2.019 906 2HB ALA 33 HB2 ALA 33 -2.576 -7.463 1.869 907 3HB ALA 33 HB3 ALA 33 -2.790 -8.550 0.498 908 H LEU 34 HN LEU 34 -3.499 -7.482 -1.444 909 HA LEU 34 HA LEU 34 -2.243 -4.973 -1.685 910 1HB LEU 34 HB2 LEU 34 -3.173 -6.877 -3.834 911 2HB LEU 34 HB1 LEU 34 -2.114 -5.506 -4.104 912 HG LEU 34 HG LEU 34 -1.486 -7.932 -2.418 913 1HD1 LEU 34 HD11 LEU 34 -1.464 -8.399 -4.804 914 2HD1 LEU 34 HD12 LEU 34 0.174 -8.405 -4.152 915 3HD1 LEU 34 HD13 LEU 34 -0.400 -7.019 -5.080 916 1HD2 LEU 34 HD21 LEU 34 -0.454 -5.947 -1.486 917 2HD2 LEU 34 HD22 LEU 34 0.190 -5.510 -3.070 918 3HD2 LEU 34 HD23 LEU 34 0.765 -6.965 -2.253 919 H MET 35 HN MET 35 -5.414 -6.133 -2.745 920 HA MET 35 HA MET 35 -6.194 -3.861 -4.193 921 1HB MET 35 HB2 MET 35 -7.416 -5.951 -4.352 922 2HB MET 35 HB1 MET 35 -7.869 -5.852 -2.658 923 1HG MET 35 HG2 MET 35 -9.274 -3.974 -3.063 924 2HG MET 35 HG1 MET 35 -8.693 -3.827 -4.720 925 1HE MET 35 HE1 MET 35 -9.369 -7.289 -3.038 926 2HE MET 35 HE2 MET 35 -11.098 -7.506 -3.316 927 3HE MET 35 HE3 MET 35 -10.533 -6.253 -2.209 928 H CYS 36 HN CYS 36 -6.689 -4.660 -0.749 929 HA CYS 36 HA CYS 36 -8.050 -2.228 -0.183 930 1HB CYS 36 HB2 CYS 36 -6.670 -4.214 1.623 931 2HB CYS 36 HB1 CYS 36 -7.587 -2.832 2.214 932 HG CYS 36 HG CYS 36 -9.986 -3.775 1.815 933 H LEU 37 HN LEU 37 -4.674 -3.261 0.254 934 HA LEU 37 HA LEU 37 -3.765 -0.935 1.529 935 1HB LEU 37 HB2 LEU 37 -2.340 -2.932 -0.218 936 2HB LEU 37 HB1 LEU 37 -1.510 -1.610 0.578 937 HG LEU 37 HG LEU 37 -3.054 -3.777 2.012 938 1HD1 LEU 37 HD11 LEU 37 -0.079 -3.416 1.671 939 2HD1 LEU 37 HD12 LEU 37 -1.061 -4.684 0.936 940 3HD1 LEU 37 HD13 LEU 37 -0.861 -4.625 2.688 941 1HD2 LEU 37 HD21 LEU 37 -2.008 -2.884 4.018 942 2HD2 LEU 37 HD22 LEU 37 -2.979 -1.648 3.219 943 3HD2 LEU 37 HD23 LEU 37 -1.222 -1.624 3.069 944 H GLY 38 HN GLY 38 -3.641 -1.804 -1.928 945 1HA GLY 38 HA2 GLY 38 -2.466 0.626 -2.775 946 2HA GLY 38 HA1 GLY 38 -3.332 -0.510 -3.801 947 H ASN 39 HN ASN 39 -5.802 -0.337 -2.298 948 HA ASN 39 HA ASN 39 -6.990 1.875 -3.618 949 1HB ASN 39 HB2 ASN 39 -8.021 -0.382 -2.823 950 2HB ASN 39 HB1 ASN 39 -8.258 0.454 -1.293 951 1HD2 ASN 39 HD21 ASN 39 -10.113 -0.616 -3.344 952 2HD2 ASN 39 HD22 ASN 39 -11.169 0.702 -3.737 953 H ALA 40 HN ALA 40 -5.981 1.269 -0.287 954 HA ALA 40 HA ALA 40 -6.898 3.713 0.807 955 1HB ALA 40 HB1 ALA 40 -6.313 1.790 2.197 956 2HB ALA 40 HB2 ALA 40 -5.389 3.216 2.667 957 3HB ALA 40 HB3 ALA 40 -4.625 1.947 1.712 958 H VAL 41 HN VAL 41 -3.787 2.691 -0.562 959 HA VAL 41 HA VAL 41 -2.338 5.048 -0.202 960 HB VAL 41 HB VAL 41 -2.179 3.132 -2.542 961 1HG1 VAL 41 HG11 VAL 41 -1.119 5.276 -3.034 962 2HG1 VAL 41 HG12 VAL 41 0.078 3.993 -2.865 963 3HG1 VAL 41 HG13 VAL 41 -0.166 5.151 -1.556 964 1HG2 VAL 41 HG21 VAL 41 -1.836 2.028 -0.395 965 2HG2 VAL 41 HG22 VAL 41 -0.600 3.215 0.027 966 3HG2 VAL 41 HG23 VAL 41 -0.335 2.101 -1.317 967 H THR 42 HN THR 42 -4.407 4.054 -2.899 968 HA THR 42 HA THR 42 -4.092 6.287 -4.528 969 HB THR 42 HB THR 42 -6.582 4.597 -4.203 970 HG1 THR 42 HG1 THR 42 -4.822 3.290 -4.740 971 1HG2 THR 42 HG21 THR 42 -5.644 6.335 -6.493 972 2HG2 THR 42 HG22 THR 42 -7.041 6.629 -5.456 973 3HG2 THR 42 HG23 THR 42 -7.029 5.244 -6.547 974 H ASN 43 HN ASN 43 -6.303 5.743 -1.816 975 HA ASN 43 HA ASN 43 -7.790 8.134 -2.151 976 1HB ASN 43 HB2 ASN 43 -8.381 6.060 -0.744 977 2HB ASN 43 HB1 ASN 43 -7.347 6.758 0.495 978 1HD2 ASN 43 HD21 ASN 43 -8.155 9.528 -0.219 979 2HD2 ASN 43 HD22 ASN 43 -9.752 9.712 0.430 980 H ILE 44 HN ILE 44 -4.888 7.318 -0.309 981 HA ILE 44 HA ILE 44 -4.634 9.792 1.040 982 HB ILE 44 HB ILE 44 -2.508 7.773 0.297 983 1HG1 ILE 44 HG12 ILE 44 -4.213 6.849 1.759 984 2HG1 ILE 44 HG11 ILE 44 -2.724 7.085 2.665 985 1HG2 ILE 44 HG21 ILE 44 -1.108 8.835 1.989 986 2HG2 ILE 44 HG22 ILE 44 -2.350 10.056 2.262 987 3HG2 ILE 44 HG23 ILE 44 -1.521 9.973 0.707 988 1HD1 ILE 44 HD11 ILE 44 -5.117 8.907 2.721 989 2HD1 ILE 44 HD12 ILE 44 -3.633 9.112 3.651 990 3HD1 ILE 44 HD13 ILE 44 -4.683 7.728 3.958 991 H ILE 45 HN ILE 45 -3.151 8.563 -1.952 992 HA ILE 45 HA ILE 45 -1.689 10.909 -2.540 993 HB ILE 45 HB ILE 45 -2.680 8.780 -4.447 994 1HG1 ILE 45 HG12 ILE 45 -0.050 9.049 -2.970 995 2HG1 ILE 45 HG11 ILE 45 -1.307 7.865 -2.629 996 1HG2 ILE 45 HG21 ILE 45 -0.814 9.514 -5.878 997 2HG2 ILE 45 HG22 ILE 45 -0.494 10.837 -4.753 998 3HG2 ILE 45 HG23 ILE 45 -2.018 10.780 -5.638 999 1HD1 ILE 45 HD11 ILE 45 0.281 8.056 -5.178 1000 2HD1 ILE 45 HD12 ILE 45 -0.959 6.854 -4.817 1001 3HD1 ILE 45 HD13 ILE 45 0.536 6.889 -3.880 1002 H ALA 46 HN ALA 46 -5.013 10.020 -3.046 1003 HA ALA 46 HA ALA 46 -5.593 11.965 -5.054 1004 1HB ALA 46 HB1 ALA 46 -7.474 10.591 -3.140 1005 2HB ALA 46 HB2 ALA 46 -6.962 9.958 -4.705 1006 3HB ALA 46 HB3 ALA 46 -7.920 11.436 -4.622 1007 H GLN 47 HN GLN 47 -4.965 12.219 -1.748 1008 HA GLN 47 HA GLN 47 -6.522 14.668 -1.419 1009 1HB GLN 47 HB2 GLN 47 -4.656 13.310 0.538 1010 2HB GLN 47 HB1 GLN 47 -5.781 14.614 0.898 1011 1HG GLN 47 HG2 GLN 47 -7.658 13.152 0.391 1012 2HG GLN 47 HG1 GLN 47 -6.542 11.846 -0.005 1013 1HE2 GLN 47 HE21 GLN 47 -7.300 10.481 1.567 1014 2HE2 GLN 47 HE22 GLN 47 -7.042 10.753 3.253 1015 H VAL 48 HN VAL 48 -3.549 13.701 -2.559 1016 HA VAL 48 HA VAL 48 -2.044 16.038 -1.719 1017 HB VAL 48 HB VAL 48 -1.304 13.833 -3.661 1018 1HG1 VAL 48 HG11 VAL 48 0.445 15.851 -2.263 1019 2HG1 VAL 48 HG12 VAL 48 0.015 15.864 -3.974 1020 3HG1 VAL 48 HG13 VAL 48 0.996 14.552 -3.320 1021 1HG2 VAL 48 HG21 VAL 48 -0.662 14.122 -0.728 1022 2HG2 VAL 48 HG22 VAL 48 0.002 12.891 -1.805 1023 3HG2 VAL 48 HG23 VAL 48 -1.727 12.918 -1.456 1024 HA PRO 49 HA PRO 49 -3.287 18.731 -5.079 1025 1HB PRO 49 HB2 PRO 49 -0.365 19.369 -5.030 1026 2HB PRO 49 HB1 PRO 49 -1.754 20.462 -5.067 1027 1HG PRO 49 HG2 PRO 49 -0.411 20.034 -2.805 1028 2HG PRO 49 HG1 PRO 49 -2.175 20.215 -2.803 1029 1HD PRO 49 HD2 PRO 49 -0.520 17.772 -2.452 1030 2HD PRO 49 HD1 PRO 49 -2.122 18.157 -1.792 1031 H GLU 50 HN GLU 50 -3.428 18.427 -7.217 1032 HA GLU 50 HA GLU 50 -2.523 16.088 -8.398 1033 1HB GLU 50 HB2 GLU 50 -3.555 18.638 -9.613 1034 2HB GLU 50 HB1 GLU 50 -3.200 17.211 -10.579 1035 1HG GLU 50 HG2 GLU 50 -4.805 15.925 -9.297 1036 2HG GLU 50 HG1 GLU 50 -5.136 17.328 -8.284 1037 H SER 51 HN SER 51 -1.022 19.256 -8.428 1038 HA SER 51 HA SER 51 0.828 19.023 -10.438 1039 1HB SER 51 HB2 SER 51 0.547 21.033 -9.048 1040 2HB SER 51 HB1 SER 51 1.289 20.199 -7.685 1041 HG SER 51 HG SER 51 2.815 21.480 -8.728 1042 H LYS 52 HN LYS 52 1.261 17.896 -7.077 1043 HA LYS 52 HA LYS 52 3.612 16.390 -7.972 1044 1HB LYS 52 HB2 LYS 52 4.079 16.148 -5.507 1045 2HB LYS 52 HB1 LYS 52 4.163 17.787 -6.133 1046 1HG LYS 52 HG2 LYS 52 2.004 18.307 -5.199 1047 2HG LYS 52 HG1 LYS 52 1.791 16.633 -4.680 1048 1HD LYS 52 HD2 LYS 52 4.037 18.408 -3.728 1049 2HD LYS 52 HD1 LYS 52 2.503 18.229 -2.874 1050 1HE LYS 52 HE2 LYS 52 2.913 15.812 -2.686 1051 2HE LYS 52 HE1 LYS 52 4.458 16.019 -3.507 1052 1HZ LYS 52 HZ1 LYS 52 3.814 17.468 -1.007 1053 2HZ LYS 52 HZ2 LYS 52 5.338 17.193 -1.701 1054 3HZ LYS 52 HZ3 LYS 52 4.488 15.913 -0.988 1055 H ARG 53 HN ARG 53 0.425 15.855 -7.695 1056 HA ARG 53 HA ARG 53 0.239 13.484 -6.175 1057 1HB ARG 53 HB2 ARG 53 -1.715 14.838 -6.869 1058 2HB ARG 53 HB1 ARG 53 -1.447 14.349 -8.536 1059 1HG ARG 53 HG2 ARG 53 -1.887 12.030 -7.941 1060 2HG ARG 53 HG1 ARG 53 -2.119 12.500 -6.257 1061 1HD ARG 53 HD2 ARG 53 -3.783 13.433 -8.596 1062 2HD ARG 53 HD1 ARG 53 -4.253 12.203 -7.423 1063 HE ARG 53 HE ARG 53 -3.649 14.432 -5.934 1064 1HH1 ARG 53 HH11 ARG 53 -5.948 13.629 -8.465 1065 2HH1 ARG 53 HH12 ARG 53 -7.085 14.849 -7.969 1066 1HH2 ARG 53 HH21 ARG 53 -5.162 16.005 -5.286 1067 2HH2 ARG 53 HH22 ARG 53 -6.640 16.201 -6.180 1068 H VAL 54 HN VAL 54 0.836 14.048 -9.620 1069 HA VAL 54 HA VAL 54 1.001 11.293 -10.312 1070 HB VAL 54 HB VAL 54 2.206 13.663 -11.757 1071 1HG1 VAL 54 HG11 VAL 54 3.116 11.524 -12.507 1072 2HG1 VAL 54 HG12 VAL 54 2.089 12.246 -13.746 1073 3HG1 VAL 54 HG13 VAL 54 1.482 10.913 -12.764 1074 1HG2 VAL 54 HG21 VAL 54 -0.181 13.979 -11.412 1075 2HG2 VAL 54 HG22 VAL 54 -0.503 12.378 -12.078 1076 3HG2 VAL 54 HG23 VAL 54 0.162 13.643 -13.110 1077 H ALA 55 HN ALA 55 3.236 13.641 -9.063 1078 HA ALA 55 HA ALA 55 5.620 12.215 -9.665 1079 1HB ALA 55 HB1 ALA 55 5.187 14.303 -7.533 1080 2HB ALA 55 HB2 ALA 55 5.563 14.645 -9.223 1081 3HB ALA 55 HB3 ALA 55 6.731 13.791 -8.213 1082 H VAL 56 HN VAL 56 3.660 12.538 -6.698 1083 HA VAL 56 HA VAL 56 5.356 10.887 -5.145 1084 HB VAL 56 HB VAL 56 3.497 10.776 -3.512 1085 1HG1 VAL 56 HG11 VAL 56 4.041 13.535 -4.596 1086 2HG1 VAL 56 HG12 VAL 56 5.073 12.641 -3.479 1087 3HG1 VAL 56 HG13 VAL 56 3.462 13.153 -2.975 1088 1HG2 VAL 56 HG21 VAL 56 1.616 10.733 -5.055 1089 2HG2 VAL 56 HG22 VAL 56 1.979 12.385 -5.559 1090 3HG2 VAL 56 HG23 VAL 56 1.456 12.061 -3.904 1091 H VAL 57 HN VAL 57 2.548 10.158 -7.167 1092 HA VAL 57 HA VAL 57 2.310 7.476 -6.216 1093 HB VAL 57 HB VAL 57 0.419 8.654 -7.296 1094 1HG1 VAL 57 HG11 VAL 57 2.002 8.285 -9.829 1095 2HG1 VAL 57 HG12 VAL 57 1.590 9.818 -9.061 1096 3HG1 VAL 57 HG13 VAL 57 0.319 8.802 -9.742 1097 1HG2 VAL 57 HG21 VAL 57 -0.389 6.755 -8.603 1098 2HG2 VAL 57 HG22 VAL 57 0.411 6.227 -7.122 1099 3HG2 VAL 57 HG23 VAL 57 1.248 6.104 -8.670 1100 H ASP 58 HN ASP 58 4.135 9.040 -8.772 1101 HA ASP 58 HA ASP 58 4.955 6.642 -10.072 1102 1HB ASP 58 HB2 ASP 58 5.125 9.223 -10.771 1103 2HB ASP 58 HB1 ASP 58 6.742 9.019 -10.101 1104 H ASN 59 HN ASN 59 6.388 8.720 -7.590 1105 HA ASN 59 HA ASN 59 8.751 7.246 -7.200 1106 1HB ASN 59 HB2 ASN 59 7.207 9.182 -5.512 1107 2HB ASN 59 HB1 ASN 59 8.556 8.299 -4.807 1108 1HD2 ASN 59 HD21 ASN 59 7.602 10.700 -7.141 1109 2HD2 ASN 59 HD22 ASN 59 9.186 11.348 -7.403 1110 H PHE 60 HN PHE 60 5.560 7.005 -5.692 1111 HA PHE 60 HA PHE 60 6.111 5.078 -3.753 1112 1HB PHE 60 HB2 PHE 60 3.977 6.303 -3.901 1113 2HB PHE 60 HB1 PHE 60 3.595 5.451 -5.395 1114 HD1 PHE 60 HD1 PHE 60 4.429 4.753 -1.825 1115 HD2 PHE 60 HD2 PHE 60 2.284 3.597 -5.315 1116 HE1 PHE 60 HE1 PHE 60 3.316 2.965 -0.548 1117 HE2 PHE 60 HE2 PHE 60 1.169 1.812 -4.048 1118 HZ PHE 60 HZ PHE 60 1.680 1.496 -1.666 1119 H THR 61 HN THR 61 4.954 4.662 -7.064 1120 HA THR 61 HA THR 61 4.888 1.839 -6.937 1121 HB THR 61 HB THR 61 4.705 2.044 -9.474 1122 HG1 THR 61 HG1 THR 61 4.320 4.808 -8.951 1123 1HG2 THR 61 HG21 THR 61 2.425 2.966 -9.334 1124 2HG2 THR 61 HG22 THR 61 2.777 3.574 -7.718 1125 3HG2 THR 61 HG23 THR 61 2.757 1.832 -8.024 1126 H LYS 62 HN LYS 62 7.299 4.165 -8.043 1127 HA LYS 62 HA LYS 62 9.089 2.284 -9.165 1128 1HB LYS 62 HB2 LYS 62 9.238 4.710 -9.581 1129 2HB LYS 62 HB1 LYS 62 9.690 4.966 -7.903 1130 1HG LYS 62 HG2 LYS 62 11.742 3.736 -8.230 1131 2HG LYS 62 HG1 LYS 62 11.280 3.359 -9.893 1132 1HD LYS 62 HD2 LYS 62 11.272 5.764 -10.412 1133 2HD LYS 62 HD1 LYS 62 11.776 6.111 -8.756 1134 1HE LYS 62 HE2 LYS 62 13.847 4.921 -9.100 1135 2HE LYS 62 HE1 LYS 62 13.331 4.418 -10.709 1136 1HZ LYS 62 HZ1 LYS 62 13.322 6.735 -11.393 1137 2HZ LYS 62 HZ2 LYS 62 14.850 6.288 -10.806 1138 3HZ LYS 62 HZ3 LYS 62 13.814 7.220 -9.842 1139 H ALA 63 HN ALA 63 8.821 3.693 -5.917 1140 HA ALA 63 HA ALA 63 11.058 2.428 -4.779 1141 1HB ALA 63 HB1 ALA 63 8.508 3.325 -3.437 1142 2HB ALA 63 HB2 ALA 63 9.945 4.313 -3.712 1143 3HB ALA 63 HB3 ALA 63 10.019 2.934 -2.616 1144 H LEU 64 HN LEU 64 7.665 1.431 -4.983 1145 HA LEU 64 HA LEU 64 7.759 -0.903 -3.498 1146 1HB LEU 64 HB2 LEU 64 6.165 -0.057 -5.880 1147 2HB LEU 64 HB1 LEU 64 6.018 -1.696 -5.278 1148 HG LEU 64 HG LEU 64 5.508 0.769 -3.615 1149 1HD1 LEU 64 HD11 LEU 64 3.568 -1.099 -4.973 1150 2HD1 LEU 64 HD12 LEU 64 3.877 0.580 -5.414 1151 3HD1 LEU 64 HD13 LEU 64 3.143 0.198 -3.856 1152 1HD2 LEU 64 HD21 LEU 64 6.175 -1.123 -2.282 1153 2HD2 LEU 64 HD22 LEU 64 5.037 -2.172 -3.131 1154 3HD2 LEU 64 HD23 LEU 64 4.438 -0.870 -2.098 1155 H LYS 65 HN LYS 65 8.186 -0.652 -7.037 1156 HA LYS 65 HA LYS 65 8.893 -3.355 -7.367 1157 1HB LYS 65 HB2 LYS 65 9.546 -0.986 -9.130 1158 2HB LYS 65 HB1 LYS 65 9.701 -2.674 -9.602 1159 1HG LYS 65 HG2 LYS 65 7.253 -2.937 -9.174 1160 2HG LYS 65 HG1 LYS 65 7.166 -1.197 -8.922 1161 1HD LYS 65 HD2 LYS 65 8.113 -2.535 -11.457 1162 2HD LYS 65 HD1 LYS 65 6.491 -1.896 -11.202 1163 1HE LYS 65 HE2 LYS 65 7.570 -0.196 -12.368 1164 2HE LYS 65 HE1 LYS 65 7.672 0.328 -10.689 1165 1HZ LYS 65 HZ1 LYS 65 9.929 -0.505 -10.595 1166 2HZ LYS 65 HZ2 LYS 65 9.778 0.611 -11.858 1167 3HZ LYS 65 HZ3 LYS 65 9.834 -1.053 -12.193 1168 H GLN 66 HN GLN 66 10.770 -0.531 -6.545 1169 HA GLN 66 HA GLN 66 13.334 -1.675 -6.922 1170 1HB GLN 66 HB2 GLN 66 13.192 0.693 -6.739 1171 2HB GLN 66 HB1 GLN 66 12.339 0.599 -5.207 1172 1HG GLN 66 HG2 GLN 66 14.657 1.326 -4.947 1173 2HG GLN 66 HG1 GLN 66 14.331 -0.179 -4.094 1174 1HE2 GLN 66 HE21 GLN 66 14.810 0.018 -7.564 1175 2HE2 GLN 66 HE22 GLN 66 16.328 -0.816 -7.582 1176 H SER 67 HN SER 67 11.243 -1.413 -4.031 1177 HA SER 67 HA SER 67 13.061 -2.739 -2.317 1178 1HB SER 67 HB2 SER 67 11.118 -2.974 -0.783 1179 2HB SER 67 HB1 SER 67 11.318 -1.332 -1.391 1180 HG SER 67 HG SER 67 9.739 -2.324 -3.113 1181 H VAL 68 HN VAL 68 10.514 -3.923 -4.437 1182 HA VAL 68 HA VAL 68 10.482 -6.593 -3.525 1183 HB VAL 68 HB VAL 68 9.929 -5.518 -6.300 1184 1HG1 VAL 68 HG11 VAL 68 10.455 -7.899 -6.379 1185 2HG1 VAL 68 HG12 VAL 68 8.741 -7.624 -6.690 1186 3HG1 VAL 68 HG13 VAL 68 9.270 -8.215 -5.114 1187 1HG2 VAL 68 HG21 VAL 68 8.066 -6.250 -4.044 1188 2HG2 VAL 68 HG22 VAL 68 7.578 -5.708 -5.651 1189 3HG2 VAL 68 HG23 VAL 68 8.452 -4.616 -4.578 1190 H LEU 69 HN LEU 69 12.421 -4.954 -5.994 1191 HA LEU 69 HA LEU 69 13.891 -7.281 -6.728 1192 1HB LEU 69 HB2 LEU 69 14.484 -4.352 -7.136 1193 2HB LEU 69 HB1 LEU 69 15.417 -5.657 -7.845 1194 HG LEU 69 HG LEU 69 12.519 -5.021 -8.402 1195 1HD1 LEU 69 HD11 LEU 69 14.985 -4.813 -10.123 1196 2HD1 LEU 69 HD12 LEU 69 14.076 -3.466 -9.438 1197 3HD1 LEU 69 HD13 LEU 69 13.329 -4.507 -10.650 1198 1HD2 LEU 69 HD21 LEU 69 12.615 -6.811 -10.046 1199 2HD2 LEU 69 HD22 LEU 69 12.939 -7.436 -8.429 1200 3HD2 LEU 69 HD23 LEU 69 14.269 -7.189 -9.562 1201 H GLU 70 HN GLU 70 14.552 -4.527 -4.596 1202 HA GLU 70 HA GLU 70 16.916 -5.975 -3.625 1203 1HB GLU 70 HB2 GLU 70 16.401 -3.099 -4.122 1204 2HB GLU 70 HB1 GLU 70 17.387 -3.502 -2.723 1205 1HG GLU 70 HG2 GLU 70 17.929 -4.384 -5.551 1206 2HG GLU 70 HG1 GLU 70 18.743 -3.061 -4.710 1207 H HIS 71 HN HIS 71 15.768 -7.190 -2.109 1208 HA HIS 71 HA HIS 71 15.683 -5.705 0.385 1209 1HB HIS 71 HB2 HIS 71 13.645 -6.736 1.202 1210 2HB HIS 71 HB1 HIS 71 13.304 -5.865 -0.284 1211 HD1 HIS 71 HD1 HIS 71 12.792 -7.339 -2.414 1212 HD2 HIS 71 HD2 HIS 71 13.090 -9.435 1.165 1213 HE1 HIS 71 HE1 HIS 71 11.773 -9.594 -2.863 1214 HE2 HIS 71 HE2 HIS 71 12.098 -10.900 -0.729 1215 H HIS 72 HN HIS 72 15.824 -8.737 -1.354 1216 HA HIS 72 HA HIS 72 16.826 -10.736 -0.930 1217 1HB HIS 72 HB2 HIS 72 18.640 -8.944 0.711 1218 2HB HIS 72 HB1 HIS 72 19.008 -10.611 0.287 1219 HD1 HIS 72 HD1 HIS 72 20.864 -10.446 -1.353 1220 HD2 HIS 72 HD2 HIS 72 17.842 -7.704 -2.144 1221 HE1 HIS 72 HE1 HIS 72 21.537 -9.284 -3.485 1222 HE2 HIS 72 HE2 HIS 72 19.812 -7.465 -3.799 1223 H HIS 73 HN HIS 73 18.179 -11.640 1.418 1224 HA HIS 73 HA HIS 73 16.157 -11.290 3.522 1225 1HB HIS 73 HB2 HIS 73 16.287 -13.641 2.489 1226 2HB HIS 73 HB1 HIS 73 17.869 -13.762 3.255 1227 HD1 HIS 73 HD1 HIS 73 17.668 -15.116 5.316 1228 HD2 HIS 73 HD2 HIS 73 14.349 -12.674 4.738 1229 HE1 HIS 73 HE1 HIS 73 16.182 -15.507 7.301 1230 HE2 HIS 73 HE2 HIS 73 14.087 -14.204 6.810 1231 H HIS 74 HN HIS 74 17.120 -9.734 4.684 1232 HA HIS 74 HA HIS 74 19.997 -9.627 4.846 1233 1HB HIS 74 HB2 HIS 74 19.525 -7.528 6.242 1234 2HB HIS 74 HB1 HIS 74 19.102 -7.503 4.540 1235 HD1 HIS 74 HD1 HIS 74 17.613 -7.338 7.961 1236 HD2 HIS 74 HD2 HIS 74 16.354 -7.338 3.994 1237 HE1 HIS 74 HE1 HIS 74 15.211 -6.586 8.004 1238 HE2 HIS 74 HE2 HIS 74 14.574 -6.337 5.577 1239 H HIS 75 HN HIS 75 19.486 -11.852 5.962 1240 HA HIS 75 HA HIS 75 21.030 -11.844 8.199 1241 1HB HIS 75 HB2 HIS 75 18.929 -10.754 9.262 1242 2HB HIS 75 HB1 HIS 75 18.217 -12.362 9.156 1243 HD1 HIS 75 HD1 HIS 75 18.778 -13.967 11.009 1244 HD2 HIS 75 HD2 HIS 75 21.322 -10.675 10.920 1245 HE1 HIS 75 HE1 HIS 75 20.207 -14.154 13.072 1246 HE2 HIS 75 HE2 HIS 75 21.876 -12.270 12.878 1247 H HIS 76 HN HIS 76 21.900 -13.656 7.310 1248 HA HIS 76 HA HIS 76 20.098 -15.958 6.987 1249 1HB HIS 76 HB2 HIS 76 21.846 -16.851 5.378 1250 2HB HIS 76 HB1 HIS 76 20.914 -15.472 4.823 1251 HD1 HIS 76 HD1 HIS 76 22.223 -13.540 3.948 1252 HD2 HIS 76 HD2 HIS 76 24.561 -16.146 6.189 1253 HE1 HIS 76 HE1 HIS 76 24.585 -12.714 3.701 1254 HE2 HIS 76 HE2 HIS 76 25.999 -14.425 4.902 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -15.540 -14.505 -12.688 2 2H MET 1 HT2 MET 1 -15.982 -13.513 -13.995 3 3H MET 1 HT3 MET 1 -16.440 -15.144 -13.977 4 HA MET 1 HA MET 1 -18.296 -13.715 -13.438 5 1HB MET 1 HB2 MET 1 -17.227 -15.433 -11.191 6 2HB MET 1 HB1 MET 1 -18.843 -14.742 -11.185 7 1HG MET 1 HG2 MET 1 -18.977 -17.011 -11.908 8 2HG MET 1 HG1 MET 1 -19.323 -15.963 -13.280 9 1HE MET 1 HE1 MET 1 -17.552 -19.034 -14.942 10 2HE MET 1 HE2 MET 1 -18.982 -18.002 -14.946 11 3HE MET 1 HE3 MET 1 -18.656 -19.053 -13.567 12 HA PRO 2 HA PRO 2 -17.382 -10.063 -11.087 13 1HB PRO 2 HB2 PRO 2 -20.234 -9.728 -10.602 14 2HB PRO 2 HB1 PRO 2 -19.167 -8.788 -11.649 15 1HG PRO 2 HG2 PRO 2 -21.115 -10.416 -12.613 16 2HG PRO 2 HG1 PRO 2 -19.609 -10.090 -13.489 17 1HD PRO 2 HD2 PRO 2 -20.359 -12.471 -11.829 18 2HD PRO 2 HD1 PRO 2 -19.514 -12.408 -13.391 19 H ILE 3 HN ILE 3 -16.822 -12.103 -9.527 20 HA ILE 3 HA ILE 3 -18.194 -11.499 -6.988 21 HB ILE 3 HB ILE 3 -17.072 -14.192 -7.813 22 1HG1 ILE 3 HG12 ILE 3 -19.946 -13.320 -7.411 23 2HG1 ILE 3 HG11 ILE 3 -19.187 -13.646 -8.965 24 1HG2 ILE 3 HG21 ILE 3 -18.498 -13.329 -5.299 25 2HG2 ILE 3 HG22 ILE 3 -16.805 -13.798 -5.437 26 3HG2 ILE 3 HG23 ILE 3 -18.076 -14.991 -5.707 27 1HD1 ILE 3 HD11 ILE 3 -20.575 -15.502 -8.242 28 2HD1 ILE 3 HD12 ILE 3 -19.624 -15.653 -6.765 29 3HD1 ILE 3 HD13 ILE 3 -18.879 -15.977 -8.331 30 H VAL 4 HN VAL 4 -16.830 -11.177 -5.221 31 HA VAL 4 HA VAL 4 -14.092 -10.577 -5.964 32 HB VAL 4 HB VAL 4 -15.326 -10.156 -3.241 33 1HG1 VAL 4 HG11 VAL 4 -13.072 -8.785 -4.709 34 2HG1 VAL 4 HG12 VAL 4 -12.915 -9.897 -3.348 35 3HG1 VAL 4 HG13 VAL 4 -13.684 -8.325 -3.119 36 1HG2 VAL 4 HG21 VAL 4 -16.802 -9.131 -4.890 37 2HG2 VAL 4 HG22 VAL 4 -15.429 -8.302 -5.622 38 3HG2 VAL 4 HG23 VAL 4 -15.931 -7.894 -3.982 39 H SER 5 HN SER 5 -14.040 -13.068 -6.245 40 HA SER 5 HA SER 5 -13.158 -15.065 -5.677 41 1HB SER 5 HB2 SER 5 -11.498 -13.338 -3.836 42 2HB SER 5 HB1 SER 5 -11.087 -14.970 -4.364 43 HG SER 5 HG SER 5 -10.909 -12.564 -5.717 44 H LYS 6 HN LYS 6 -12.556 -13.891 -2.418 45 HA LYS 6 HA LYS 6 -14.469 -15.883 -1.401 46 1HB LYS 6 HB2 LYS 6 -11.599 -15.466 -0.561 47 2HB LYS 6 HB1 LYS 6 -12.752 -16.416 0.362 48 1HG LYS 6 HG2 LYS 6 -12.961 -18.000 -1.430 49 2HG LYS 6 HG1 LYS 6 -11.954 -17.000 -2.480 50 1HD LYS 6 HD2 LYS 6 -10.023 -17.413 -1.194 51 2HD LYS 6 HD1 LYS 6 -10.962 -18.060 0.152 52 1HE LYS 6 HE2 LYS 6 -9.845 -19.846 -1.069 53 2HE LYS 6 HE1 LYS 6 -11.596 -19.985 -1.203 54 1HZ LYS 6 HZ1 LYS 6 -11.477 -19.007 -3.410 55 2HZ LYS 6 HZ2 LYS 6 -10.501 -20.390 -3.312 56 3HZ LYS 6 HZ3 LYS 6 -9.793 -18.856 -3.278 57 H TYR 7 HN TYR 7 -14.015 -12.740 -1.538 58 HA TYR 7 HA TYR 7 -14.495 -12.287 1.335 59 1HB TYR 7 HB2 TYR 7 -13.388 -9.964 -0.012 60 2HB TYR 7 HB1 TYR 7 -12.842 -10.769 1.454 61 HD1 TYR 7 HD1 TYR 7 -11.238 -12.703 1.266 62 HD2 TYR 7 HD2 TYR 7 -12.289 -10.288 -2.076 63 HE1 TYR 7 HE1 TYR 7 -9.277 -13.546 0.040 64 HE2 TYR 7 HE2 TYR 7 -10.338 -11.123 -3.305 65 HH TYR 7 HH TYR 7 -8.324 -12.187 -3.055 66 H SER 8 HN SER 8 -16.100 -10.887 1.887 67 HA SER 8 HA SER 8 -17.966 -10.125 -0.183 68 1HB SER 8 HB2 SER 8 -19.269 -9.249 1.827 69 2HB SER 8 HB1 SER 8 -18.944 -10.982 1.818 70 HG SER 8 HG SER 8 -18.494 -9.625 3.822 71 H ASN 9 HN ASN 9 -18.648 -7.962 -0.594 72 HA ASN 9 HA ASN 9 -16.587 -6.056 -0.736 73 1HB ASN 9 HB2 ASN 9 -19.585 -5.643 -0.903 74 2HB ASN 9 HB1 ASN 9 -18.386 -4.421 -1.308 75 1HD2 ASN 9 HD21 ASN 9 -19.016 -4.241 -3.419 76 2HD2 ASN 9 HD22 ASN 9 -18.770 -5.497 -4.589 77 H GLU 10 HN GLU 10 -19.239 -6.503 1.522 78 HA GLU 10 HA GLU 10 -19.007 -4.347 3.189 79 1HB GLU 10 HB2 GLU 10 -20.714 -5.981 3.550 80 2HB GLU 10 HB1 GLU 10 -19.534 -7.254 3.805 81 1HG GLU 10 HG2 GLU 10 -19.603 -4.932 5.676 82 2HG GLU 10 HG1 GLU 10 -20.823 -6.197 5.812 83 H ARG 11 HN ARG 11 -17.040 -7.321 3.298 84 HA ARG 11 HA ARG 11 -15.540 -6.395 5.544 85 1HB ARG 11 HB2 ARG 11 -15.926 -8.828 4.947 86 2HB ARG 11 HB1 ARG 11 -14.727 -8.620 3.674 87 1HG ARG 11 HG2 ARG 11 -13.033 -8.064 5.297 88 2HG ARG 11 HG1 ARG 11 -14.220 -8.116 6.601 89 1HD ARG 11 HD2 ARG 11 -14.612 -10.528 5.987 90 2HD ARG 11 HD1 ARG 11 -13.206 -10.404 4.927 91 HE ARG 11 HE ARG 11 -12.648 -9.536 7.597 92 1HH1 ARG 11 HH11 ARG 11 -12.845 -12.352 5.514 93 2HH1 ARG 11 HH12 ARG 11 -11.877 -13.343 6.567 94 1HH2 ARG 11 HH21 ARG 11 -11.426 -10.832 8.985 95 2HH2 ARG 11 HH22 ARG 11 -11.098 -12.490 8.570 96 H VAL 12 HN VAL 12 -14.966 -6.549 2.051 97 HA VAL 12 HA VAL 12 -12.294 -5.730 2.025 98 HB VAL 12 HB VAL 12 -14.439 -5.080 -0.009 99 1HG1 VAL 12 HG11 VAL 12 -11.435 -5.040 -0.274 100 2HG1 VAL 12 HG12 VAL 12 -12.502 -3.637 -0.281 101 3HG1 VAL 12 HG13 VAL 12 -12.583 -4.813 -1.593 102 1HG2 VAL 12 HG21 VAL 12 -12.466 -7.360 0.095 103 2HG2 VAL 12 HG22 VAL 12 -13.585 -7.026 -1.225 104 3HG2 VAL 12 HG23 VAL 12 -14.205 -7.479 0.362 105 H GLU 13 HN GLU 13 -15.248 -3.761 1.821 106 HA GLU 13 HA GLU 13 -13.958 -1.259 1.782 107 1HB GLU 13 HB2 GLU 13 -16.728 -2.059 2.682 108 2HB GLU 13 HB1 GLU 13 -16.194 -0.391 2.525 109 1HG GLU 13 HG2 GLU 13 -15.874 -0.644 0.168 110 2HG GLU 13 HG1 GLU 13 -16.191 -2.377 0.266 111 H LYS 14 HN LYS 14 -15.123 -3.281 4.426 112 HA LYS 14 HA LYS 14 -14.710 -1.426 6.500 113 1HB LYS 14 HB2 LYS 14 -16.067 -3.401 6.865 114 2HB LYS 14 HB1 LYS 14 -14.685 -4.447 6.558 115 1HG LYS 14 HG2 LYS 14 -13.565 -3.454 8.540 116 2HG LYS 14 HG1 LYS 14 -15.053 -2.568 8.876 117 1HD LYS 14 HD2 LYS 14 -16.259 -4.557 9.292 118 2HD LYS 14 HD1 LYS 14 -14.983 -5.563 8.599 119 1HE LYS 14 HE2 LYS 14 -14.816 -3.947 11.140 120 2HE LYS 14 HE1 LYS 14 -14.942 -5.703 11.021 121 1HZ LYS 14 HZ1 LYS 14 -12.668 -5.163 11.375 122 2HZ LYS 14 HZ2 LYS 14 -12.670 -3.992 10.149 123 3HZ LYS 14 HZ3 LYS 14 -12.809 -5.638 9.750 124 H ILE 15 HN ILE 15 -12.583 -3.875 5.065 125 HA ILE 15 HA ILE 15 -10.431 -3.591 6.851 126 HB ILE 15 HB ILE 15 -10.383 -4.333 3.918 127 1HG1 ILE 15 HG12 ILE 15 -10.292 -6.066 6.398 128 2HG1 ILE 15 HG11 ILE 15 -11.717 -5.824 5.393 129 1HG2 ILE 15 HG21 ILE 15 -8.241 -4.679 6.015 130 2HG2 ILE 15 HG22 ILE 15 -8.190 -3.556 4.656 131 3HG2 ILE 15 HG23 ILE 15 -8.179 -5.295 4.362 132 1HD1 ILE 15 HD11 ILE 15 -10.608 -7.942 4.927 133 2HD1 ILE 15 HD12 ILE 15 -9.135 -7.073 4.488 134 3HD1 ILE 15 HD13 ILE 15 -10.597 -6.877 3.520 135 H ILE 16 HN ILE 16 -11.218 -1.878 3.853 136 HA ILE 16 HA ILE 16 -8.960 -0.205 3.778 137 HB ILE 16 HB ILE 16 -11.759 0.394 2.797 138 1HG1 ILE 16 HG12 ILE 16 -9.371 -0.752 1.327 139 2HG1 ILE 16 HG11 ILE 16 -10.772 -1.676 1.857 140 1HG2 ILE 16 HG21 ILE 16 -9.116 1.657 2.066 141 2HG2 ILE 16 HG22 ILE 16 -10.420 2.417 2.980 142 3HG2 ILE 16 HG23 ILE 16 -10.663 1.992 1.285 143 1HD1 ILE 16 HD11 ILE 16 -10.770 0.545 -0.174 144 2HD1 ILE 16 HD12 ILE 16 -12.195 -0.332 0.380 145 3HD1 ILE 16 HD13 ILE 16 -10.925 -1.181 -0.500 146 H GLN 17 HN GLN 17 -12.117 0.154 5.342 147 HA GLN 17 HA GLN 17 -11.723 2.724 6.418 148 1HB GLN 17 HB2 GLN 17 -13.911 1.586 6.291 149 2HB GLN 17 HB1 GLN 17 -13.382 0.441 7.513 150 1HG GLN 17 HG2 GLN 17 -14.850 2.187 8.416 151 2HG GLN 17 HG1 GLN 17 -13.255 2.189 9.164 152 1HE2 GLN 17 HE21 GLN 17 -11.938 3.929 8.933 153 2HE2 GLN 17 HE22 GLN 17 -12.436 5.411 8.179 154 H ASP 18 HN ASP 18 -11.145 -0.501 7.808 155 HA ASP 18 HA ASP 18 -10.121 0.209 10.281 156 1HB ASP 18 HB2 ASP 18 -9.740 -2.103 8.449 157 2HB ASP 18 HB1 ASP 18 -8.555 -1.911 9.732 158 H LEU 19 HN LEU 19 -8.432 -0.058 7.181 159 HA LEU 19 HA LEU 19 -5.857 0.591 8.127 160 1HB LEU 19 HB2 LEU 19 -7.053 1.046 5.390 161 2HB LEU 19 HB1 LEU 19 -5.343 1.105 5.772 162 HG LEU 19 HG LEU 19 -7.068 -1.356 6.050 163 1HD1 LEU 19 HD11 LEU 19 -5.908 -2.159 4.053 164 2HD1 LEU 19 HD12 LEU 19 -5.098 -0.600 3.896 165 3HD1 LEU 19 HD13 LEU 19 -6.850 -0.706 3.715 166 1HD2 LEU 19 HD21 LEU 19 -5.158 -1.321 7.566 167 2HD2 LEU 19 HD22 LEU 19 -4.080 -0.978 6.213 168 3HD2 LEU 19 HD23 LEU 19 -4.934 -2.519 6.292 169 H LEU 20 HN LEU 20 -8.462 2.582 6.788 170 HA LEU 20 HA LEU 20 -7.093 5.026 6.746 171 1HB LEU 20 HB2 LEU 20 -10.035 4.475 7.135 172 2HB LEU 20 HB1 LEU 20 -9.359 6.066 6.840 173 HG LEU 20 HG LEU 20 -9.233 3.725 4.934 174 1HD1 LEU 20 HD11 LEU 20 -11.479 4.644 5.131 175 2HD1 LEU 20 HD12 LEU 20 -10.770 5.059 3.571 176 3HD1 LEU 20 HD13 LEU 20 -10.853 6.268 4.851 177 1HD2 LEU 20 HD21 LEU 20 -7.277 5.155 4.722 178 2HD2 LEU 20 HD22 LEU 20 -8.310 6.581 4.621 179 3HD2 LEU 20 HD23 LEU 20 -8.351 5.371 3.339 180 H ASP 21 HN ASP 21 -9.007 3.493 9.300 181 HA ASP 21 HA ASP 21 -8.917 5.631 11.118 182 1HB ASP 21 HB2 ASP 21 -9.336 2.679 11.447 183 2HB ASP 21 HB1 ASP 21 -9.184 3.715 12.863 184 H VAL 22 HN VAL 22 -6.658 2.961 10.578 185 HA VAL 22 HA VAL 22 -4.925 3.486 12.725 186 HB VAL 22 HB VAL 22 -4.274 2.366 9.990 187 1HG1 VAL 22 HG11 VAL 22 -2.648 2.283 12.531 188 2HG1 VAL 22 HG12 VAL 22 -2.271 3.226 11.089 189 3HG1 VAL 22 HG13 VAL 22 -2.250 1.464 11.019 190 1HG2 VAL 22 HG21 VAL 22 -4.330 0.186 11.158 191 2HG2 VAL 22 HG22 VAL 22 -5.892 1.006 11.163 192 3HG2 VAL 22 HG23 VAL 22 -4.889 1.010 12.614 193 H LEU 23 HN LEU 23 -4.986 4.722 9.425 194 HA LEU 23 HA LEU 23 -2.580 6.200 9.602 195 1HB LEU 23 HB2 LEU 23 -4.921 6.530 7.724 196 2HB LEU 23 HB1 LEU 23 -3.333 7.243 7.502 197 HG LEU 23 HG LEU 23 -3.901 4.275 7.560 198 1HD1 LEU 23 HD11 LEU 23 -3.268 6.071 5.228 199 2HD1 LEU 23 HD12 LEU 23 -4.852 5.389 5.590 200 3HD1 LEU 23 HD13 LEU 23 -3.507 4.326 5.172 201 1HD2 LEU 23 HD21 LEU 23 -1.604 4.061 6.747 202 2HD2 LEU 23 HD22 LEU 23 -1.656 4.829 8.335 203 3HD2 LEU 23 HD23 LEU 23 -1.390 5.805 6.890 204 H VAL 24 HN VAL 24 -5.994 7.156 9.866 205 HA VAL 24 HA VAL 24 -5.494 9.906 10.295 206 HB VAL 24 HB VAL 24 -7.870 8.241 11.155 207 1HG1 VAL 24 HG11 VAL 24 -9.094 10.349 11.262 208 2HG1 VAL 24 HG12 VAL 24 -7.614 11.234 10.883 209 3HG1 VAL 24 HG13 VAL 24 -7.744 10.338 12.399 210 1HG2 VAL 24 HG21 VAL 24 -7.410 9.911 8.687 211 2HG2 VAL 24 HG22 VAL 24 -8.939 9.152 9.132 212 3HG2 VAL 24 HG23 VAL 24 -7.533 8.154 8.758 213 H LYS 25 HN LYS 25 -5.747 7.145 12.454 214 HA LYS 25 HA LYS 25 -5.858 8.360 14.932 215 1HB LYS 25 HB2 LYS 25 -6.050 5.964 14.697 216 2HB LYS 25 HB1 LYS 25 -4.419 5.853 14.053 217 1HG LYS 25 HG2 LYS 25 -3.591 6.682 16.274 218 2HG LYS 25 HG1 LYS 25 -5.239 6.491 16.873 219 1HD LYS 25 HD2 LYS 25 -3.877 4.535 17.402 220 2HD LYS 25 HD1 LYS 25 -5.181 4.118 16.289 221 1HE LYS 25 HE2 LYS 25 -3.589 4.277 14.410 222 2HE LYS 25 HE1 LYS 25 -2.297 4.625 15.556 223 1HZ LYS 25 HZ1 LYS 25 -2.364 2.284 14.880 224 2HZ LYS 25 HZ2 LYS 25 -3.918 2.137 15.528 225 3HZ LYS 25 HZ3 LYS 25 -2.603 2.467 16.547 226 H GLU 26 HN GLU 26 -3.046 7.782 12.878 227 HA GLU 26 HA GLU 26 -1.276 8.889 14.913 228 1HB GLU 26 HB2 GLU 26 -0.704 7.671 12.207 229 2HB GLU 26 HB1 GLU 26 0.531 8.259 13.312 230 1HG GLU 26 HG2 GLU 26 -1.427 6.053 13.912 231 2HG GLU 26 HG1 GLU 26 0.253 5.825 13.423 232 H GLU 27 HN GLU 27 -3.241 10.203 12.706 233 HA GLU 27 HA GLU 27 -3.316 12.057 11.391 234 1HB GLU 27 HB2 GLU 27 -1.337 12.971 13.487 235 2HB GLU 27 HB1 GLU 27 -2.005 14.040 12.265 236 1HG GLU 27 HG2 GLU 27 -3.522 14.501 13.839 237 2HG GLU 27 HG1 GLU 27 -4.272 13.002 13.300 238 H VAL 28 HN VAL 28 -1.798 10.137 10.235 239 HA VAL 28 HA VAL 28 0.876 10.877 9.692 240 HB VAL 28 HB VAL 28 0.845 9.197 7.920 241 1HG1 VAL 28 HG11 VAL 28 0.241 7.246 9.295 242 2HG1 VAL 28 HG12 VAL 28 -0.565 8.322 10.436 243 3HG1 VAL 28 HG13 VAL 28 1.178 8.440 10.194 244 1HG2 VAL 28 HG21 VAL 28 -1.191 7.910 7.447 245 2HG2 VAL 28 HG22 VAL 28 -1.364 9.606 6.996 246 3HG2 VAL 28 HG23 VAL 28 -2.114 9.007 8.475 247 H THR 29 HN THR 29 1.785 12.097 8.176 248 HA THR 29 HA THR 29 0.146 13.676 6.396 249 HB THR 29 HB THR 29 2.881 14.026 5.772 250 HG1 THR 29 HG1 THR 29 2.490 14.066 8.601 251 1HG2 THR 29 HG21 THR 29 1.075 15.633 7.590 252 2HG2 THR 29 HG22 THR 29 1.190 15.795 5.837 253 3HG2 THR 29 HG23 THR 29 2.570 16.213 6.854 254 HA PRO 30 HA PRO 30 0.173 11.276 2.707 255 1HB PRO 30 HB2 PRO 30 1.722 13.514 1.459 256 2HB PRO 30 HB1 PRO 30 0.299 12.658 0.852 257 1HG PRO 30 HG2 PRO 30 0.027 15.056 1.942 258 2HG PRO 30 HG1 PRO 30 -1.150 13.776 2.291 259 1HD PRO 30 HD2 PRO 30 1.020 14.871 4.010 260 2HD PRO 30 HD1 PRO 30 -0.577 14.247 4.467 261 H ASP 31 HN ASP 31 3.286 12.982 3.081 262 HA ASP 31 HA ASP 31 4.863 11.172 1.651 263 1HB ASP 31 HB2 ASP 31 5.782 12.786 4.036 264 2HB ASP 31 HB1 ASP 31 6.761 12.221 2.686 265 H LEU 32 HN LEU 32 4.227 11.367 5.132 266 HA LEU 32 HA LEU 32 5.768 9.124 5.883 267 1HB LEU 32 HB2 LEU 32 5.120 10.824 7.489 268 2HB LEU 32 HB1 LEU 32 3.424 10.466 7.231 269 HG LEU 32 HG LEU 32 3.795 8.202 8.201 270 1HD1 LEU 32 HD11 LEU 32 6.526 9.302 8.847 271 2HD1 LEU 32 HD12 LEU 32 6.171 7.976 7.741 272 3HD1 LEU 32 HD13 LEU 32 5.851 7.795 9.466 273 1HD2 LEU 32 HD21 LEU 32 4.022 8.992 10.530 274 2HD2 LEU 32 HD22 LEU 32 2.899 9.967 9.583 275 3HD2 LEU 32 HD23 LEU 32 4.520 10.570 9.921 276 H ALA 33 HN ALA 33 2.362 9.538 5.077 277 HA ALA 33 HA ALA 33 1.419 7.011 5.776 278 1HB ALA 33 HB1 ALA 33 -0.456 7.472 4.306 279 2HB ALA 33 HB2 ALA 33 0.446 8.785 3.548 280 3HB ALA 33 HB3 ALA 33 -0.031 8.906 5.241 281 H LEU 34 HN LEU 34 2.605 8.178 2.630 282 HA LEU 34 HA LEU 34 2.202 5.759 1.251 283 1HB LEU 34 HB2 LEU 34 4.189 7.958 0.683 284 2HB LEU 34 HB1 LEU 34 3.740 6.684 -0.435 285 HG LEU 34 HG LEU 34 1.928 8.855 0.619 286 1HD1 LEU 34 HD11 LEU 34 3.011 8.327 -2.143 287 2HD1 LEU 34 HD12 LEU 34 3.533 9.612 -1.054 288 3HD1 LEU 34 HD13 LEU 34 1.889 9.612 -1.693 289 1HD2 LEU 34 HD21 LEU 34 1.332 6.613 -1.309 290 2HD2 LEU 34 HD22 LEU 34 0.243 7.935 -0.883 291 3HD2 LEU 34 HD23 LEU 34 0.717 6.752 0.338 292 H MET 35 HN MET 35 5.027 7.036 2.956 293 HA MET 35 HA MET 35 6.845 5.017 2.254 294 1HB MET 35 HB2 MET 35 7.511 7.135 3.308 295 2HB MET 35 HB1 MET 35 6.710 6.649 4.794 296 1HG MET 35 HG2 MET 35 8.268 4.832 5.091 297 2HG MET 35 HG1 MET 35 9.029 5.195 3.544 298 1HE MET 35 HE1 MET 35 9.178 8.073 7.153 299 2HE MET 35 HE2 MET 35 8.379 6.503 7.218 300 3HE MET 35 HE3 MET 35 7.730 7.781 6.189 301 H CYS 36 HN CYS 36 4.533 5.220 4.928 302 HA CYS 36 HA CYS 36 5.358 2.764 6.129 303 1HB CYS 36 HB2 CYS 36 2.761 4.283 6.447 304 2HB CYS 36 HB1 CYS 36 3.350 3.008 7.510 305 HG CYS 36 HG CYS 36 4.565 6.176 7.155 306 H LEU 37 HN LEU 37 2.592 3.694 4.094 307 HA LEU 37 HA LEU 37 1.343 1.187 4.029 308 1HB LEU 37 HB2 LEU 37 1.343 3.439 2.022 309 2HB LEU 37 HB1 LEU 37 0.317 2.023 1.882 310 HG LEU 37 HG LEU 37 0.243 3.964 4.198 311 1HD1 LEU 37 HD11 LEU 37 -0.498 5.050 2.155 312 2HD1 LEU 37 HD12 LEU 37 -1.870 4.733 3.215 313 3HD1 LEU 37 HD13 LEU 37 -1.586 3.704 1.813 314 1HD2 LEU 37 HD21 LEU 37 -1.817 2.820 4.791 315 2HD2 LEU 37 HD22 LEU 37 -0.475 1.679 4.745 316 3HD2 LEU 37 HD23 LEU 37 -1.633 1.734 3.415 317 H GLY 38 HN GLY 38 3.608 2.640 1.689 318 1HA GLY 38 HA2 GLY 38 3.624 0.454 -0.087 319 2HA GLY 38 HA1 GLY 38 4.862 1.695 0.019 320 H ASN 39 HN ASN 39 5.548 1.149 2.766 321 HA ASN 39 HA ASN 39 7.507 -0.852 2.366 322 1HB ASN 39 HB2 ASN 39 7.437 1.144 4.059 323 2HB ASN 39 HB1 ASN 39 6.597 0.001 5.100 324 1HD2 ASN 39 HD21 ASN 39 9.582 0.882 3.636 325 2HD2 ASN 39 HD22 ASN 39 10.581 -0.245 4.489 326 H ALA 40 HN ALA 40 4.436 -0.796 4.123 327 HA ALA 40 HA ALA 40 4.529 -3.436 5.099 328 1HB ALA 40 HB1 ALA 40 3.003 -1.726 5.974 329 2HB ALA 40 HB2 ALA 40 2.139 -3.185 5.490 330 3HB ALA 40 HB3 ALA 40 2.105 -1.757 4.456 331 H VAL 41 HN VAL 41 3.178 -2.044 2.135 332 HA VAL 41 HA VAL 41 2.027 -4.354 1.052 333 HB VAL 41 HB VAL 41 3.339 -2.059 -0.429 334 1HG1 VAL 41 HG11 VAL 41 1.974 -2.741 -2.336 335 2HG1 VAL 41 HG12 VAL 41 1.377 -4.124 -1.419 336 3HG1 VAL 41 HG13 VAL 41 3.084 -4.024 -1.853 337 1HG2 VAL 41 HG21 VAL 41 1.071 -1.181 -0.653 338 2HG2 VAL 41 HG22 VAL 41 1.524 -1.342 1.044 339 3HG2 VAL 41 HG23 VAL 41 0.450 -2.526 0.300 340 H THR 42 HN THR 42 5.328 -3.128 0.878 341 HA THR 42 HA THR 42 6.346 -4.953 -0.984 342 HB THR 42 HB THR 42 7.825 -3.601 1.284 343 HG1 THR 42 HG1 THR 42 6.765 -2.099 -0.095 344 1HG2 THR 42 HG21 THR 42 9.800 -3.857 -0.153 345 2HG2 THR 42 HG22 THR 42 8.829 -4.743 -1.329 346 3HG2 THR 42 HG23 THR 42 9.109 -5.423 0.273 347 H ASN 43 HN ASN 43 5.954 -5.183 2.518 348 HA ASN 43 HA ASN 43 7.372 -7.650 2.763 349 1HB ASN 43 HB2 ASN 43 5.506 -6.152 4.586 350 2HB ASN 43 HB1 ASN 43 6.084 -7.762 4.998 351 1HD2 ASN 43 HD21 ASN 43 7.234 -7.098 6.766 352 2HD2 ASN 43 HD22 ASN 43 8.681 -6.153 6.644 353 H ILE 44 HN ILE 44 4.061 -6.772 2.083 354 HA ILE 44 HA ILE 44 2.945 -9.364 2.463 355 HB ILE 44 HB ILE 44 1.965 -7.089 0.722 356 1HG1 ILE 44 HG12 ILE 44 2.099 -6.486 3.092 357 2HG1 ILE 44 HG11 ILE 44 0.422 -6.623 2.579 358 1HG2 ILE 44 HG21 ILE 44 -0.215 -8.212 0.785 359 2HG2 ILE 44 HG22 ILE 44 0.513 -9.564 1.651 360 3HG2 ILE 44 HG23 ILE 44 1.010 -9.207 -0.002 361 1HD1 ILE 44 HD11 ILE 44 0.737 -7.591 4.772 362 2HD1 ILE 44 HD12 ILE 44 1.975 -8.674 4.140 363 3HD1 ILE 44 HD13 ILE 44 0.301 -8.843 3.609 364 H ILE 45 HN ILE 45 4.106 -7.600 -0.394 365 HA ILE 45 HA ILE 45 3.650 -9.745 -2.213 366 HB ILE 45 HB ILE 45 5.537 -7.401 -2.524 367 1HG1 ILE 45 HG12 ILE 45 2.651 -7.663 -3.394 368 2HG1 ILE 45 HG11 ILE 45 3.196 -6.733 -2.001 369 1HG2 ILE 45 HG21 ILE 45 5.952 -9.162 -4.149 370 2HG2 ILE 45 HG22 ILE 45 5.225 -7.760 -4.934 371 3HG2 ILE 45 HG23 ILE 45 4.244 -9.184 -4.587 372 1HD1 ILE 45 HD11 ILE 45 3.922 -6.212 -4.873 373 2HD1 ILE 45 HD12 ILE 45 4.481 -5.282 -3.481 374 3HD1 ILE 45 HD13 ILE 45 2.769 -5.296 -3.901 375 H ALA 46 HN ALA 46 6.056 -9.146 0.124 376 HA ALA 46 HA ALA 46 8.202 -10.572 -1.098 377 1HB ALA 46 HB1 ALA 46 8.559 -8.946 0.706 378 2HB ALA 46 HB2 ALA 46 9.239 -10.525 1.099 379 3HB ALA 46 HB3 ALA 46 7.716 -10.015 1.829 380 H GLN 47 HN GLN 47 5.275 -11.526 0.293 381 HA GLN 47 HA GLN 47 6.217 -14.201 1.012 382 1HB GLN 47 HB2 GLN 47 3.444 -13.000 1.149 383 2HB GLN 47 HB1 GLN 47 3.927 -14.557 1.811 384 1HG GLN 47 HG2 GLN 47 5.392 -13.470 3.391 385 2HG GLN 47 HG1 GLN 47 5.032 -11.897 2.683 386 1HE2 GLN 47 HE21 GLN 47 4.248 -11.065 4.584 387 2HE2 GLN 47 HE22 GLN 47 2.738 -11.557 5.270 388 H VAL 48 HN VAL 48 5.657 -12.752 -1.749 389 HA VAL 48 HA VAL 48 4.152 -14.966 -2.983 390 HB VAL 48 HB VAL 48 4.634 -12.182 -4.076 391 1HG1 VAL 48 HG11 VAL 48 4.307 -13.879 -5.801 392 2HG1 VAL 48 HG12 VAL 48 2.948 -12.758 -5.734 393 3HG1 VAL 48 HG13 VAL 48 2.799 -14.370 -5.035 394 1HG2 VAL 48 HG21 VAL 48 2.138 -13.325 -2.821 395 2HG2 VAL 48 HG22 VAL 48 2.287 -11.733 -3.566 396 3HG2 VAL 48 HG23 VAL 48 3.194 -12.111 -2.102 397 HA PRO 49 HA PRO 49 8.197 -16.282 -4.490 398 1HB PRO 49 HB2 PRO 49 6.427 -17.619 -6.484 399 2HB PRO 49 HB1 PRO 49 7.758 -18.289 -5.534 400 1HG PRO 49 HG2 PRO 49 5.236 -18.802 -4.866 401 2HG PRO 49 HG1 PRO 49 6.461 -18.501 -3.620 402 1HD PRO 49 HD2 PRO 49 4.289 -16.718 -4.613 403 2HD PRO 49 HD1 PRO 49 4.961 -16.876 -2.977 404 H GLU 50 HN GLU 50 9.545 -15.411 -5.943 405 HA GLU 50 HA GLU 50 9.092 -13.173 -7.370 406 1HB GLU 50 HB2 GLU 50 11.037 -15.347 -8.122 407 2HB GLU 50 HB1 GLU 50 11.082 -13.703 -8.748 408 1HG GLU 50 HG2 GLU 50 12.599 -13.517 -7.070 409 2HG GLU 50 HG1 GLU 50 11.127 -13.101 -6.185 410 H SER 51 HN SER 51 8.644 -16.428 -8.665 411 HA SER 51 HA SER 51 8.276 -15.981 -11.328 412 1HB SER 51 HB2 SER 51 8.151 -18.191 -10.254 413 2HB SER 51 HB1 SER 51 6.586 -17.768 -9.564 414 HG SER 51 HG SER 51 6.885 -17.518 -12.332 415 H LYS 52 HN LYS 52 5.874 -15.423 -8.772 416 HA LYS 52 HA LYS 52 4.214 -14.020 -10.761 417 1HB LYS 52 HB2 LYS 52 2.335 -14.387 -9.124 418 2HB LYS 52 HB1 LYS 52 2.962 -15.844 -9.879 419 1HG LYS 52 HG2 LYS 52 4.187 -16.412 -7.898 420 2HG LYS 52 HG1 LYS 52 3.755 -14.880 -7.142 421 1HD LYS 52 HD2 LYS 52 2.288 -16.428 -6.177 422 2HD LYS 52 HD1 LYS 52 1.325 -15.640 -7.424 423 1HE LYS 52 HE2 LYS 52 2.760 -18.252 -7.856 424 2HE LYS 52 HE1 LYS 52 1.103 -18.153 -7.266 425 1HZ LYS 52 HZ1 LYS 52 1.010 -18.476 -9.592 426 2HZ LYS 52 HZ2 LYS 52 2.146 -17.259 -9.894 427 3HZ LYS 52 HZ3 LYS 52 0.598 -16.852 -9.326 428 H ARG 53 HN ARG 53 6.353 -13.510 -8.303 429 HA ARG 53 HA ARG 53 5.142 -11.492 -6.743 430 1HB ARG 53 HB2 ARG 53 7.291 -12.783 -6.272 431 2HB ARG 53 HB1 ARG 53 8.079 -11.689 -7.400 432 1HG ARG 53 HG2 ARG 53 7.307 -9.795 -5.956 433 2HG ARG 53 HG1 ARG 53 6.788 -11.005 -4.781 434 1HD ARG 53 HD2 ARG 53 9.585 -10.495 -5.777 435 2HD ARG 53 HD1 ARG 53 8.963 -10.231 -4.150 436 HE ARG 53 HE ARG 53 9.413 -12.869 -5.378 437 1HH1 ARG 53 HH11 ARG 53 9.011 -10.862 -2.578 438 2HH1 ARG 53 HH12 ARG 53 9.497 -12.093 -1.460 439 1HH2 ARG 53 HH21 ARG 53 10.110 -14.499 -3.922 440 2HH2 ARG 53 HH22 ARG 53 10.130 -14.153 -2.220 441 H VAL 54 HN VAL 54 7.271 -11.316 -9.577 442 HA VAL 54 HA VAL 54 7.283 -8.494 -9.754 443 HB VAL 54 HB VAL 54 7.747 -10.510 -11.963 444 1HG1 VAL 54 HG11 VAL 54 8.559 -7.612 -11.749 445 2HG1 VAL 54 HG12 VAL 54 7.344 -8.278 -12.840 446 3HG1 VAL 54 HG13 VAL 54 9.040 -8.720 -13.033 447 1HG2 VAL 54 HG21 VAL 54 9.708 -9.200 -10.079 448 2HG2 VAL 54 HG22 VAL 54 10.131 -10.234 -11.443 449 3HG2 VAL 54 HG23 VAL 54 9.236 -10.898 -10.078 450 H ALA 55 HN ALA 55 5.137 -10.970 -10.951 451 HA ALA 55 HA ALA 55 3.725 -9.358 -12.810 452 1HB ALA 55 HB1 ALA 55 2.077 -11.149 -12.827 453 2HB ALA 55 HB2 ALA 55 2.819 -11.863 -11.394 454 3HB ALA 55 HB3 ALA 55 3.713 -11.805 -12.914 455 H VAL 56 HN VAL 56 3.117 -10.252 -9.411 456 HA VAL 56 HA VAL 56 0.615 -8.882 -9.340 457 HB VAL 56 HB VAL 56 0.676 -9.239 -6.890 458 1HG1 VAL 56 HG11 VAL 56 -0.245 -10.948 -8.349 459 2HG1 VAL 56 HG12 VAL 56 0.577 -11.689 -6.975 460 3HG1 VAL 56 HG13 VAL 56 1.357 -11.657 -8.557 461 1HG2 VAL 56 HG21 VAL 56 2.463 -10.557 -5.886 462 2HG2 VAL 56 HG22 VAL 56 3.080 -9.030 -6.519 463 3HG2 VAL 56 HG23 VAL 56 3.349 -10.528 -7.410 464 H VAL 57 HN VAL 57 3.918 -8.002 -8.408 465 HA VAL 57 HA VAL 57 3.140 -5.613 -7.080 466 HB VAL 57 HB VAL 57 5.309 -6.722 -6.644 467 1HG1 VAL 57 HG11 VAL 57 5.932 -7.340 -8.907 468 2HG1 VAL 57 HG12 VAL 57 7.193 -6.360 -8.162 469 3HG1 VAL 57 HG13 VAL 57 6.099 -5.638 -9.342 470 1HG2 VAL 57 HG21 VAL 57 4.978 -4.410 -5.980 471 2HG2 VAL 57 HG22 VAL 57 5.514 -3.861 -7.569 472 3HG2 VAL 57 HG23 VAL 57 6.646 -4.677 -6.488 473 H ASP 58 HN ASP 58 4.027 -6.365 -10.407 474 HA ASP 58 HA ASP 58 4.243 -3.679 -11.278 475 1HB ASP 58 HB2 ASP 58 5.145 -5.583 -12.575 476 2HB ASP 58 HB1 ASP 58 3.499 -6.110 -12.908 477 H ASN 59 HN ASN 59 1.587 -6.039 -11.444 478 HA ASN 59 HA ASN 59 -0.309 -4.333 -12.610 479 1HB ASN 59 HB2 ASN 59 -0.494 -6.820 -10.960 480 2HB ASN 59 HB1 ASN 59 -1.959 -5.895 -11.266 481 1HD2 ASN 59 HD21 ASN 59 0.539 -7.863 -12.659 482 2HD2 ASN 59 HD22 ASN 59 -0.232 -8.106 -14.194 483 H PHE 60 HN PHE 60 0.653 -4.793 -9.263 484 HA PHE 60 HA PHE 60 -1.286 -3.228 -7.994 485 1HB PHE 60 HB2 PHE 60 0.389 -4.619 -6.802 486 2HB PHE 60 HB1 PHE 60 1.650 -3.493 -7.301 487 HD1 PHE 60 HD1 PHE 60 -1.623 -3.472 -5.491 488 HD2 PHE 60 HD2 PHE 60 2.311 -1.886 -5.843 489 HE1 PHE 60 HE1 PHE 60 -1.984 -2.129 -3.460 490 HE2 PHE 60 HE2 PHE 60 1.956 -0.541 -3.818 491 HZ PHE 60 HZ PHE 60 -0.186 -0.663 -2.624 492 H THR 61 HN THR 61 1.930 -2.301 -9.182 493 HA THR 61 HA THR 61 1.601 0.439 -8.563 494 HB THR 61 HB THR 61 3.639 0.754 -9.997 495 HG1 THR 61 HG1 THR 61 2.930 -1.735 -10.824 496 1HG2 THR 61 HG21 THR 61 5.119 -0.412 -8.457 497 2HG2 THR 61 HG22 THR 61 3.791 -1.442 -7.926 498 3HG2 THR 61 HG23 THR 61 3.758 0.290 -7.586 499 H LYS 62 HN LYS 62 1.095 -1.447 -11.499 500 HA LYS 62 HA LYS 62 0.618 0.735 -13.230 501 1HB LYS 62 HB2 LYS 62 1.122 -1.541 -14.007 502 2HB LYS 62 HB1 LYS 62 -0.407 -2.107 -13.355 503 1HG LYS 62 HG2 LYS 62 -1.644 -0.902 -14.966 504 2HG LYS 62 HG1 LYS 62 -0.219 0.001 -15.483 505 1HD LYS 62 HD2 LYS 62 0.780 -2.000 -16.389 506 2HD LYS 62 HD1 LYS 62 -0.533 -2.987 -15.743 507 1HE LYS 62 HE2 LYS 62 -0.926 -0.781 -17.754 508 2HE LYS 62 HE1 LYS 62 -0.699 -2.474 -18.189 509 1HZ LYS 62 HZ1 LYS 62 -2.696 -3.072 -17.125 510 2HZ LYS 62 HZ2 LYS 62 -3.060 -1.691 -18.042 511 3HZ LYS 62 HZ3 LYS 62 -2.854 -1.562 -16.365 512 H ALA 63 HN ALA 63 -1.505 -1.203 -11.165 513 HA ALA 63 HA ALA 63 -3.929 0.038 -11.901 514 1HB ALA 63 HB1 ALA 63 -4.831 -0.868 -9.826 515 2HB ALA 63 HB2 ALA 63 -3.198 -1.218 -9.256 516 3HB ALA 63 HB3 ALA 63 -3.848 -2.075 -10.656 517 H LEU 64 HN LEU 64 -1.573 0.736 -9.346 518 HA LEU 64 HA LEU 64 -2.862 2.893 -8.137 519 1HB LEU 64 HB2 LEU 64 -0.003 2.090 -8.443 520 2HB LEU 64 HB1 LEU 64 -0.377 3.667 -7.772 521 HG LEU 64 HG LEU 64 -1.439 1.079 -6.639 522 1HD1 LEU 64 HD11 LEU 64 0.999 1.133 -6.487 523 2HD1 LEU 64 HD12 LEU 64 0.256 1.348 -4.901 524 3HD1 LEU 64 HD13 LEU 64 0.921 2.738 -5.757 525 1HD2 LEU 64 HD21 LEU 64 -1.337 3.902 -5.582 526 2HD2 LEU 64 HD22 LEU 64 -1.902 2.494 -4.680 527 3HD2 LEU 64 HD23 LEU 64 -2.779 3.036 -6.111 528 H LYS 65 HN LYS 65 -0.614 2.867 -10.880 529 HA LYS 65 HA LYS 65 -0.426 5.625 -11.208 530 1HB LYS 65 HB2 LYS 65 -0.117 3.357 -13.162 531 2HB LYS 65 HB1 LYS 65 0.130 5.034 -13.634 532 1HG LYS 65 HG2 LYS 65 1.891 5.261 -11.965 533 2HG LYS 65 HG1 LYS 65 1.632 3.590 -11.459 534 1HD LYS 65 HD2 LYS 65 2.359 2.765 -13.586 535 2HD LYS 65 HD1 LYS 65 2.405 4.396 -14.260 536 1HE LYS 65 HE2 LYS 65 4.146 3.381 -12.013 537 2HE LYS 65 HE1 LYS 65 4.648 3.553 -13.694 538 1HZ LYS 65 HZ1 LYS 65 5.386 5.466 -12.484 539 2HZ LYS 65 HZ2 LYS 65 3.842 5.728 -11.847 540 3HZ LYS 65 HZ3 LYS 65 4.117 5.953 -13.500 541 H GLN 66 HN GLN 66 -2.715 3.353 -12.755 542 HA GLN 66 HA GLN 66 -3.987 5.452 -14.221 543 1HB GLN 66 HB2 GLN 66 -5.593 3.799 -14.930 544 2HB GLN 66 HB1 GLN 66 -3.987 3.098 -14.990 545 1HG GLN 66 HG2 GLN 66 -5.172 1.376 -14.078 546 2HG GLN 66 HG1 GLN 66 -4.618 2.192 -12.619 547 1HE2 GLN 66 HE21 GLN 66 -6.307 1.359 -11.406 548 2HE2 GLN 66 HE22 GLN 66 -7.935 1.932 -11.561 549 H SER 67 HN SER 67 -4.239 4.361 -11.006 550 HA SER 67 HA SER 67 -6.921 5.339 -10.589 551 1HB SER 67 HB2 SER 67 -4.801 4.464 -8.612 552 2HB SER 67 HB1 SER 67 -6.475 4.840 -8.205 553 HG SER 67 HG SER 67 -5.491 2.724 -9.814 554 H VAL 68 HN VAL 68 -3.621 6.422 -9.872 555 HA VAL 68 HA VAL 68 -4.457 8.804 -8.533 556 HB VAL 68 HB VAL 68 -1.778 8.053 -9.716 557 1HG1 VAL 68 HG11 VAL 68 -0.858 9.848 -8.309 558 2HG1 VAL 68 HG12 VAL 68 -2.496 10.331 -7.870 559 3HG1 VAL 68 HG13 VAL 68 -1.954 10.472 -9.542 560 1HG2 VAL 68 HG21 VAL 68 -2.468 6.572 -7.927 561 2HG2 VAL 68 HG22 VAL 68 -2.837 7.952 -6.894 562 3HG2 VAL 68 HG23 VAL 68 -1.170 7.627 -7.366 563 H LEU 69 HN LEU 69 -3.659 7.962 -11.837 564 HA LEU 69 HA LEU 69 -3.754 10.665 -12.805 565 1HB LEU 69 HB2 LEU 69 -3.935 8.024 -14.255 566 2HB LEU 69 HB1 LEU 69 -3.833 9.583 -15.049 567 HG LEU 69 HG LEU 69 -1.711 8.388 -13.264 568 1HD1 LEU 69 HD11 LEU 69 -1.810 8.745 -16.256 569 2HD1 LEU 69 HD12 LEU 69 -1.903 7.213 -15.388 570 3HD1 LEU 69 HD13 LEU 69 -0.422 8.169 -15.334 571 1HD2 LEU 69 HD21 LEU 69 -1.717 10.919 -14.907 572 2HD2 LEU 69 HD22 LEU 69 -0.336 10.265 -14.026 573 3HD2 LEU 69 HD23 LEU 69 -1.759 10.825 -13.147 574 H GLU 70 HN GLU 70 -6.032 9.024 -11.379 575 HA GLU 70 HA GLU 70 -8.177 10.206 -12.994 576 1HB GLU 70 HB2 GLU 70 -8.102 7.755 -13.376 577 2HB GLU 70 HB1 GLU 70 -8.257 7.491 -11.648 578 1HG GLU 70 HG2 GLU 70 -10.364 7.145 -12.827 579 2HG GLU 70 HG1 GLU 70 -10.470 8.463 -11.661 580 H HIS 71 HN HIS 71 -10.054 10.808 -11.718 581 HA HIS 71 HA HIS 71 -9.910 10.468 -8.855 582 1HB HIS 71 HB2 HIS 71 -10.245 12.914 -8.384 583 2HB HIS 71 HB1 HIS 71 -8.634 12.483 -8.933 584 HD1 HIS 71 HD1 HIS 71 -7.834 13.479 -11.148 585 HD2 HIS 71 HD2 HIS 71 -11.743 14.508 -10.168 586 HE1 HIS 71 HE1 HIS 71 -8.449 15.361 -12.698 587 HE2 HIS 71 HE2 HIS 71 -10.753 16.083 -11.969 588 H HIS 72 HN HIS 72 -11.835 9.790 -8.309 589 HA HIS 72 HA HIS 72 -14.238 11.027 -9.268 590 1HB HIS 72 HB2 HIS 72 -15.132 9.181 -10.527 591 2HB HIS 72 HB1 HIS 72 -13.561 9.585 -11.204 592 HD1 HIS 72 HD1 HIS 72 -15.515 6.776 -10.116 593 HD2 HIS 72 HD2 HIS 72 -11.459 7.707 -10.173 594 HE1 HIS 72 HE1 HIS 72 -14.308 4.582 -9.854 595 HE2 HIS 72 HE2 HIS 72 -11.871 5.201 -9.675 596 H HIS 73 HN HIS 73 -15.894 10.672 -7.903 597 HA HIS 73 HA HIS 73 -15.711 8.347 -6.094 598 1HB HIS 73 HB2 HIS 73 -16.581 11.167 -5.496 599 2HB HIS 73 HB1 HIS 73 -17.192 9.821 -4.546 600 HD1 HIS 73 HD1 HIS 73 -16.025 10.833 -2.468 601 HD2 HIS 73 HD2 HIS 73 -13.426 9.666 -5.496 602 HE1 HIS 73 HE1 HIS 73 -13.737 10.783 -1.420 603 HE2 HIS 73 HE2 HIS 73 -12.202 9.924 -3.227 604 H HIS 74 HN HIS 74 -18.346 10.658 -6.415 605 HA HIS 74 HA HIS 74 -19.809 8.978 -8.274 606 1HB HIS 74 HB2 HIS 74 -20.726 9.393 -5.431 607 2HB HIS 74 HB1 HIS 74 -21.864 9.050 -6.728 608 HD1 HIS 74 HD1 HIS 74 -19.679 7.424 -4.319 609 HD2 HIS 74 HD2 HIS 74 -21.341 6.460 -8.008 610 HE1 HIS 74 HE1 HIS 74 -19.514 4.921 -4.505 611 HE2 HIS 74 HE2 HIS 74 -20.329 4.389 -6.828 612 H HIS 75 HN HIS 75 -18.687 11.784 -7.621 613 HA HIS 75 HA HIS 75 -19.128 13.951 -8.013 614 1HB HIS 75 HB2 HIS 75 -19.744 12.944 -10.253 615 2HB HIS 75 HB1 HIS 75 -21.427 13.034 -9.739 616 HD1 HIS 75 HD1 HIS 75 -22.600 15.194 -10.206 617 HD2 HIS 75 HD2 HIS 75 -18.458 15.585 -10.286 618 HE1 HIS 75 HE1 HIS 75 -22.151 17.553 -10.952 619 HE2 HIS 75 HE2 HIS 75 -19.651 17.828 -10.764 620 H HIS 76 HN HIS 76 -19.738 14.295 -5.842 621 HA HIS 76 HA HIS 76 -22.623 14.706 -5.438 622 1HB HIS 76 HB2 HIS 76 -20.340 14.340 -3.504 623 2HB HIS 76 HB1 HIS 76 -21.866 15.050 -2.991 624 HD1 HIS 76 HD1 HIS 76 -23.558 13.451 -2.178 625 HD2 HIS 76 HD2 HIS 76 -20.754 11.621 -4.648 626 HE1 HIS 76 HE1 HIS 76 -24.106 10.998 -2.127 627 HE2 HIS 76 HE2 HIS 76 -22.371 9.894 -3.580 628 1H MET 1 HT1 MET 1 24.968 13.654 11.492 629 2H MET 1 HT2 MET 1 25.100 13.233 9.862 630 3H MET 1 HT3 MET 1 23.576 13.347 10.586 631 HA MET 1 HA MET 1 23.856 15.690 10.935 632 1HB MET 1 HB2 MET 1 26.529 15.189 9.646 633 2HB MET 1 HB1 MET 1 25.797 16.785 9.679 634 1HG MET 1 HG2 MET 1 27.377 16.589 11.468 635 2HG MET 1 HG1 MET 1 25.750 16.683 12.138 636 1HE MET 1 HE1 MET 1 26.798 15.863 14.471 637 2HE MET 1 HE2 MET 1 28.390 15.725 13.723 638 3HE MET 1 HE3 MET 1 27.728 14.375 14.646 639 HA PRO 2 HA PRO 2 23.826 16.034 6.071 640 1HB PRO 2 HB2 PRO 2 23.906 13.613 4.749 641 2HB PRO 2 HB1 PRO 2 25.288 14.694 4.951 642 1HG PRO 2 HG2 PRO 2 24.532 12.266 6.517 643 2HG PRO 2 HG1 PRO 2 26.135 12.795 5.971 644 1HD PRO 2 HD2 PRO 2 25.341 13.136 8.502 645 2HD PRO 2 HD1 PRO 2 26.338 14.350 7.677 646 H ILE 3 HN ILE 3 22.536 13.031 7.443 647 HA ILE 3 HA ILE 3 19.983 13.547 6.097 648 HB ILE 3 HB ILE 3 20.898 11.052 7.537 649 1HG1 ILE 3 HG12 ILE 3 22.189 11.413 5.487 650 2HG1 ILE 3 HG11 ILE 3 21.085 10.058 5.284 651 1HG2 ILE 3 HG21 ILE 3 18.456 11.564 5.844 652 2HG2 ILE 3 HG22 ILE 3 18.485 11.312 7.589 653 3HG2 ILE 3 HG23 ILE 3 18.938 10.000 6.502 654 1HD1 ILE 3 HD11 ILE 3 20.667 12.850 4.242 655 2HD1 ILE 3 HD12 ILE 3 19.555 11.496 4.040 656 3HD1 ILE 3 HD13 ILE 3 21.153 11.443 3.296 657 H VAL 4 HN VAL 4 18.852 14.931 7.326 658 HA VAL 4 HA VAL 4 18.607 14.423 10.203 659 HB VAL 4 HB VAL 4 17.551 16.754 8.583 660 1HG1 VAL 4 HG11 VAL 4 17.789 16.376 11.568 661 2HG1 VAL 4 HG12 VAL 4 16.292 16.357 10.635 662 3HG1 VAL 4 HG13 VAL 4 17.240 17.841 10.754 663 1HG2 VAL 4 HG21 VAL 4 20.005 16.598 10.335 664 2HG2 VAL 4 HG22 VAL 4 19.397 18.044 9.528 665 3HG2 VAL 4 HG23 VAL 4 20.000 16.690 8.573 666 H SER 5 HN SER 5 16.772 13.571 11.048 667 HA SER 5 HA SER 5 14.644 12.917 9.133 668 1HB SER 5 HB2 SER 5 15.746 10.986 10.199 669 2HB SER 5 HB1 SER 5 15.304 11.611 11.787 670 HG SER 5 HG SER 5 13.466 10.634 11.541 671 H LYS 6 HN LYS 6 12.636 13.653 9.385 672 HA LYS 6 HA LYS 6 12.024 15.350 11.683 673 1HB LYS 6 HB2 LYS 6 10.503 14.751 9.139 674 2HB LYS 6 HB1 LYS 6 9.906 15.805 10.412 675 1HG LYS 6 HG2 LYS 6 11.805 17.299 10.069 676 2HG LYS 6 HG1 LYS 6 12.402 16.237 8.788 677 1HD LYS 6 HD2 LYS 6 10.440 16.647 7.464 678 2HD LYS 6 HD1 LYS 6 9.697 17.571 8.770 679 1HE LYS 6 HE2 LYS 6 12.216 18.316 7.292 680 2HE LYS 6 HE1 LYS 6 10.625 19.029 7.032 681 1HZ LYS 6 HZ1 LYS 6 11.943 20.441 8.442 682 2HZ LYS 6 HZ2 LYS 6 12.231 19.172 9.531 683 3HZ LYS 6 HZ3 LYS 6 10.665 19.791 9.349 684 H TYR 7 HN TYR 7 11.715 12.132 10.815 685 HA TYR 7 HA TYR 7 9.284 11.791 12.446 686 1HB TYR 7 HB2 TYR 7 10.371 9.954 10.301 687 2HB TYR 7 HB1 TYR 7 8.889 9.712 11.217 688 HD1 TYR 7 HD2 TYR 7 6.963 11.265 10.866 689 HD2 TYR 7 HD1 TYR 7 10.423 11.356 8.392 690 HE1 TYR 7 HE2 TYR 7 5.708 12.509 9.163 691 HE2 TYR 7 HE1 TYR 7 9.174 12.602 6.684 692 HH TYR 7 HH TYR 7 6.888 13.009 5.992 693 H SER 8 HN SER 8 9.191 9.953 13.852 694 HA SER 8 HA SER 8 11.802 9.167 14.880 695 1HB SER 8 HB2 SER 8 9.060 8.437 15.940 696 2HB SER 8 HB1 SER 8 10.599 8.325 16.795 697 HG SER 8 HG SER 8 10.440 10.355 17.302 698 H ASN 9 HN ASN 9 12.679 7.198 14.561 699 HA ASN 9 HA ASN 9 11.839 5.519 12.512 700 1HB ASN 9 HB2 ASN 9 14.143 5.555 13.427 701 2HB ASN 9 HB1 ASN 9 13.559 4.783 14.897 702 1HD2 ASN 9 HD21 ASN 9 12.957 2.611 14.841 703 2HD2 ASN 9 HD22 ASN 9 13.377 1.568 13.522 704 H GLU 10 HN GLU 10 11.338 5.302 15.978 705 HA GLU 10 HA GLU 10 10.060 2.893 16.269 706 1HB GLU 10 HB2 GLU 10 10.597 4.360 18.147 707 2HB GLU 10 HB1 GLU 10 9.404 5.529 17.599 708 1HG GLU 10 HG2 GLU 10 7.704 3.627 17.886 709 2HG GLU 10 HG1 GLU 10 8.967 2.836 18.830 710 H ARG 11 HN ARG 11 8.522 6.024 15.536 711 HA ARG 11 HA ARG 11 5.918 4.934 15.472 712 1HB ARG 11 HB2 ARG 11 6.406 7.323 15.951 713 2HB ARG 11 HB1 ARG 11 6.847 7.543 14.261 714 1HG ARG 11 HG2 ARG 11 4.669 7.247 13.522 715 2HG ARG 11 HG1 ARG 11 4.163 6.466 15.022 716 1HD ARG 11 HD2 ARG 11 4.882 8.854 15.991 717 2HD ARG 11 HD1 ARG 11 4.426 9.337 14.355 718 HE ARG 11 HE ARG 11 2.478 7.632 15.587 719 1HH1 ARG 11 HH11 ARG 11 3.535 10.958 15.229 720 2HH1 ARG 11 HH12 ARG 11 2.034 11.621 15.791 721 1HH2 ARG 11 HH21 ARG 11 0.537 8.487 16.339 722 2HH2 ARG 11 HH22 ARG 11 0.307 10.211 16.403 723 H VAL 12 HN VAL 12 8.311 5.562 12.956 724 HA VAL 12 HA VAL 12 6.648 5.133 10.733 725 HB VAL 12 HB VAL 12 9.598 4.518 11.017 726 1HG1 VAL 12 HG11 VAL 12 7.893 4.808 8.544 727 2HG1 VAL 12 HG12 VAL 12 8.671 3.333 9.117 728 3HG1 VAL 12 HG13 VAL 12 9.652 4.687 8.557 729 1HG2 VAL 12 HG21 VAL 12 9.123 6.850 11.460 730 2HG2 VAL 12 HG22 VAL 12 8.150 6.964 9.992 731 3HG2 VAL 12 HG23 VAL 12 9.890 6.695 9.880 732 H GLU 13 HN GLU 13 8.773 2.829 12.460 733 HA GLU 13 HA GLU 13 7.855 0.551 11.023 734 1HB GLU 13 HB2 GLU 13 9.194 0.761 13.728 735 2HB GLU 13 HB1 GLU 13 8.935 -0.745 12.858 736 1HG GLU 13 HG2 GLU 13 10.346 0.056 11.037 737 2HG GLU 13 HG1 GLU 13 10.595 1.575 11.896 738 H LYS 14 HN LYS 14 6.773 2.227 13.853 739 HA LYS 14 HA LYS 14 5.066 0.332 15.007 740 1HB LYS 14 HB2 LYS 14 5.844 2.874 15.579 741 2HB LYS 14 HB1 LYS 14 4.195 3.153 15.043 742 1HG LYS 14 HG2 LYS 14 3.314 1.771 16.755 743 2HG LYS 14 HG1 LYS 14 4.924 1.178 17.187 744 1HD LYS 14 HD2 LYS 14 5.550 3.530 17.752 745 2HD LYS 14 HD1 LYS 14 3.861 3.980 17.509 746 1HE LYS 14 HE2 LYS 14 3.165 2.536 19.297 747 2HE LYS 14 HE1 LYS 14 4.802 1.900 19.473 748 1HZ LYS 14 HZ1 LYS 14 3.903 4.676 20.029 749 2HZ LYS 14 HZ2 LYS 14 5.524 4.181 20.044 750 3HZ LYS 14 HZ3 LYS 14 4.427 3.523 21.159 751 H ILE 15 HN ILE 15 4.346 2.956 12.707 752 HA ILE 15 HA ILE 15 1.628 2.352 12.365 753 HB ILE 15 HB ILE 15 3.510 3.674 10.403 754 1HG1 ILE 15 HG12 ILE 15 1.630 4.912 12.424 755 2HG1 ILE 15 HG11 ILE 15 3.369 4.752 12.647 756 1HG2 ILE 15 HG21 ILE 15 0.495 3.717 10.538 757 2HG2 ILE 15 HG22 ILE 15 1.472 2.912 9.309 758 3HG2 ILE 15 HG23 ILE 15 1.486 4.673 9.436 759 1HD1 ILE 15 HD11 ILE 15 2.008 6.358 10.497 760 2HD1 ILE 15 HD12 ILE 15 3.750 6.203 10.726 761 3HD1 ILE 15 HD13 ILE 15 2.766 6.998 11.953 762 H ILE 16 HN ILE 16 4.492 1.317 10.545 763 HA ILE 16 HA ILE 16 3.201 -0.169 8.559 764 HB ILE 16 HB ILE 16 5.872 -0.748 9.859 765 1HG1 ILE 16 HG12 ILE 16 5.273 0.775 7.315 766 2HG1 ILE 16 HG11 ILE 16 5.599 1.541 8.867 767 1HG2 ILE 16 HG21 ILE 16 4.744 -1.668 7.217 768 2HG2 ILE 16 HG22 ILE 16 5.065 -2.674 8.630 769 3HG2 ILE 16 HG23 ILE 16 6.402 -1.918 7.763 770 1HD1 ILE 16 HD11 ILE 16 7.827 0.561 8.889 771 2HD1 ILE 16 HD12 ILE 16 7.566 1.525 7.437 772 3HD1 ILE 16 HD13 ILE 16 7.498 -0.236 7.350 773 H GLN 17 HN GLN 17 4.358 -1.183 11.767 774 HA GLN 17 HA GLN 17 3.558 -3.887 11.499 775 1HB GLN 17 HB2 GLN 17 5.258 -3.208 13.108 776 2HB GLN 17 HB1 GLN 17 4.080 -2.243 13.984 777 1HG GLN 17 HG2 GLN 17 4.544 -4.345 15.116 778 2HG GLN 17 HG1 GLN 17 2.861 -4.254 14.600 779 1HE2 GLN 17 HE21 GLN 17 2.149 -5.587 12.934 780 2HE2 GLN 17 HE22 GLN 17 3.046 -6.976 12.413 781 H ASP 18 HN ASP 18 1.953 -1.032 12.824 782 HA ASP 18 HA ASP 18 -0.244 -2.377 13.982 783 1HB ASP 18 HB2 ASP 18 0.494 0.063 14.308 784 2HB ASP 18 HB1 ASP 18 -0.377 0.402 12.817 785 H LEU 19 HN LEU 19 0.207 -0.890 10.792 786 HA LEU 19 HA LEU 19 -2.284 -1.541 9.684 787 1HB LEU 19 HB2 LEU 19 0.426 -1.286 8.382 788 2HB LEU 19 HB1 LEU 19 -1.075 -1.433 7.490 789 HG LEU 19 HG LEU 19 -0.497 0.822 9.410 790 1HD1 LEU 19 HD11 LEU 19 -0.221 0.739 6.408 791 2HD1 LEU 19 HD12 LEU 19 1.096 0.887 7.571 792 3HD1 LEU 19 HD13 LEU 19 -0.089 2.183 7.413 793 1HD2 LEU 19 HD21 LEU 19 -2.604 0.446 7.285 794 2HD2 LEU 19 HD22 LEU 19 -2.376 1.895 8.264 795 3HD2 LEU 19 HD23 LEU 19 -2.865 0.381 9.026 796 H LEU 20 HN LEU 20 0.781 -3.337 9.670 797 HA LEU 20 HA LEU 20 -0.091 -5.523 8.157 798 1HB LEU 20 HB2 LEU 20 2.053 -5.322 10.262 799 2HB LEU 20 HB1 LEU 20 1.782 -6.765 9.305 800 HG LEU 20 HG LEU 20 2.557 -4.059 8.206 801 1HD1 LEU 20 HD11 LEU 20 4.704 -5.117 7.717 802 2HD1 LEU 20 HD12 LEU 20 4.161 -6.596 8.509 803 3HD1 LEU 20 HD13 LEU 20 4.371 -5.118 9.449 804 1HD2 LEU 20 HD21 LEU 20 2.258 -6.728 6.827 805 2HD2 LEU 20 HD22 LEU 20 2.839 -5.236 6.086 806 3HD2 LEU 20 HD23 LEU 20 1.172 -5.349 6.654 807 H ASP 21 HN ASP 21 -0.307 -4.890 11.621 808 HA ASP 21 HA ASP 21 -1.067 -7.489 12.402 809 1HB ASP 21 HB2 ASP 21 -0.327 -5.745 14.000 810 2HB ASP 21 HB1 ASP 21 -1.839 -4.885 13.721 811 H VAL 22 HN VAL 22 -2.974 -4.657 11.464 812 HA VAL 22 HA VAL 22 -5.519 -5.759 11.855 813 HB VAL 22 HB VAL 22 -4.679 -3.762 9.738 814 1HG1 VAL 22 HG11 VAL 22 -7.408 -4.343 10.888 815 2HG1 VAL 22 HG12 VAL 22 -6.861 -4.751 9.263 816 3HG1 VAL 22 HG13 VAL 22 -7.022 -3.061 9.740 817 1HG2 VAL 22 HG21 VAL 22 -5.745 -3.318 12.524 818 2HG2 VAL 22 HG22 VAL 22 -5.412 -2.059 11.334 819 3HG2 VAL 22 HG23 VAL 22 -4.091 -3.027 11.989 820 H LEU 23 HN LEU 23 -3.352 -5.845 9.066 821 HA LEU 23 HA LEU 23 -5.073 -7.232 7.319 822 1HB LEU 23 HB2 LEU 23 -2.056 -7.163 7.384 823 2HB LEU 23 HB1 LEU 23 -3.023 -7.750 6.046 824 HG LEU 23 HG LEU 23 -2.975 -4.906 7.062 825 1HD1 LEU 23 HD11 LEU 23 -0.917 -5.488 5.934 826 2HD1 LEU 23 HD12 LEU 23 -1.883 -4.424 4.912 827 3HD1 LEU 23 HD13 LEU 23 -1.822 -6.154 4.573 828 1HD2 LEU 23 HD21 LEU 23 -5.161 -5.508 6.173 829 2HD2 LEU 23 HD22 LEU 23 -4.407 -6.123 4.702 830 3HD2 LEU 23 HD23 LEU 23 -4.323 -4.404 5.082 831 H VAL 24 HN VAL 24 -2.576 -8.359 9.574 832 HA VAL 24 HA VAL 24 -2.821 -11.112 8.917 833 HB VAL 24 HB VAL 24 -1.776 -9.828 11.453 834 1HG1 VAL 24 HG11 VAL 24 -0.644 -11.976 11.846 835 2HG1 VAL 24 HG12 VAL 24 -1.487 -12.664 10.457 836 3HG1 VAL 24 HG13 VAL 24 -2.400 -12.139 11.873 837 1HG2 VAL 24 HG21 VAL 24 -0.319 -10.889 9.034 838 2HG2 VAL 24 HG22 VAL 24 0.430 -10.235 10.490 839 3HG2 VAL 24 HG23 VAL 24 -0.534 -9.187 9.447 840 H LYS 25 HN LYS 25 -4.375 -9.038 11.306 841 HA LYS 25 HA LYS 25 -5.721 -10.981 12.788 842 1HB LYS 25 HB2 LYS 25 -5.590 -8.591 13.391 843 2HB LYS 25 HB1 LYS 25 -6.674 -8.204 12.065 844 1HG LYS 25 HG2 LYS 25 -8.475 -9.409 13.118 845 2HG LYS 25 HG1 LYS 25 -7.394 -9.967 14.398 846 1HD LYS 25 HD2 LYS 25 -8.695 -8.119 15.225 847 2HD LYS 25 HD1 LYS 25 -7.016 -7.609 15.050 848 1HE LYS 25 HE2 LYS 25 -8.376 -5.844 14.227 849 2HE LYS 25 HE1 LYS 25 -7.642 -6.628 12.828 850 1HZ LYS 25 HZ1 LYS 25 -9.665 -7.694 12.299 851 2HZ LYS 25 HZ2 LYS 25 -10.082 -6.086 12.658 852 3HZ LYS 25 HZ3 LYS 25 -10.358 -7.308 13.799 853 H GLU 26 HN GLU 26 -6.598 -9.431 9.735 854 HA GLU 26 HA GLU 26 -9.096 -10.892 9.581 855 1HB GLU 26 HB2 GLU 26 -7.746 -9.108 7.547 856 2HB GLU 26 HB1 GLU 26 -9.382 -9.741 7.428 857 1HG GLU 26 HG2 GLU 26 -8.347 -7.805 9.486 858 2HG GLU 26 HG1 GLU 26 -9.445 -7.450 8.155 859 H GLU 27 HN GLU 27 -5.898 -11.545 8.916 860 HA GLU 27 HA GLU 27 -4.736 -13.003 7.629 861 1HB GLU 27 HB2 GLU 27 -7.358 -14.486 7.812 862 2HB GLU 27 HB1 GLU 27 -5.888 -15.180 7.140 863 1HG GLU 27 HG2 GLU 27 -4.764 -14.834 9.299 864 2HG GLU 27 HG1 GLU 27 -6.275 -14.210 9.961 865 H VAL 28 HN VAL 28 -5.459 -10.928 6.192 866 HA VAL 28 HA VAL 28 -7.045 -11.493 3.914 867 HB VAL 28 HB VAL 28 -6.143 -9.427 2.962 868 1HG1 VAL 28 HG11 VAL 28 -7.959 -9.282 4.575 869 2HG1 VAL 28 HG12 VAL 28 -6.892 -7.883 4.707 870 3HG1 VAL 28 HG13 VAL 28 -6.794 -9.183 5.895 871 1HG2 VAL 28 HG21 VAL 28 -4.311 -9.384 5.360 872 2HG2 VAL 28 HG22 VAL 28 -4.481 -8.100 4.162 873 3HG2 VAL 28 HG23 VAL 28 -3.820 -9.665 3.689 874 H THR 29 HN THR 29 -6.515 -12.140 1.894 875 HA THR 29 HA THR 29 -4.045 -13.539 1.478 876 HB THR 29 HB THR 29 -4.958 -13.887 -0.828 877 HG1 THR 29 HG1 THR 29 -7.181 -13.124 -1.124 878 1HG2 THR 29 HG21 THR 29 -5.539 -15.458 0.967 879 2HG2 THR 29 HG22 THR 29 -6.875 -15.266 -0.167 880 3HG2 THR 29 HG23 THR 29 -6.924 -14.455 1.399 881 HA PRO 30 HA PRO 30 -1.571 -10.354 -0.494 882 1HB PRO 30 HB2 PRO 30 -1.473 -12.158 -2.870 883 2HB PRO 30 HB1 PRO 30 -0.151 -11.358 -2.013 884 1HG PRO 30 HG2 PRO 30 -0.598 -13.958 -1.676 885 2HG PRO 30 HG1 PRO 30 -0.129 -12.934 -0.304 886 1HD PRO 30 HD2 PRO 30 -2.803 -14.057 -1.011 887 2HD PRO 30 HD1 PRO 30 -2.074 -13.790 0.585 888 H ASP 31 HN ASP 31 -3.931 -12.013 -2.545 889 HA ASP 31 HA ASP 31 -4.405 -10.002 -4.423 890 1HB ASP 31 HB2 ASP 31 -5.215 -12.217 -4.827 891 2HB ASP 31 HB1 ASP 31 -6.163 -12.209 -3.345 892 H LEU 32 HN LEU 32 -6.193 -10.750 -1.432 893 HA LEU 32 HA LEU 32 -7.990 -8.582 -1.631 894 1HB LEU 32 HB2 LEU 32 -8.430 -10.551 -0.256 895 2HB LEU 32 HB1 LEU 32 -7.077 -10.149 0.782 896 HG LEU 32 HG LEU 32 -8.248 -8.112 1.515 897 1HD1 LEU 32 HD11 LEU 32 -9.562 -7.694 -0.491 898 2HD1 LEU 32 HD12 LEU 32 -10.600 -7.788 0.933 899 3HD1 LEU 32 HD13 LEU 32 -10.514 -9.149 -0.185 900 1HD2 LEU 32 HD21 LEU 32 -8.490 -10.192 2.776 901 2HD2 LEU 32 HD22 LEU 32 -9.889 -10.628 1.794 902 3HD2 LEU 32 HD23 LEU 32 -9.957 -9.218 2.854 903 H ALA 33 HN ALA 33 -4.901 -8.976 0.038 904 HA ALA 33 HA ALA 33 -4.909 -6.570 1.468 905 1HB ALA 33 HB1 ALA 33 -2.519 -8.047 0.377 906 2HB ALA 33 HB2 ALA 33 -3.341 -8.414 1.893 907 3HB ALA 33 HB3 ALA 33 -2.513 -6.869 1.690 908 H LEU 34 HN LEU 34 -3.438 -7.304 -1.704 909 HA LEU 34 HA LEU 34 -2.424 -4.737 -2.172 910 1HB LEU 34 HB2 LEU 34 -3.325 -6.831 -4.147 911 2HB LEU 34 HB1 LEU 34 -2.425 -5.391 -4.577 912 HG LEU 34 HG LEU 34 -1.447 -7.643 -2.816 913 1HD1 LEU 34 HD11 LEU 34 -1.536 -8.201 -5.192 914 2HD1 LEU 34 HD12 LEU 34 0.129 -8.058 -4.625 915 3HD1 LEU 34 HD13 LEU 34 -0.598 -6.757 -5.570 916 1HD2 LEU 34 HD21 LEU 34 -0.575 -5.500 -2.057 917 2HD2 LEU 34 HD22 LEU 34 -0.050 -5.121 -3.697 918 3HD2 LEU 34 HD23 LEU 34 0.693 -6.459 -2.820 919 H MET 35 HN MET 35 -5.595 -6.121 -2.855 920 HA MET 35 HA MET 35 -6.544 -3.965 -4.423 921 1HB MET 35 HB2 MET 35 -7.618 -6.165 -4.453 922 2HB MET 35 HB1 MET 35 -8.090 -5.970 -2.770 923 1HG MET 35 HG2 MET 35 -9.564 -4.165 -3.327 924 2HG MET 35 HG1 MET 35 -9.002 -4.165 -4.997 925 1HE MET 35 HE1 MET 35 -10.842 -6.241 -2.227 926 2HE MET 35 HE2 MET 35 -9.676 -7.408 -2.854 927 3HE MET 35 HE3 MET 35 -11.400 -7.646 -3.138 928 H CYS 36 HN CYS 36 -6.792 -4.680 -0.948 929 HA CYS 36 HA CYS 36 -8.396 -2.390 -0.372 930 1HB CYS 36 HB2 CYS 36 -6.676 -4.025 1.505 931 2HB CYS 36 HB1 CYS 36 -7.954 -2.911 1.976 932 HG CYS 36 HG CYS 36 -8.302 -5.915 0.393 933 H LEU 37 HN LEU 37 -4.939 -3.109 0.034 934 HA LEU 37 HA LEU 37 -4.252 -0.632 1.193 935 1HB LEU 37 HB2 LEU 37 -2.567 -2.607 -0.348 936 2HB LEU 37 HB1 LEU 37 -1.924 -1.247 0.553 937 HG LEU 37 HG LEU 37 -3.523 -3.483 1.804 938 1HD1 LEU 37 HD11 LEU 37 -0.537 -3.084 1.791 939 2HD1 LEU 37 HD12 LEU 37 -1.405 -4.313 0.873 940 3HD1 LEU 37 HD13 LEU 37 -1.424 -4.350 2.635 941 1HD2 LEU 37 HD21 LEU 37 -3.619 -1.408 3.051 942 2HD2 LEU 37 HD22 LEU 37 -1.862 -1.259 2.984 943 3HD2 LEU 37 HD23 LEU 37 -2.602 -2.576 3.897 944 H GLY 38 HN GLY 38 -4.307 -1.753 -2.166 945 1HA GLY 38 HA2 GLY 38 -3.035 0.429 -3.368 946 2HA GLY 38 HA1 GLY 38 -4.228 -0.598 -4.148 947 H ASN 39 HN ASN 39 -6.431 -0.001 -2.472 948 HA ASN 39 HA ASN 39 -7.296 2.438 -3.664 949 1HB ASN 39 HB2 ASN 39 -8.527 0.494 -1.745 950 2HB ASN 39 HB1 ASN 39 -9.278 2.069 -1.987 951 1HD2 ASN 39 HD21 ASN 39 -8.512 -0.999 -3.430 952 2HD2 ASN 39 HD22 ASN 39 -9.514 -0.807 -4.826 953 H ALA 40 HN ALA 40 -6.207 1.523 -0.443 954 HA ALA 40 HA ALA 40 -6.806 3.947 0.863 955 1HB ALA 40 HB1 ALA 40 -5.230 3.218 2.568 956 2HB ALA 40 HB2 ALA 40 -4.580 2.001 1.470 957 3HB ALA 40 HB3 ALA 40 -6.241 1.869 2.051 958 H VAL 41 HN VAL 41 -3.863 2.803 -0.756 959 HA VAL 41 HA VAL 41 -2.294 5.095 -0.341 960 HB VAL 41 HB VAL 41 -2.179 3.149 -2.656 961 1HG1 VAL 41 HG11 VAL 41 -0.088 5.063 -1.628 962 2HG1 VAL 41 HG12 VAL 41 -0.987 5.228 -3.137 963 3HG1 VAL 41 HG13 VAL 41 0.133 3.882 -2.918 964 1HG2 VAL 41 HG21 VAL 41 -1.951 2.055 -0.480 965 2HG2 VAL 41 HG22 VAL 41 -0.657 3.175 -0.052 966 3HG2 VAL 41 HG23 VAL 41 -0.431 2.030 -1.374 967 H THR 42 HN THR 42 -4.333 4.171 -3.110 968 HA THR 42 HA THR 42 -3.941 6.416 -4.708 969 HB THR 42 HB THR 42 -6.465 4.779 -4.396 970 HG1 THR 42 HG1 THR 42 -4.832 3.432 -5.048 971 1HG2 THR 42 HG21 THR 42 -7.022 5.545 -6.644 972 2HG2 THR 42 HG22 THR 42 -5.570 6.545 -6.677 973 3HG2 THR 42 HG23 THR 42 -6.870 6.915 -5.544 974 H ASN 43 HN ASN 43 -6.281 5.867 -2.116 975 HA ASN 43 HA ASN 43 -7.827 8.161 -2.382 976 1HB ASN 43 HB2 ASN 43 -8.398 6.271 -0.903 977 2HB ASN 43 HB1 ASN 43 -7.074 6.712 0.171 978 1HD2 ASN 43 HD21 ASN 43 -8.298 7.141 1.947 979 2HD2 ASN 43 HD22 ASN 43 -9.416 8.461 2.049 980 H ILE 44 HN ILE 44 -4.736 7.694 -0.764 981 HA ILE 44 HA ILE 44 -4.806 10.320 0.432 982 HB ILE 44 HB ILE 44 -2.624 8.234 0.387 983 1HG1 ILE 44 HG12 ILE 44 -4.610 9.053 2.519 984 2HG1 ILE 44 HG11 ILE 44 -4.646 7.555 1.593 985 1HG2 ILE 44 HG21 ILE 44 -1.645 10.435 0.681 986 2HG2 ILE 44 HG22 ILE 44 -1.596 9.547 2.205 987 3HG2 ILE 44 HG23 ILE 44 -2.808 10.807 1.955 988 1HD1 ILE 44 HD11 ILE 44 -3.770 7.247 3.848 989 2HD1 ILE 44 HD12 ILE 44 -2.460 8.370 3.485 990 3HD1 ILE 44 HD13 ILE 44 -2.581 6.843 2.612 991 H ILE 45 HN ILE 45 -3.061 8.736 -2.235 992 HA ILE 45 HA ILE 45 -1.335 10.908 -2.782 993 HB ILE 45 HB ILE 45 -2.330 8.797 -4.705 994 1HG1 ILE 45 HG12 ILE 45 0.190 8.927 -3.035 995 2HG1 ILE 45 HG11 ILE 45 -1.179 7.856 -2.744 996 1HG2 ILE 45 HG21 ILE 45 -0.301 9.343 -5.992 997 2HG2 ILE 45 HG22 ILE 45 0.021 10.675 -4.882 998 3HG2 ILE 45 HG23 ILE 45 -1.424 10.700 -5.893 999 1HD1 ILE 45 HD11 ILE 45 0.621 6.659 -3.811 1000 2HD1 ILE 45 HD12 ILE 45 0.640 7.819 -5.138 1001 3HD1 ILE 45 HD13 ILE 45 -0.759 6.769 -4.904 1002 H ALA 46 HN ALA 46 -4.620 10.182 -3.768 1003 HA ALA 46 HA ALA 46 -4.786 12.185 -5.788 1004 1HB ALA 46 HB1 ALA 46 -7.013 10.875 -4.238 1005 2HB ALA 46 HB2 ALA 46 -6.296 10.259 -5.726 1006 3HB ALA 46 HB3 ALA 46 -7.181 11.784 -5.740 1007 H GLN 47 HN GLN 47 -4.592 12.415 -2.447 1008 HA GLN 47 HA GLN 47 -6.141 14.888 -2.271 1009 1HB GLN 47 HB2 GLN 47 -4.528 13.493 -0.126 1010 2HB GLN 47 HB1 GLN 47 -5.663 14.814 0.113 1011 1HG GLN 47 HG2 GLN 47 -7.502 13.378 -0.560 1012 2HG GLN 47 HG1 GLN 47 -6.374 12.053 -0.858 1013 1HE2 GLN 47 HE21 GLN 47 -7.209 10.675 0.661 1014 2HE2 GLN 47 HE22 GLN 47 -7.127 10.969 2.364 1015 H VAL 48 HN VAL 48 -3.105 14.014 -3.256 1016 HA VAL 48 HA VAL 48 -1.633 16.100 -1.853 1017 HB VAL 48 HB VAL 48 -0.675 14.159 -3.971 1018 1HG1 VAL 48 HG11 VAL 48 0.797 16.071 -3.724 1019 2HG1 VAL 48 HG12 VAL 48 1.557 14.616 -3.078 1020 3HG1 VAL 48 HG13 VAL 48 0.868 15.812 -1.983 1021 1HG2 VAL 48 HG21 VAL 48 -0.568 13.919 -0.973 1022 2HG2 VAL 48 HG22 VAL 48 0.227 12.835 -2.115 1023 3HG2 VAL 48 HG23 VAL 48 -1.534 12.935 -2.072 1024 HA PRO 49 HA PRO 49 -1.960 19.326 -4.991 1025 1HB PRO 49 HB2 PRO 49 1.023 19.175 -4.711 1026 2HB PRO 49 HB1 PRO 49 -0.020 20.599 -4.806 1027 1HG PRO 49 HG2 PRO 49 0.932 19.741 -2.459 1028 2HG PRO 49 HG1 PRO 49 -0.697 20.422 -2.602 1029 1HD PRO 49 HD2 PRO 49 0.138 17.627 -2.149 1030 2HD PRO 49 HD1 PRO 49 -1.402 18.422 -1.767 1031 H GLU 50 HN GLU 50 -2.343 18.819 -7.035 1032 HA GLU 50 HA GLU 50 -1.748 16.447 -8.243 1033 1HB GLU 50 HB2 GLU 50 -3.473 18.157 -8.899 1034 2HB GLU 50 HB1 GLU 50 -2.192 19.014 -9.743 1035 1HG GLU 50 HG2 GLU 50 -1.902 17.253 -11.288 1036 2HG GLU 50 HG1 GLU 50 -2.901 16.156 -10.331 1037 H SER 51 HN SER 51 0.076 19.441 -8.420 1038 HA SER 51 HA SER 51 1.830 18.839 -10.483 1039 1HB SER 51 HB2 SER 51 1.559 21.060 -9.380 1040 2HB SER 51 HB1 SER 51 2.459 20.445 -7.997 1041 HG SER 51 HG SER 51 3.518 20.375 -10.626 1042 H LYS 52 HN LYS 52 1.869 17.670 -7.156 1043 HA LYS 52 HA LYS 52 4.397 16.306 -7.806 1044 1HB LYS 52 HB2 LYS 52 4.974 16.275 -5.440 1045 2HB LYS 52 HB1 LYS 52 4.744 17.920 -6.010 1046 1HG LYS 52 HG2 LYS 52 2.951 18.275 -4.686 1047 2HG LYS 52 HG1 LYS 52 2.386 16.609 -4.817 1048 1HD LYS 52 HD2 LYS 52 3.103 17.079 -2.545 1049 2HD LYS 52 HD1 LYS 52 4.169 15.892 -3.292 1050 1HE LYS 52 HE2 LYS 52 5.786 17.705 -3.770 1051 2HE LYS 52 HE1 LYS 52 4.728 18.834 -2.924 1052 1HZ LYS 52 HZ1 LYS 52 6.147 16.496 -1.765 1053 2HZ LYS 52 HZ2 LYS 52 4.964 17.376 -0.936 1054 3HZ LYS 52 HZ3 LYS 52 6.399 18.136 -1.411 1055 H ARG 53 HN ARG 53 1.103 15.801 -7.112 1056 HA ARG 53 HA ARG 53 1.323 13.387 -5.641 1057 1HB ARG 53 HB2 ARG 53 -0.973 13.075 -5.931 1058 2HB ARG 53 HB1 ARG 53 -0.799 14.822 -6.005 1059 1HG ARG 53 HG2 ARG 53 -1.015 14.811 -8.372 1060 2HG ARG 53 HG1 ARG 53 -0.922 13.060 -8.428 1061 1HD ARG 53 HD2 ARG 53 -3.210 13.781 -8.730 1062 2HD ARG 53 HD1 ARG 53 -3.040 12.916 -7.207 1063 HE ARG 53 HE ARG 53 -2.889 15.286 -6.232 1064 1HH1 ARG 53 HH11 ARG 53 -4.827 14.395 -9.018 1065 2HH1 ARG 53 HH12 ARG 53 -6.026 15.621 -8.734 1066 1HH2 ARG 53 HH21 ARG 53 -4.464 16.881 -5.861 1067 2HH2 ARG 53 HH22 ARG 53 -5.815 17.030 -6.941 1068 H VAL 54 HN VAL 54 1.484 14.131 -9.047 1069 HA VAL 54 HA VAL 54 1.354 11.426 -9.956 1070 HB VAL 54 HB VAL 54 2.563 13.821 -11.357 1071 1HG1 VAL 54 HG11 VAL 54 2.103 12.557 -13.414 1072 2HG1 VAL 54 HG12 VAL 54 1.547 11.194 -12.442 1073 3HG1 VAL 54 HG13 VAL 54 3.232 11.708 -12.359 1074 1HG2 VAL 54 HG21 VAL 54 -0.256 12.752 -11.467 1075 2HG2 VAL 54 HG22 VAL 54 0.390 14.049 -12.471 1076 3HG2 VAL 54 HG23 VAL 54 0.253 14.269 -10.726 1077 H ALA 55 HN ALA 55 3.871 13.590 -8.878 1078 HA ALA 55 HA ALA 55 6.059 11.990 -9.761 1079 1HB ALA 55 HB1 ALA 55 7.442 13.458 -8.405 1080 2HB ALA 55 HB2 ALA 55 6.005 14.122 -7.628 1081 3HB ALA 55 HB3 ALA 55 6.285 14.401 -9.345 1082 H VAL 56 HN VAL 56 4.368 12.405 -6.662 1083 HA VAL 56 HA VAL 56 6.118 10.711 -5.225 1084 HB VAL 56 HB VAL 56 4.451 10.692 -3.436 1085 1HG1 VAL 56 HG11 VAL 56 5.981 12.568 -3.610 1086 2HG1 VAL 56 HG12 VAL 56 4.415 13.097 -2.994 1087 3HG1 VAL 56 HG13 VAL 56 4.853 13.409 -4.673 1088 1HG2 VAL 56 HG21 VAL 56 2.694 12.180 -5.382 1089 2HG2 VAL 56 HG22 VAL 56 2.357 11.957 -3.666 1090 3HG2 VAL 56 HG23 VAL 56 2.412 10.561 -4.742 1091 H VAL 57 HN VAL 57 3.204 10.059 -7.101 1092 HA VAL 57 HA VAL 57 2.984 7.371 -6.118 1093 HB VAL 57 HB VAL 57 0.987 8.470 -7.010 1094 1HG1 VAL 57 HG11 VAL 57 2.011 9.774 -8.798 1095 2HG1 VAL 57 HG12 VAL 57 0.682 8.791 -9.409 1096 3HG1 VAL 57 HG13 VAL 57 2.349 8.294 -9.696 1097 1HG2 VAL 57 HG21 VAL 57 0.186 6.612 -8.424 1098 2HG2 VAL 57 HG22 VAL 57 1.039 6.057 -6.982 1099 3HG2 VAL 57 HG23 VAL 57 1.844 6.024 -8.552 1100 H ASP 58 HN ASP 58 4.564 8.895 -8.904 1101 HA ASP 58 HA ASP 58 5.285 6.430 -10.128 1102 1HB ASP 58 HB2 ASP 58 5.338 8.616 -11.327 1103 2HB ASP 58 HB1 ASP 58 6.740 9.068 -10.361 1104 H ASN 59 HN ASN 59 6.992 8.660 -7.952 1105 HA ASN 59 HA ASN 59 9.302 7.125 -7.572 1106 1HB ASN 59 HB2 ASN 59 7.856 9.082 -5.792 1107 2HB ASN 59 HB1 ASN 59 9.328 8.276 -5.264 1108 1HD2 ASN 59 HD21 ASN 59 10.391 10.254 -5.108 1109 2HD2 ASN 59 HD22 ASN 59 10.919 11.122 -6.516 1110 H PHE 60 HN PHE 60 6.192 7.075 -5.896 1111 HA PHE 60 HA PHE 60 6.701 5.144 -3.961 1112 1HB PHE 60 HB2 PHE 60 4.608 6.517 -4.181 1113 2HB PHE 60 HB1 PHE 60 4.134 5.488 -5.528 1114 HD1 PHE 60 HD1 PHE 60 4.823 5.505 -1.900 1115 HD2 PHE 60 HD2 PHE 60 3.071 3.436 -5.176 1116 HE1 PHE 60 HE1 PHE 60 3.721 3.964 -0.333 1117 HE2 PHE 60 HE2 PHE 60 1.968 1.889 -3.615 1118 HZ PHE 60 HZ PHE 60 2.292 2.156 -1.190 1119 H THR 61 HN THR 61 5.217 4.667 -7.154 1120 HA THR 61 HA THR 61 5.137 1.865 -6.967 1121 HB THR 61 HB THR 61 4.768 1.975 -9.480 1122 HG1 THR 61 HG1 THR 61 4.788 4.784 -8.948 1123 1HG2 THR 61 HG21 THR 61 3.050 3.626 -7.625 1124 2HG2 THR 61 HG22 THR 61 2.903 1.895 -7.952 1125 3HG2 THR 61 HG23 THR 61 2.548 3.071 -9.222 1126 H LYS 62 HN LYS 62 7.523 4.066 -8.367 1127 HA LYS 62 HA LYS 62 9.185 2.123 -9.548 1128 1HB LYS 62 HB2 LYS 62 9.369 4.563 -9.954 1129 2HB LYS 62 HB1 LYS 62 9.978 4.775 -8.318 1130 1HG LYS 62 HG2 LYS 62 11.888 3.285 -8.921 1131 2HG LYS 62 HG1 LYS 62 11.302 3.309 -10.587 1132 1HD LYS 62 HD2 LYS 62 11.527 5.749 -10.628 1133 2HD LYS 62 HD1 LYS 62 12.120 5.720 -8.965 1134 1HE LYS 62 HE2 LYS 62 14.006 4.294 -9.719 1135 2HE LYS 62 HE1 LYS 62 13.432 4.472 -11.377 1136 1HZ LYS 62 HZ1 LYS 62 14.431 6.625 -9.589 1137 2HZ LYS 62 HZ2 LYS 62 13.702 6.911 -11.094 1138 3HZ LYS 62 HZ3 LYS 62 15.159 6.047 -11.009 1139 H ALA 63 HN ALA 63 9.449 3.722 -6.372 1140 HA ALA 63 HA ALA 63 11.688 2.241 -5.511 1141 1HB ALA 63 HB1 ALA 63 11.236 3.151 -3.309 1142 2HB ALA 63 HB2 ALA 63 9.620 3.637 -3.821 1143 3HB ALA 63 HB3 ALA 63 11.040 4.398 -4.541 1144 H LEU 64 HN LEU 64 8.226 1.684 -5.194 1145 HA LEU 64 HA LEU 64 8.401 -0.400 -3.293 1146 1HB LEU 64 HB2 LEU 64 6.353 0.981 -4.109 1147 2HB LEU 64 HB1 LEU 64 6.234 -0.234 -5.367 1148 HG LEU 64 HG LEU 64 6.310 -1.087 -2.495 1149 1HD1 LEU 64 HD11 LEU 64 3.865 -0.139 -3.984 1150 2HD1 LEU 64 HD12 LEU 64 4.616 0.669 -2.607 1151 3HD1 LEU 64 HD13 LEU 64 3.877 -0.920 -2.402 1152 1HD2 LEU 64 HD21 LEU 64 4.995 -2.179 -4.979 1153 2HD2 LEU 64 HD22 LEU 64 4.905 -2.902 -3.374 1154 3HD2 LEU 64 HD23 LEU 64 6.455 -2.804 -4.210 1155 H LYS 65 HN LYS 65 8.240 -0.443 -6.865 1156 HA LYS 65 HA LYS 65 8.430 -3.273 -7.008 1157 1HB LYS 65 HB2 LYS 65 8.800 -1.102 -9.049 1158 2HB LYS 65 HB1 LYS 65 9.147 -2.783 -9.439 1159 1HG LYS 65 HG2 LYS 65 6.803 -3.304 -8.634 1160 2HG LYS 65 HG1 LYS 65 6.526 -1.568 -8.637 1161 1HD LYS 65 HD2 LYS 65 7.461 -3.111 -11.050 1162 2HD LYS 65 HD1 LYS 65 5.764 -2.786 -10.700 1163 1HE LYS 65 HE2 LYS 65 6.322 -0.347 -10.685 1164 2HE LYS 65 HE1 LYS 65 7.940 -0.771 -11.244 1165 1HZ LYS 65 HZ1 LYS 65 6.527 -0.158 -13.091 1166 2HZ LYS 65 HZ2 LYS 65 5.399 -1.352 -12.672 1167 3HZ LYS 65 HZ3 LYS 65 6.938 -1.797 -13.207 1168 H GLN 66 HN GLN 66 10.817 -0.739 -6.735 1169 HA GLN 66 HA GLN 66 13.071 -2.352 -7.379 1170 1HB GLN 66 HB2 GLN 66 12.811 0.100 -5.631 1171 2HB GLN 66 HB1 GLN 66 14.348 -0.665 -6.002 1172 1HG GLN 66 HG2 GLN 66 14.010 -0.217 -8.371 1173 2HG GLN 66 HG1 GLN 66 12.453 0.527 -8.012 1174 1HE2 GLN 66 HE21 GLN 66 15.239 0.910 -5.952 1175 2HE2 GLN 66 HE22 GLN 66 15.522 2.580 -6.311 1176 H SER 67 HN SER 67 11.366 -1.633 -4.377 1177 HA SER 67 HA SER 67 13.119 -3.039 -2.661 1178 1HB SER 67 HB2 SER 67 10.179 -2.455 -2.233 1179 2HB SER 67 HB1 SER 67 11.384 -2.787 -0.989 1180 HG SER 67 HG SER 67 11.049 -0.496 -2.591 1181 H VAL 68 HN VAL 68 10.322 -3.962 -4.542 1182 HA VAL 68 HA VAL 68 10.159 -6.610 -3.427 1183 HB VAL 68 HB VAL 68 8.839 -5.339 -5.829 1184 1HG1 VAL 68 HG11 VAL 68 8.336 -8.061 -4.635 1185 2HG1 VAL 68 HG12 VAL 68 9.041 -7.730 -6.218 1186 3HG1 VAL 68 HG13 VAL 68 7.364 -7.292 -5.889 1187 1HG2 VAL 68 HG21 VAL 68 8.133 -4.459 -3.664 1188 2HG2 VAL 68 HG22 VAL 68 7.763 -6.094 -3.113 1189 3HG2 VAL 68 HG23 VAL 68 6.839 -5.376 -4.433 1190 H LEU 69 HN LEU 69 11.498 -5.105 -6.315 1191 HA LEU 69 HA LEU 69 12.139 -7.324 -7.843 1192 1HB LEU 69 HB2 LEU 69 12.400 -4.861 -8.422 1193 2HB LEU 69 HB1 LEU 69 13.911 -4.905 -7.535 1194 HG LEU 69 HG LEU 69 14.604 -6.785 -9.129 1195 1HD1 LEU 69 HD11 LEU 69 13.482 -6.790 -11.296 1196 2HD1 LEU 69 HD12 LEU 69 12.282 -5.654 -10.680 1197 3HD1 LEU 69 HD13 LEU 69 12.385 -7.278 -10.002 1198 1HD2 LEU 69 HD21 LEU 69 14.162 -4.011 -10.237 1199 2HD2 LEU 69 HD22 LEU 69 15.336 -5.191 -10.818 1200 3HD2 LEU 69 HD23 LEU 69 15.506 -4.502 -9.204 1201 H GLU 70 HN GLU 70 14.203 -5.664 -5.456 1202 HA GLU 70 HA GLU 70 15.587 -8.234 -5.062 1203 1HB GLU 70 HB2 GLU 70 16.763 -5.465 -4.774 1204 2HB GLU 70 HB1 GLU 70 17.596 -6.969 -4.408 1205 1HG GLU 70 HG2 GLU 70 17.223 -7.604 -6.827 1206 2HG GLU 70 HG1 GLU 70 16.728 -5.930 -7.085 1207 H HIS 71 HN HIS 71 13.832 -8.584 -3.499 1208 HA HIS 71 HA HIS 71 14.237 -7.085 -1.014 1209 1HB HIS 71 HB2 HIS 71 11.894 -7.542 -1.969 1210 2HB HIS 71 HB1 HIS 71 12.136 -9.206 -1.438 1211 HD1 HIS 71 HD1 HIS 71 11.946 -9.689 1.074 1212 HD2 HIS 71 HD2 HIS 71 11.679 -5.645 0.125 1213 HE1 HIS 71 HE1 HIS 71 11.204 -8.538 3.188 1214 HE2 HIS 71 HE2 HIS 71 11.282 -6.073 2.644 1215 H HIS 72 HN HIS 72 14.952 -10.069 -2.527 1216 HA HIS 72 HA HIS 72 15.231 -11.558 -0.070 1217 1HB HIS 72 HB2 HIS 72 14.515 -12.560 -2.293 1218 2HB HIS 72 HB1 HIS 72 16.192 -12.395 -2.803 1219 HD1 HIS 72 HD1 HIS 72 17.885 -14.093 -1.897 1220 HD2 HIS 72 HD2 HIS 72 14.063 -14.523 -0.293 1221 HE1 HIS 72 HE1 HIS 72 17.898 -16.290 -0.674 1222 HE2 HIS 72 HE2 HIS 72 15.590 -16.530 0.308 1223 H HIS 73 HN HIS 73 16.714 -10.098 0.919 1224 HA HIS 73 HA HIS 73 19.353 -11.125 0.755 1225 1HB HIS 73 HB2 HIS 73 20.544 -8.982 0.374 1226 2HB HIS 73 HB1 HIS 73 19.655 -9.526 -1.038 1227 HD1 HIS 73 HD1 HIS 73 20.298 -6.589 0.899 1228 HD2 HIS 73 HD2 HIS 73 17.067 -8.069 -1.261 1229 HE1 HIS 73 HE1 HIS 73 18.840 -4.599 0.405 1230 HE2 HIS 73 HE2 HIS 73 17.042 -5.492 -1.119 1231 H HIS 74 HN HIS 74 17.482 -11.245 2.627 1232 HA HIS 74 HA HIS 74 17.226 -11.133 4.862 1233 1HB HIS 74 HB2 HIS 74 19.646 -11.486 4.944 1234 2HB HIS 74 HB1 HIS 74 19.919 -9.753 4.795 1235 HD1 HIS 74 HD1 HIS 74 20.989 -9.278 7.027 1236 HD2 HIS 74 HD2 HIS 74 17.414 -11.399 7.351 1237 HE1 HIS 74 HE1 HIS 74 20.431 -9.322 9.487 1238 HE2 HIS 74 HE2 HIS 74 18.318 -10.692 9.662 1239 H HIS 75 HN HIS 75 18.977 -8.079 4.531 1240 HA HIS 75 HA HIS 75 17.039 -6.176 4.743 1241 1HB HIS 75 HB2 HIS 75 16.157 -7.465 6.695 1242 2HB HIS 75 HB1 HIS 75 17.700 -7.248 7.508 1243 HD1 HIS 75 HD1 HIS 75 17.273 -5.687 9.362 1244 HD2 HIS 75 HD2 HIS 75 15.361 -4.486 5.866 1245 HE1 HIS 75 HE1 HIS 75 16.203 -3.471 9.896 1246 HE2 HIS 75 HE2 HIS 75 14.898 -2.858 7.827 1247 H HIS 76 HN HIS 76 19.987 -7.530 5.791 1248 HA HIS 76 HA HIS 76 21.543 -5.349 4.933 1249 1HB HIS 76 HB2 HIS 76 20.887 -4.393 7.129 1250 2HB HIS 76 HB1 HIS 76 21.495 -5.836 7.930 1251 HD1 HIS 76 HD1 HIS 76 22.607 -2.629 6.382 1252 HD2 HIS 76 HD2 HIS 76 24.309 -6.045 8.045 1253 HE1 HIS 76 HE1 HIS 76 25.034 -2.070 6.757 1254 HE2 HIS 76 HE2 HIS 76 26.070 -4.188 7.657 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -15.696 -26.173 -7.003 2 2H MET 1 HT2 MET 1 -14.629 -27.489 -7.024 3 3H MET 1 HT3 MET 1 -14.312 -26.123 -7.974 4 HA MET 1 HA MET 1 -14.384 -26.166 -5.013 5 1HB MET 1 HB2 MET 1 -12.011 -25.844 -6.865 6 2HB MET 1 HB1 MET 1 -11.969 -25.810 -5.111 7 1HG MET 1 HG2 MET 1 -11.205 -27.922 -5.600 8 2HG MET 1 HG1 MET 1 -12.913 -28.197 -5.261 9 1HE MET 1 HE1 MET 1 -12.069 -30.803 -8.081 10 2HE MET 1 HE2 MET 1 -12.694 -30.587 -6.447 11 3HE MET 1 HE3 MET 1 -10.997 -30.256 -6.792 12 HA PRO 2 HA PRO 2 -15.080 -21.787 -5.380 13 1HB PRO 2 HB2 PRO 2 -13.314 -21.608 -2.996 14 2HB PRO 2 HB1 PRO 2 -14.954 -20.993 -3.231 15 1HG PRO 2 HG2 PRO 2 -14.499 -23.146 -1.719 16 2HG PRO 2 HG1 PRO 2 -15.933 -23.038 -2.757 17 1HD PRO 2 HD2 PRO 2 -13.402 -24.570 -3.167 18 2HD PRO 2 HD1 PRO 2 -15.073 -25.021 -3.569 19 H ILE 3 HN ILE 3 -11.835 -22.477 -4.080 20 HA ILE 3 HA ILE 3 -9.746 -21.888 -4.721 21 HB ILE 3 HB ILE 3 -11.003 -21.291 -7.403 22 1HG1 ILE 3 HG12 ILE 3 -11.255 -23.630 -6.749 23 2HG1 ILE 3 HG11 ILE 3 -10.080 -23.485 -8.050 24 1HG2 ILE 3 HG21 ILE 3 -8.730 -21.420 -8.300 25 2HG2 ILE 3 HG22 ILE 3 -8.095 -21.629 -6.668 26 3HG2 ILE 3 HG23 ILE 3 -8.879 -20.114 -7.122 27 1HD1 ILE 3 HD11 ILE 3 -9.354 -25.086 -6.377 28 2HD1 ILE 3 HD12 ILE 3 -9.440 -23.839 -5.133 29 3HD1 ILE 3 HD13 ILE 3 -8.263 -23.701 -6.439 30 H VAL 4 HN VAL 4 -11.848 -19.547 -6.414 31 HA VAL 4 HA VAL 4 -10.216 -17.399 -5.282 32 HB VAL 4 HB VAL 4 -11.414 -15.932 -6.942 33 1HG1 VAL 4 HG11 VAL 4 -9.174 -16.788 -7.372 34 2HG1 VAL 4 HG12 VAL 4 -10.114 -16.709 -8.864 35 3HG1 VAL 4 HG13 VAL 4 -9.857 -18.260 -8.063 36 1HG2 VAL 4 HG21 VAL 4 -12.397 -18.577 -8.016 37 2HG2 VAL 4 HG22 VAL 4 -12.541 -17.021 -8.831 38 3HG2 VAL 4 HG23 VAL 4 -13.393 -17.302 -7.313 39 H SER 5 HN SER 5 -10.921 -16.385 -3.568 40 HA SER 5 HA SER 5 -13.569 -16.713 -2.569 41 1HB SER 5 HB2 SER 5 -12.706 -14.906 -0.916 42 2HB SER 5 HB1 SER 5 -11.924 -16.488 -0.910 43 HG SER 5 HG SER 5 -10.977 -14.338 -2.487 44 H LYS 6 HN LYS 6 -15.312 -15.535 -2.989 45 HA LYS 6 HA LYS 6 -15.254 -13.483 -4.952 46 1HB LYS 6 HB2 LYS 6 -17.153 -15.034 -4.677 47 2HB LYS 6 HB1 LYS 6 -17.494 -14.330 -3.104 48 1HG LYS 6 HG2 LYS 6 -17.847 -12.134 -4.279 49 2HG LYS 6 HG1 LYS 6 -17.762 -13.025 -5.799 50 1HD LYS 6 HD2 LYS 6 -20.075 -12.747 -5.157 51 2HD LYS 6 HD1 LYS 6 -19.633 -14.451 -5.025 52 1HE LYS 6 HE2 LYS 6 -19.289 -14.152 -2.607 53 2HE LYS 6 HE1 LYS 6 -19.789 -12.469 -2.755 54 1HZ LYS 6 HZ1 LYS 6 -21.603 -13.853 -1.990 55 2HZ LYS 6 HZ2 LYS 6 -21.467 -14.843 -3.362 56 3HZ LYS 6 HZ3 LYS 6 -21.958 -13.228 -3.528 57 H TYR 7 HN TYR 7 -15.250 -13.510 -1.476 58 HA TYR 7 HA TYR 7 -15.228 -11.903 0.133 59 1HB TYR 7 HB2 TYR 7 -14.466 -10.025 -2.121 60 2HB TYR 7 HB1 TYR 7 -14.295 -9.701 -0.402 61 HD1 TYR 7 HD2 TYR 7 -12.880 -11.693 0.838 62 HD2 TYR 7 HD1 TYR 7 -12.548 -10.512 -3.235 63 HE1 TYR 7 HE2 TYR 7 -10.590 -12.593 0.768 64 HE2 TYR 7 HE1 TYR 7 -10.262 -11.405 -3.317 65 HH TYR 7 HH TYR 7 -8.969 -13.391 -0.851 66 H SER 8 HN SER 8 -15.934 -9.227 0.087 67 HA SER 8 HA SER 8 -18.405 -8.901 -1.379 68 1HB SER 8 HB2 SER 8 -19.714 -8.294 0.607 69 2HB SER 8 HB1 SER 8 -19.140 -9.956 0.743 70 HG SER 8 HG SER 8 -18.842 -8.774 2.684 71 H ASN 9 HN ASN 9 -19.064 -6.660 -1.427 72 HA ASN 9 HA ASN 9 -16.971 -4.830 -1.617 73 1HB ASN 9 HB2 ASN 9 -18.897 -3.093 -1.534 74 2HB ASN 9 HB1 ASN 9 -18.854 -4.249 -2.858 75 1HD2 ASN 9 HD21 ASN 9 -21.007 -4.208 -3.293 76 2HD2 ASN 9 HD22 ASN 9 -22.217 -4.815 -2.213 77 H GLU 10 HN GLU 10 -19.142 -5.540 1.052 78 HA GLU 10 HA GLU 10 -18.380 -3.517 2.818 79 1HB GLU 10 HB2 GLU 10 -19.159 -6.372 3.413 80 2HB GLU 10 HB1 GLU 10 -19.054 -5.092 4.612 81 1HG GLU 10 HG2 GLU 10 -20.823 -3.869 3.449 82 2HG GLU 10 HG1 GLU 10 -20.935 -5.176 2.266 83 H ARG 11 HN ARG 11 -17.092 -6.810 2.465 84 HA ARG 11 HA ARG 11 -15.180 -6.740 4.473 85 1HB ARG 11 HB2 ARG 11 -15.879 -8.758 3.192 86 2HB ARG 11 HB1 ARG 11 -14.959 -8.168 1.816 87 1HG ARG 11 HG2 ARG 11 -13.678 -9.841 2.935 88 2HG ARG 11 HG1 ARG 11 -12.910 -8.276 3.211 89 1HD ARG 11 HD2 ARG 11 -13.791 -8.155 5.429 90 2HD ARG 11 HD1 ARG 11 -14.808 -9.571 5.159 91 HE ARG 11 HE ARG 11 -12.178 -10.363 4.738 92 1HH1 ARG 11 HH11 ARG 11 -14.107 -9.144 7.400 93 2HH1 ARG 11 HH12 ARG 11 -13.210 -10.014 8.607 94 1HH2 ARG 11 HH21 ARG 11 -11.011 -11.510 6.325 95 2HH2 ARG 11 HH22 ARG 11 -11.463 -11.351 7.998 96 H VAL 12 HN VAL 12 -14.887 -5.790 1.073 97 HA VAL 12 HA VAL 12 -12.128 -5.241 1.107 98 HB VAL 12 HB VAL 12 -14.229 -3.966 -0.657 99 1HG1 VAL 12 HG11 VAL 12 -12.124 -2.759 -0.720 100 2HG1 VAL 12 HG12 VAL 12 -12.369 -3.635 -2.232 101 3HG1 VAL 12 HG13 VAL 12 -11.250 -4.261 -1.021 102 1HG2 VAL 12 HG21 VAL 12 -13.691 -5.721 -2.269 103 2HG2 VAL 12 HG22 VAL 12 -14.310 -6.408 -0.768 104 3HG2 VAL 12 HG23 VAL 12 -12.581 -6.452 -1.109 105 H GLU 13 HN GLU 13 -14.878 -2.954 1.298 106 HA GLU 13 HA GLU 13 -13.245 -0.693 1.706 107 1HB GLU 13 HB2 GLU 13 -16.142 -1.098 2.446 108 2HB GLU 13 HB1 GLU 13 -15.314 0.450 2.407 109 1HG GLU 13 HG2 GLU 13 -14.864 0.047 -0.020 110 2HG GLU 13 HG1 GLU 13 -15.926 -1.357 0.088 111 H LYS 14 HN LYS 14 -14.648 -3.004 3.929 112 HA LYS 14 HA LYS 14 -14.327 -1.532 6.306 113 1HB LYS 14 HB2 LYS 14 -15.673 -3.641 6.003 114 2HB LYS 14 HB1 LYS 14 -14.163 -4.535 5.998 115 1HG LYS 14 HG2 LYS 14 -14.921 -2.764 8.294 116 2HG LYS 14 HG1 LYS 14 -15.498 -4.426 8.171 117 1HD LYS 14 HD2 LYS 14 -13.195 -5.230 8.100 118 2HD LYS 14 HD1 LYS 14 -12.606 -3.568 8.187 119 1HE LYS 14 HE2 LYS 14 -13.645 -3.306 10.374 120 2HE LYS 14 HE1 LYS 14 -14.275 -4.951 10.284 121 1HZ LYS 14 HZ1 LYS 14 -11.442 -4.103 10.493 122 2HZ LYS 14 HZ2 LYS 14 -11.903 -5.690 10.090 123 3HZ LYS 14 HZ3 LYS 14 -12.340 -5.032 11.594 124 H ILE 15 HN ILE 15 -12.202 -3.921 4.732 125 HA ILE 15 HA ILE 15 -10.141 -3.811 6.640 126 HB ILE 15 HB ILE 15 -9.965 -4.476 3.693 127 1HG1 ILE 15 HG12 ILE 15 -10.211 -6.281 6.111 128 2HG1 ILE 15 HG11 ILE 15 -11.526 -5.893 5.008 129 1HG2 ILE 15 HG21 ILE 15 -7.892 -5.645 4.267 130 2HG2 ILE 15 HG22 ILE 15 -8.022 -5.061 5.927 131 3HG2 ILE 15 HG23 ILE 15 -7.775 -3.919 4.606 132 1HD1 ILE 15 HD11 ILE 15 -8.991 -7.342 4.282 133 2HD1 ILE 15 HD12 ILE 15 -10.323 -6.972 3.188 134 3HD1 ILE 15 HD13 ILE 15 -10.573 -8.081 4.537 135 H ILE 16 HN ILE 16 -10.671 -2.000 3.645 136 HA ILE 16 HA ILE 16 -8.329 -0.468 3.683 137 HB ILE 16 HB ILE 16 -11.054 0.347 2.666 138 1HG1 ILE 16 HG12 ILE 16 -8.756 -0.897 1.144 139 2HG1 ILE 16 HG11 ILE 16 -10.143 -1.805 1.739 140 1HG2 ILE 16 HG21 ILE 16 -8.313 1.395 1.975 141 2HG2 ILE 16 HG22 ILE 16 -9.546 2.243 2.910 142 3HG2 ILE 16 HG23 ILE 16 -9.826 1.878 1.207 143 1HD1 ILE 16 HD11 ILE 16 -10.235 0.449 -0.250 144 2HD1 ILE 16 HD12 ILE 16 -11.622 -0.468 0.338 145 3HD1 ILE 16 HD13 ILE 16 -10.374 -1.270 -0.617 146 H GLN 17 HN GLN 17 -11.548 0.206 5.044 147 HA GLN 17 HA GLN 17 -10.975 2.744 6.080 148 1HB GLN 17 HB2 GLN 17 -13.249 1.930 5.845 149 2HB GLN 17 HB1 GLN 17 -12.954 0.670 7.033 150 1HG GLN 17 HG2 GLN 17 -14.227 2.461 8.016 151 2HG GLN 17 HG1 GLN 17 -12.630 2.381 8.755 152 1HE2 GLN 17 HE21 GLN 17 -11.143 4.031 8.353 153 2HE2 GLN 17 HE22 GLN 17 -11.627 5.561 7.687 154 H ASP 18 HN ASP 18 -10.600 -0.468 7.514 155 HA ASP 18 HA ASP 18 -9.939 0.400 10.119 156 1HB ASP 18 HB2 ASP 18 -10.416 -2.022 9.013 157 2HB ASP 18 HB1 ASP 18 -8.661 -2.079 9.112 158 H LEU 19 HN LEU 19 -7.961 -0.378 7.286 159 HA LEU 19 HA LEU 19 -5.436 0.151 8.410 160 1HB LEU 19 HB2 LEU 19 -6.383 0.458 5.555 161 2HB LEU 19 HB1 LEU 19 -4.705 0.495 6.058 162 HG LEU 19 HG LEU 19 -6.524 -1.888 6.425 163 1HD1 LEU 19 HD11 LEU 19 -5.323 -2.879 4.548 164 2HD1 LEU 19 HD12 LEU 19 -4.424 -1.380 4.318 165 3HD1 LEU 19 HD13 LEU 19 -6.167 -1.412 4.051 166 1HD2 LEU 19 HD21 LEU 19 -3.536 -1.569 6.691 167 2HD2 LEU 19 HD22 LEU 19 -4.427 -3.083 6.839 168 3HD2 LEU 19 HD23 LEU 19 -4.679 -1.793 8.016 169 H LEU 20 HN LEU 20 -7.714 2.229 6.659 170 HA LEU 20 HA LEU 20 -6.193 4.582 6.659 171 1HB LEU 20 HB2 LEU 20 -9.191 4.238 6.757 172 2HB LEU 20 HB1 LEU 20 -8.373 5.751 6.415 173 HG LEU 20 HG LEU 20 -8.163 3.265 4.715 174 1HD1 LEU 20 HD11 LEU 20 -9.738 5.796 4.278 175 2HD1 LEU 20 HD12 LEU 20 -10.411 4.211 4.657 176 3HD1 LEU 20 HD13 LEU 20 -9.571 4.469 3.129 177 1HD2 LEU 20 HD21 LEU 20 -7.122 4.772 3.087 178 2HD2 LEU 20 HD22 LEU 20 -6.187 4.680 4.580 179 3HD2 LEU 20 HD23 LEU 20 -7.200 6.088 4.259 180 H ASP 21 HN ASP 21 -8.393 3.231 9.057 181 HA ASP 21 HA ASP 21 -8.547 5.373 10.835 182 1HB ASP 21 HB2 ASP 21 -9.914 3.342 11.046 183 2HB ASP 21 HB1 ASP 21 -8.476 2.424 11.471 184 H VAL 22 HN VAL 22 -6.203 2.714 10.684 185 HA VAL 22 HA VAL 22 -4.623 3.437 12.869 186 HB VAL 22 HB VAL 22 -3.718 2.153 10.283 187 1HG1 VAL 22 HG11 VAL 22 -1.872 1.237 11.639 188 2HG1 VAL 22 HG12 VAL 22 -2.412 2.220 13.000 189 3HG1 VAL 22 HG13 VAL 22 -1.823 2.996 11.531 190 1HG2 VAL 22 HG21 VAL 22 -4.653 0.922 12.873 191 2HG2 VAL 22 HG22 VAL 22 -3.992 0.036 11.496 192 3HG2 VAL 22 HG23 VAL 22 -5.516 0.907 11.334 193 H LEU 23 HN LEU 23 -4.437 4.434 9.484 194 HA LEU 23 HA LEU 23 -2.123 6.031 9.721 195 1HB LEU 23 HB2 LEU 23 -4.397 6.193 7.744 196 2HB LEU 23 HB1 LEU 23 -2.869 7.037 7.582 197 HG LEU 23 HG LEU 23 -3.183 4.034 7.633 198 1HD1 LEU 23 HD11 LEU 23 -2.646 4.150 5.245 199 2HD1 LEU 23 HD12 LEU 23 -2.682 5.912 5.326 200 3HD1 LEU 23 HD13 LEU 23 -4.153 4.985 5.620 201 1HD2 LEU 23 HD21 LEU 23 -0.849 4.003 6.930 202 2HD2 LEU 23 HD22 LEU 23 -1.025 4.804 8.492 203 3HD2 LEU 23 HD23 LEU 23 -0.784 5.763 7.031 204 H VAL 24 HN VAL 24 -5.577 6.891 9.752 205 HA VAL 24 HA VAL 24 -5.158 9.665 10.099 206 HB VAL 24 HB VAL 24 -7.578 8.023 10.871 207 1HG1 VAL 24 HG11 VAL 24 -7.583 10.202 11.951 208 2HG1 VAL 24 HG12 VAL 24 -8.810 10.136 10.684 209 3HG1 VAL 24 HG13 VAL 24 -7.292 10.988 10.398 210 1HG2 VAL 24 HG21 VAL 24 -8.485 8.719 8.706 211 2HG2 VAL 24 HG22 VAL 24 -7.011 7.770 8.514 212 3HG2 VAL 24 HG23 VAL 24 -6.963 9.522 8.328 213 H LYS 25 HN LYS 25 -5.585 6.997 12.385 214 HA LYS 25 HA LYS 25 -5.755 8.610 14.709 215 1HB LYS 25 HB2 LYS 25 -6.347 6.131 14.406 216 2HB LYS 25 HB1 LYS 25 -4.637 5.814 14.652 217 1HG LYS 25 HG2 LYS 25 -4.727 6.762 16.861 218 2HG LYS 25 HG1 LYS 25 -6.403 7.261 16.613 219 1HD LYS 25 HD2 LYS 25 -6.965 4.839 16.263 220 2HD LYS 25 HD1 LYS 25 -5.325 4.454 16.786 221 1HE LYS 25 HE2 LYS 25 -5.728 5.435 18.943 222 2HE LYS 25 HE1 LYS 25 -7.312 6.013 18.427 223 1HZ LYS 25 HZ1 LYS 25 -6.456 3.213 18.894 224 2HZ LYS 25 HZ2 LYS 25 -7.867 3.598 18.038 225 3HZ LYS 25 HZ3 LYS 25 -7.705 4.071 19.660 226 H GLU 26 HN GLU 26 -3.117 7.988 12.679 227 HA GLU 26 HA GLU 26 -1.180 8.657 14.779 228 1HB GLU 26 HB2 GLU 26 -0.809 7.737 11.927 229 2HB GLU 26 HB1 GLU 26 0.515 8.219 12.976 230 1HG GLU 26 HG2 GLU 26 -1.385 5.960 13.553 231 2HG GLU 26 HG1 GLU 26 0.204 5.776 12.812 232 H GLU 27 HN GLU 27 -3.149 10.192 12.621 233 HA GLU 27 HA GLU 27 -3.180 12.152 11.475 234 1HB GLU 27 HB2 GLU 27 -1.193 12.870 13.635 235 2HB GLU 27 HB1 GLU 27 -1.789 14.033 12.463 236 1HG GLU 27 HG2 GLU 27 -3.120 14.398 14.314 237 2HG GLU 27 HG1 GLU 27 -4.123 13.371 13.291 238 H VAL 28 HN VAL 28 -1.607 10.193 10.316 239 HA VAL 28 HA VAL 28 1.026 11.005 9.712 240 HB VAL 28 HB VAL 28 0.971 9.381 7.887 241 1HG1 VAL 28 HG11 VAL 28 -0.350 8.392 10.408 242 2HG1 VAL 28 HG12 VAL 28 1.382 8.556 10.123 243 3HG1 VAL 28 HG13 VAL 28 0.445 7.375 9.208 244 1HG2 VAL 28 HG21 VAL 28 -1.964 9.085 8.518 245 2HG2 VAL 28 HG22 VAL 28 -1.041 8.088 7.393 246 3HG2 VAL 28 HG23 VAL 28 -1.284 9.802 7.056 247 H THR 29 HN THR 29 1.896 12.097 7.998 248 HA THR 29 HA THR 29 0.157 13.781 6.426 249 HB THR 29 HB THR 29 2.338 14.524 5.380 250 HG1 THR 29 HG1 THR 29 4.042 13.678 7.189 251 1HG2 THR 29 HG21 THR 29 2.157 14.679 8.391 252 2HG2 THR 29 HG22 THR 29 1.351 15.754 7.248 253 3HG2 THR 29 HG23 THR 29 3.111 15.748 7.363 254 HA PRO 30 HA PRO 30 -0.270 11.303 2.783 255 1HB PRO 30 HB2 PRO 30 0.803 13.017 0.857 256 2HB PRO 30 HB1 PRO 30 -0.879 12.979 1.390 257 1HG PRO 30 HG2 PRO 30 1.336 14.794 2.217 258 2HG PRO 30 HG1 PRO 30 -0.388 15.149 1.999 259 1HD PRO 30 HD2 PRO 30 0.682 14.876 4.437 260 2HD PRO 30 HD1 PRO 30 -0.954 14.281 4.078 261 H ASP 31 HN ASP 31 2.806 13.086 2.881 262 HA ASP 31 HA ASP 31 4.266 11.284 1.266 263 1HB ASP 31 HB2 ASP 31 5.347 13.158 3.387 264 2HB ASP 31 HB1 ASP 31 6.244 12.479 2.032 265 H LEU 32 HN LEU 32 3.905 11.609 4.776 266 HA LEU 32 HA LEU 32 5.670 9.561 5.535 267 1HB LEU 32 HB2 LEU 32 4.875 11.161 7.151 268 2HB LEU 32 HB1 LEU 32 3.214 10.677 6.883 269 HG LEU 32 HG LEU 32 3.723 8.463 7.874 270 1HD1 LEU 32 HD11 LEU 32 5.811 8.167 9.109 271 2HD1 LEU 32 HD12 LEU 32 6.398 9.710 8.486 272 3HD1 LEU 32 HD13 LEU 32 6.102 8.367 7.382 273 1HD2 LEU 32 HD21 LEU 32 3.894 9.254 10.188 274 2HD2 LEU 32 HD22 LEU 32 2.770 10.229 9.241 275 3HD2 LEU 32 HD23 LEU 32 4.382 10.845 9.602 276 H ALA 33 HN ALA 33 2.190 9.534 4.861 277 HA ALA 33 HA ALA 33 1.677 6.882 5.582 278 1HB ALA 33 HB1 ALA 33 -0.324 7.057 4.223 279 2HB ALA 33 HB2 ALA 33 0.324 8.491 3.425 280 3HB ALA 33 HB3 ALA 33 -0.072 8.541 5.142 281 H LEU 34 HN LEU 34 2.706 8.258 2.489 282 HA LEU 34 HA LEU 34 2.585 5.900 0.980 283 1HB LEU 34 HB2 LEU 34 4.410 8.282 0.683 284 2HB LEU 34 HB1 LEU 34 4.220 7.019 -0.519 285 HG LEU 34 HG LEU 34 2.072 8.927 0.407 286 1HD1 LEU 34 HD11 LEU 34 2.213 9.808 -1.863 287 2HD1 LEU 34 HD12 LEU 34 3.534 8.694 -2.216 288 3HD1 LEU 34 HD13 LEU 34 3.752 9.968 -1.016 289 1HD2 LEU 34 HD21 LEU 34 1.970 6.750 -1.679 290 2HD2 LEU 34 HD22 LEU 34 0.698 7.927 -1.351 291 3HD2 LEU 34 HD23 LEU 34 1.137 6.740 -0.123 292 H MET 35 HN MET 35 5.160 7.251 2.991 293 HA MET 35 HA MET 35 7.138 5.368 2.275 294 1HB MET 35 HB2 MET 35 7.680 7.487 3.381 295 2HB MET 35 HB1 MET 35 6.833 6.964 4.829 296 1HG MET 35 HG2 MET 35 8.445 5.258 5.247 297 2HG MET 35 HG1 MET 35 9.218 5.526 3.687 298 1HE MET 35 HE1 MET 35 8.499 7.085 7.250 299 2HE MET 35 HE2 MET 35 7.887 8.298 6.124 300 3HE MET 35 HE3 MET 35 9.317 8.641 7.098 301 H CYS 36 HN CYS 36 4.714 5.406 4.864 302 HA CYS 36 HA CYS 36 5.546 2.947 6.031 303 1HB CYS 36 HB2 CYS 36 2.887 4.379 6.158 304 2HB CYS 36 HB1 CYS 36 3.337 3.007 7.166 305 HG CYS 36 HG CYS 36 4.844 4.281 8.879 306 H LEU 37 HN LEU 37 2.914 3.779 3.787 307 HA LEU 37 HA LEU 37 1.856 1.191 3.537 308 1HB LEU 37 HB2 LEU 37 1.808 3.523 1.622 309 2HB LEU 37 HB1 LEU 37 0.876 2.056 1.396 310 HG LEU 37 HG LEU 37 0.593 3.888 3.780 311 1HD1 LEU 37 HD11 LEU 37 -0.085 5.023 1.728 312 2HD1 LEU 37 HD12 LEU 37 -1.474 4.651 2.746 313 3HD1 LEU 37 HD13 LEU 37 -1.137 3.669 1.322 314 1HD2 LEU 37 HD21 LEU 37 -1.488 2.632 4.146 315 2HD2 LEU 37 HD22 LEU 37 -0.063 1.597 4.239 316 3HD2 LEU 37 HD23 LEU 37 -1.076 1.577 2.795 317 H GLY 38 HN GLY 38 4.369 2.861 1.682 318 1HA GLY 38 HA2 GLY 38 4.691 1.016 -0.384 319 2HA GLY 38 HA1 GLY 38 5.960 2.063 0.231 320 H ASN 39 HN ASN 39 6.144 1.034 2.844 321 HA ASN 39 HA ASN 39 7.719 -1.306 2.310 322 1HB ASN 39 HB2 ASN 39 7.121 0.265 4.802 323 2HB ASN 39 HB1 ASN 39 7.974 -1.271 4.881 324 1HD2 ASN 39 HD21 ASN 39 8.142 2.061 3.962 325 2HD2 ASN 39 HD22 ASN 39 9.835 2.086 3.603 326 H ALA 40 HN ALA 40 4.604 -0.618 3.776 327 HA ALA 40 HA ALA 40 4.106 -3.152 4.885 328 1HB ALA 40 HB1 ALA 40 2.775 -1.162 5.417 329 2HB ALA 40 HB2 ALA 40 1.760 -2.507 4.899 330 3HB ALA 40 HB3 ALA 40 2.101 -1.180 3.788 331 H VAL 41 HN VAL 41 3.301 -1.810 1.693 332 HA VAL 41 HA VAL 41 2.033 -4.080 0.645 333 HB VAL 41 HB VAL 41 3.667 -2.028 -0.870 334 1HG1 VAL 41 HG11 VAL 41 1.535 -3.930 -1.842 335 2HG1 VAL 41 HG12 VAL 41 3.260 -4.039 -2.186 336 3HG1 VAL 41 HG13 VAL 41 2.322 -2.680 -2.806 337 1HG2 VAL 41 HG21 VAL 41 1.890 -0.982 0.427 338 2HG2 VAL 41 HG22 VAL 41 0.712 -2.092 -0.275 339 3HG2 VAL 41 HG23 VAL 41 1.533 -0.914 -1.300 340 H THR 42 HN THR 42 5.422 -3.029 0.367 341 HA THR 42 HA THR 42 6.345 -5.189 -1.142 342 HB THR 42 HB THR 42 7.910 -3.562 0.869 343 HG1 THR 42 HG1 THR 42 7.119 -2.086 -0.544 344 1HG2 THR 42 HG21 THR 42 9.842 -4.100 -0.526 345 2HG2 THR 42 HG22 THR 42 8.821 -5.073 -1.585 346 3HG2 THR 42 HG23 THR 42 9.088 -5.571 0.085 347 H ASN 43 HN ASN 43 5.914 -4.801 2.316 348 HA ASN 43 HA ASN 43 7.495 -6.928 3.205 349 1HB ASN 43 HB2 ASN 43 6.640 -5.184 4.699 350 2HB ASN 43 HB1 ASN 43 4.999 -5.776 4.467 351 1HD2 ASN 43 HD21 ASN 43 4.322 -7.580 5.565 352 2HD2 ASN 43 HD22 ASN 43 5.263 -8.351 6.795 353 H ILE 44 HN ILE 44 4.124 -6.878 2.096 354 HA ILE 44 HA ILE 44 3.875 -9.698 2.768 355 HB ILE 44 HB ILE 44 1.960 -8.087 3.112 356 1HG1 ILE 44 HG12 ILE 44 1.366 -10.457 1.328 357 2HG1 ILE 44 HG11 ILE 44 1.754 -10.581 3.041 358 1HG2 ILE 44 HG21 ILE 44 0.513 -7.637 1.151 359 2HG2 ILE 44 HG22 ILE 44 1.780 -8.281 0.105 360 3HG2 ILE 44 HG23 ILE 44 2.075 -6.823 1.054 361 1HD1 ILE 44 HD11 ILE 44 -0.638 -10.730 2.658 362 2HD1 ILE 44 HD12 ILE 44 -0.620 -9.157 1.862 363 3HD1 ILE 44 HD13 ILE 44 -0.239 -9.280 3.579 364 H ILE 45 HN ILE 45 4.521 -7.711 -0.022 365 HA ILE 45 HA ILE 45 3.998 -9.646 -2.022 366 HB ILE 45 HB ILE 45 5.974 -7.354 -2.010 367 1HG1 ILE 45 HG12 ILE 45 3.215 -7.662 -3.221 368 2HG1 ILE 45 HG11 ILE 45 3.644 -6.652 -1.843 369 1HG2 ILE 45 HG21 ILE 45 6.065 -7.609 -4.446 370 2HG2 ILE 45 HG22 ILE 45 5.067 -9.058 -4.330 371 3HG2 ILE 45 HG23 ILE 45 6.681 -9.040 -3.620 372 1HD1 ILE 45 HD11 ILE 45 4.608 -6.286 -4.670 373 2HD1 ILE 45 HD12 ILE 45 5.054 -5.280 -3.293 374 3HD1 ILE 45 HD13 ILE 45 3.381 -5.322 -3.850 375 H ALA 46 HN ALA 46 6.716 -9.077 0.108 376 HA ALA 46 HA ALA 46 8.504 -10.901 -1.148 377 1HB ALA 46 HB1 ALA 46 9.265 -9.129 0.373 378 2HB ALA 46 HB2 ALA 46 9.828 -10.722 0.880 379 3HB ALA 46 HB3 ALA 46 8.475 -9.956 1.715 380 H GLN 47 HN GLN 47 5.741 -11.325 0.789 381 HA GLN 47 HA GLN 47 6.484 -13.955 1.764 382 1HB GLN 47 HB2 GLN 47 3.820 -12.515 1.873 383 2HB GLN 47 HB1 GLN 47 4.250 -13.967 2.768 384 1HG GLN 47 HG2 GLN 47 5.873 -12.764 4.054 385 2HG GLN 47 HG1 GLN 47 5.645 -11.321 3.072 386 1HE2 GLN 47 HE21 GLN 47 5.060 -10.041 4.773 387 2HE2 GLN 47 HE22 GLN 47 3.561 -10.217 5.627 388 H VAL 48 HN VAL 48 5.133 -12.541 -0.986 389 HA VAL 48 HA VAL 48 3.621 -14.853 -1.868 390 HB VAL 48 HB VAL 48 4.338 -12.347 -3.407 391 1HG1 VAL 48 HG11 VAL 48 2.124 -14.348 -3.809 392 2HG1 VAL 48 HG12 VAL 48 3.561 -14.163 -4.814 393 3HG1 VAL 48 HG13 VAL 48 2.361 -12.872 -4.744 394 1HG2 VAL 48 HG21 VAL 48 2.119 -11.497 -2.750 395 2HG2 VAL 48 HG22 VAL 48 3.210 -11.693 -1.376 396 3HG2 VAL 48 HG23 VAL 48 1.933 -12.877 -1.668 397 HA PRO 49 HA PRO 49 7.111 -16.848 -3.799 398 1HB PRO 49 HB2 PRO 49 5.743 -18.178 -5.785 399 2HB PRO 49 HB1 PRO 49 5.892 -18.742 -4.119 400 1HG PRO 49 HG2 PRO 49 3.634 -17.290 -5.432 401 2HG PRO 49 HG1 PRO 49 3.582 -18.630 -4.271 402 1HD PRO 49 HD2 PRO 49 3.109 -16.096 -3.523 403 2HD PRO 49 HD1 PRO 49 3.952 -17.236 -2.461 404 H GLU 50 HN GLU 50 8.445 -16.606 -5.561 405 HA GLU 50 HA GLU 50 8.431 -14.177 -6.878 406 1HB GLU 50 HB2 GLU 50 9.890 -16.733 -7.511 407 2HB GLU 50 HB1 GLU 50 10.194 -15.222 -8.356 408 1HG GLU 50 HG2 GLU 50 10.280 -15.016 -5.442 409 2HG GLU 50 HG1 GLU 50 11.512 -16.068 -6.139 410 H SER 51 HN SER 51 7.099 -17.237 -7.895 411 HA SER 51 HA SER 51 6.853 -16.949 -10.607 412 1HB SER 51 HB2 SER 51 6.200 -18.950 -9.271 413 2HB SER 51 HB1 SER 51 4.733 -18.102 -8.785 414 HG SER 51 HG SER 51 3.868 -18.612 -10.618 415 H LYS 52 HN LYS 52 4.884 -15.397 -8.120 416 HA LYS 52 HA LYS 52 3.699 -13.785 -10.277 417 1HB LYS 52 HB2 LYS 52 1.633 -13.552 -8.940 418 2HB LYS 52 HB1 LYS 52 1.935 -15.208 -9.442 419 1HG LYS 52 HG2 LYS 52 2.359 -15.926 -7.308 420 2HG LYS 52 HG1 LYS 52 2.868 -14.329 -6.755 421 1HD LYS 52 HD2 LYS 52 0.721 -14.941 -5.783 422 2HD LYS 52 HD1 LYS 52 0.552 -13.551 -6.856 423 1HE LYS 52 HE2 LYS 52 -1.264 -14.854 -7.455 424 2HE LYS 52 HE1 LYS 52 -0.059 -15.328 -8.648 425 1HZ LYS 52 HZ1 LYS 52 0.487 -17.215 -7.091 426 2HZ LYS 52 HZ2 LYS 52 -1.017 -17.302 -7.864 427 3HZ LYS 52 HZ3 LYS 52 -0.928 -16.818 -6.242 428 H ARG 53 HN ARG 53 5.809 -13.697 -7.811 429 HA ARG 53 HA ARG 53 5.038 -11.485 -6.251 430 1HB ARG 53 HB2 ARG 53 6.830 -12.995 -5.580 431 2HB ARG 53 HB1 ARG 53 7.791 -12.504 -6.966 432 1HG ARG 53 HG2 ARG 53 7.966 -10.249 -6.060 433 2HG ARG 53 HG1 ARG 53 7.000 -10.736 -4.665 434 1HD ARG 53 HD2 ARG 53 9.601 -12.040 -5.441 435 2HD ARG 53 HD1 ARG 53 9.483 -10.711 -4.292 436 HE ARG 53 HE ARG 53 7.759 -12.509 -3.269 437 1HH1 ARG 53 HH11 ARG 53 11.029 -12.930 -4.467 438 2HH1 ARG 53 HH12 ARG 53 11.438 -14.112 -3.254 439 1HH2 ARG 53 HH21 ARG 53 8.316 -14.101 -1.716 440 2HH2 ARG 53 HH22 ARG 53 9.920 -14.776 -1.715 441 H VAL 54 HN VAL 54 7.036 -11.659 -9.190 442 HA VAL 54 HA VAL 54 7.442 -8.832 -9.297 443 HB VAL 54 HB VAL 54 7.730 -10.846 -11.536 444 1HG1 VAL 54 HG11 VAL 54 7.638 -8.567 -12.353 445 2HG1 VAL 54 HG12 VAL 54 9.279 -9.197 -12.498 446 3HG1 VAL 54 HG13 VAL 54 8.874 -8.077 -11.195 447 1HG2 VAL 54 HG21 VAL 54 9.798 -9.836 -9.582 448 2HG2 VAL 54 HG22 VAL 54 10.093 -10.926 -10.939 449 3HG2 VAL 54 HG23 VAL 54 9.085 -11.450 -9.588 450 H ALA 55 HN ALA 55 5.044 -11.037 -10.496 451 HA ALA 55 HA ALA 55 3.874 -9.309 -12.420 452 1HB ALA 55 HB1 ALA 55 3.582 -11.742 -12.481 453 2HB ALA 55 HB2 ALA 55 2.033 -10.900 -12.452 454 3HB ALA 55 HB3 ALA 55 2.651 -11.665 -10.986 455 H VAL 56 HN VAL 56 3.096 -10.078 -9.035 456 HA VAL 56 HA VAL 56 0.706 -8.584 -8.972 457 HB VAL 56 HB VAL 56 0.877 -8.705 -6.499 458 1HG1 VAL 56 HG11 VAL 56 -0.174 -10.498 -7.751 459 2HG1 VAL 56 HG12 VAL 56 0.683 -11.141 -6.350 460 3HG1 VAL 56 HG13 VAL 56 1.387 -11.290 -7.960 461 1HG2 VAL 56 HG21 VAL 56 3.281 -8.550 -6.225 462 2HG2 VAL 56 HG22 VAL 56 3.493 -10.097 -7.046 463 3HG2 VAL 56 HG23 VAL 56 2.675 -10.030 -5.484 464 H VAL 57 HN VAL 57 4.052 -7.682 -8.250 465 HA VAL 57 HA VAL 57 3.307 -5.134 -7.191 466 HB VAL 57 HB VAL 57 5.429 -6.150 -6.524 467 1HG1 VAL 57 HG11 VAL 57 6.042 -7.255 -8.597 468 2HG1 VAL 57 HG12 VAL 57 7.347 -6.209 -8.039 469 3HG1 VAL 57 HG13 VAL 57 6.311 -5.691 -9.369 470 1HG2 VAL 57 HG21 VAL 57 6.867 -4.177 -6.776 471 2HG2 VAL 57 HG22 VAL 57 5.210 -3.742 -6.353 472 3HG2 VAL 57 HG23 VAL 57 5.778 -3.552 -8.013 473 H ASP 58 HN ASP 58 4.179 -6.334 -10.389 474 HA ASP 58 HA ASP 58 4.413 -3.763 -11.583 475 1HB ASP 58 HB2 ASP 58 4.131 -6.540 -12.641 476 2HB ASP 58 HB1 ASP 58 3.826 -5.189 -13.729 477 H ASN 59 HN ASN 59 1.729 -6.080 -11.338 478 HA ASN 59 HA ASN 59 -0.107 -4.441 -12.751 479 1HB ASN 59 HB2 ASN 59 -0.541 -6.705 -10.800 480 2HB ASN 59 HB1 ASN 59 -1.862 -5.883 -11.622 481 1HD2 ASN 59 HD21 ASN 59 -1.145 -8.654 -11.793 482 2HD2 ASN 59 HD22 ASN 59 -0.752 -8.966 -13.452 483 H PHE 60 HN PHE 60 0.788 -4.711 -9.360 484 HA PHE 60 HA PHE 60 -1.210 -3.072 -8.256 485 1HB PHE 60 HB2 PHE 60 0.425 -4.500 -6.974 486 2HB PHE 60 HB1 PHE 60 1.661 -3.293 -7.321 487 HD1 PHE 60 HD2 PHE 60 -1.683 -3.674 -5.743 488 HD2 PHE 60 HD1 PHE 60 1.985 -1.523 -5.874 489 HE1 PHE 60 HE2 PHE 60 -2.350 -2.420 -3.735 490 HE2 PHE 60 HE1 PHE 60 1.326 -0.268 -3.864 491 HZ PHE 60 HZ PHE 60 -0.846 -0.716 -2.794 492 H THR 61 HN THR 61 2.064 -2.292 -9.377 493 HA THR 61 HA THR 61 1.895 0.469 -8.844 494 HB THR 61 HB THR 61 3.863 0.614 -10.453 495 HG1 THR 61 HG1 THR 61 3.792 -2.224 -10.334 496 1HG2 THR 61 HG21 THR 61 4.005 -1.368 -8.178 497 2HG2 THR 61 HG22 THR 61 4.191 0.383 -8.049 498 3HG2 THR 61 HG23 THR 61 5.390 -0.573 -8.924 499 H LYS 62 HN LYS 62 1.211 -1.449 -11.730 500 HA LYS 62 HA LYS 62 0.678 0.659 -13.508 501 1HB LYS 62 HB2 LYS 62 0.926 -1.738 -14.141 502 2HB LYS 62 HB1 LYS 62 -0.636 -2.065 -13.406 503 1HG LYS 62 HG2 LYS 62 -0.949 -1.892 -15.756 504 2HG LYS 62 HG1 LYS 62 -1.653 -0.456 -15.008 505 1HD LYS 62 HD2 LYS 62 0.382 0.807 -15.551 506 2HD LYS 62 HD1 LYS 62 1.054 -0.626 -16.334 507 1HE LYS 62 HE2 LYS 62 -0.905 -0.614 -17.876 508 2HE LYS 62 HE1 LYS 62 -1.410 0.914 -17.152 509 1HZ LYS 62 HZ1 LYS 62 0.765 1.842 -17.830 510 2HZ LYS 62 HZ2 LYS 62 -0.194 1.362 -19.140 511 3HZ LYS 62 HZ3 LYS 62 1.106 0.392 -18.646 512 H ALA 63 HN ALA 63 -1.480 -1.188 -11.383 513 HA ALA 63 HA ALA 63 -3.873 0.094 -12.054 514 1HB ALA 63 HB1 ALA 63 -4.773 -0.841 -10.014 515 2HB ALA 63 HB2 ALA 63 -3.147 -1.133 -9.399 516 3HB ALA 63 HB3 ALA 63 -3.732 -2.024 -10.804 517 H LEU 64 HN LEU 64 -1.444 0.879 -9.606 518 HA LEU 64 HA LEU 64 -2.799 2.944 -8.301 519 1HB LEU 64 HB2 LEU 64 0.115 2.406 -8.772 520 2HB LEU 64 HB1 LEU 64 -0.407 3.843 -7.919 521 HG LEU 64 HG LEU 64 -1.065 1.026 -7.051 522 1HD1 LEU 64 HD11 LEU 64 0.618 1.357 -5.325 523 2HD1 LEU 64 HD12 LEU 64 1.031 2.926 -6.015 524 3HD1 LEU 64 HD13 LEU 64 1.335 1.451 -6.932 525 1HD2 LEU 64 HD21 LEU 64 -2.690 2.650 -6.281 526 2HD2 LEU 64 HD22 LEU 64 -1.400 3.705 -5.696 527 3HD2 LEU 64 HD23 LEU 64 -1.673 2.136 -4.932 528 H LYS 65 HN LYS 65 -0.488 3.189 -11.012 529 HA LYS 65 HA LYS 65 -0.590 5.957 -11.315 530 1HB LYS 65 HB2 LYS 65 -0.180 3.872 -13.468 531 2HB LYS 65 HB1 LYS 65 0.216 5.579 -13.614 532 1HG LYS 65 HG2 LYS 65 1.882 5.376 -11.872 533 2HG LYS 65 HG1 LYS 65 1.450 3.681 -11.630 534 1HD LYS 65 HD2 LYS 65 2.115 3.217 -13.967 535 2HD LYS 65 HD1 LYS 65 2.622 4.899 -14.132 536 1HE LYS 65 HE2 LYS 65 3.735 2.941 -12.125 537 2HE LYS 65 HE1 LYS 65 4.501 3.361 -13.655 538 1HZ LYS 65 HZ1 LYS 65 4.918 5.531 -12.926 539 2HZ LYS 65 HZ2 LYS 65 5.290 4.568 -11.582 540 3HZ LYS 65 HZ3 LYS 65 3.830 5.413 -11.639 541 H GLN 66 HN GLN 66 -2.655 3.454 -12.689 542 HA GLN 66 HA GLN 66 -4.096 5.177 -14.417 543 1HB GLN 66 HB2 GLN 66 -3.943 2.709 -14.688 544 2HB GLN 66 HB1 GLN 66 -4.949 2.514 -13.261 545 1HG GLN 66 HG2 GLN 66 -5.938 4.125 -15.571 546 2HG GLN 66 HG1 GLN 66 -5.995 2.365 -15.630 547 1HE2 GLN 66 HE21 GLN 66 -8.102 4.444 -15.521 548 2HE2 GLN 66 HE22 GLN 66 -9.108 3.990 -14.189 549 H SER 67 HN SER 67 -4.827 3.869 -11.187 550 HA SER 67 HA SER 67 -7.417 5.058 -11.129 551 1HB SER 67 HB2 SER 67 -7.400 4.315 -8.721 552 2HB SER 67 HB1 SER 67 -7.099 3.033 -9.893 553 HG SER 67 HG SER 67 -4.952 3.052 -9.366 554 H VAL 68 HN VAL 68 -4.248 6.065 -10.059 555 HA VAL 68 HA VAL 68 -5.185 8.163 -8.361 556 HB VAL 68 HB VAL 68 -2.478 7.601 -9.574 557 1HG1 VAL 68 HG11 VAL 68 -2.708 10.019 -9.316 558 2HG1 VAL 68 HG12 VAL 68 -1.576 9.360 -8.135 559 3HG1 VAL 68 HG13 VAL 68 -3.213 9.799 -7.640 560 1HG2 VAL 68 HG21 VAL 68 -3.552 7.424 -6.759 561 2HG2 VAL 68 HG22 VAL 68 -1.884 7.108 -7.236 562 3HG2 VAL 68 HG23 VAL 68 -3.181 6.068 -7.824 563 H LEU 69 HN LEU 69 -3.890 8.102 -11.689 564 HA LEU 69 HA LEU 69 -4.037 10.919 -12.001 565 1HB LEU 69 HB2 LEU 69 -3.557 8.620 -13.823 566 2HB LEU 69 HB1 LEU 69 -4.006 10.153 -14.546 567 HG LEU 69 HG LEU 69 -2.070 11.224 -13.438 568 1HD1 LEU 69 HD11 LEU 69 -1.355 8.421 -12.591 569 2HD1 LEU 69 HD12 LEU 69 -1.863 9.728 -11.522 570 3HD1 LEU 69 HD13 LEU 69 -0.342 9.854 -12.405 571 1HD2 LEU 69 HD21 LEU 69 -0.348 10.196 -14.847 572 2HD2 LEU 69 HD22 LEU 69 -1.868 10.409 -15.717 573 3HD2 LEU 69 HD23 LEU 69 -1.408 8.814 -15.123 574 H GLU 70 HN GLU 70 -6.287 8.312 -12.772 575 HA GLU 70 HA GLU 70 -8.112 10.223 -14.008 576 1HB GLU 70 HB2 GLU 70 -8.273 7.224 -13.693 577 2HB GLU 70 HB1 GLU 70 -9.492 8.204 -14.494 578 1HG GLU 70 HG2 GLU 70 -7.781 8.949 -16.108 579 2HG GLU 70 HG1 GLU 70 -6.626 7.868 -15.334 580 H HIS 71 HN HIS 71 -7.432 9.685 -10.956 581 HA HIS 71 HA HIS 71 -9.917 8.886 -9.818 582 1HB HIS 71 HB2 HIS 71 -7.613 8.792 -8.713 583 2HB HIS 71 HB1 HIS 71 -7.812 10.512 -8.394 584 HD1 HIS 71 HD1 HIS 71 -9.152 11.146 -6.349 585 HD2 HIS 71 HD2 HIS 71 -9.592 7.140 -7.397 586 HE1 HIS 71 HE1 HIS 71 -10.423 10.079 -4.460 587 HE2 HIS 71 HE2 HIS 71 -10.853 7.714 -5.210 588 H HIS 72 HN HIS 72 -8.859 11.821 -11.174 589 HA HIS 72 HA HIS 72 -10.784 13.367 -9.578 590 1HB HIS 72 HB2 HIS 72 -8.245 14.010 -9.958 591 2HB HIS 72 HB1 HIS 72 -8.872 14.683 -11.459 592 HD1 HIS 72 HD1 HIS 72 -8.405 17.123 -10.715 593 HD2 HIS 72 HD2 HIS 72 -10.952 15.025 -8.170 594 HE1 HIS 72 HE1 HIS 72 -9.400 18.841 -9.170 595 HE2 HIS 72 HE2 HIS 72 -10.771 17.525 -7.519 596 H HIS 73 HN HIS 73 -10.750 11.686 -12.362 597 HA HIS 73 HA HIS 73 -12.963 13.236 -13.440 598 1HB HIS 73 HB2 HIS 73 -10.404 12.766 -14.921 599 2HB HIS 73 HB1 HIS 73 -11.917 12.730 -15.816 600 HD1 HIS 73 HD1 HIS 73 -9.543 14.917 -15.983 601 HD2 HIS 73 HD2 HIS 73 -13.261 15.343 -14.167 602 HE1 HIS 73 HE1 HIS 73 -9.985 17.388 -15.918 603 HE2 HIS 73 HE2 HIS 73 -12.315 17.614 -14.975 604 H HIS 74 HN HIS 74 -14.440 11.669 -13.073 605 HA HIS 74 HA HIS 74 -13.858 8.986 -14.133 606 1HB HIS 74 HB2 HIS 74 -14.463 9.164 -11.709 607 2HB HIS 74 HB1 HIS 74 -16.038 9.784 -12.191 608 HD1 HIS 74 HD1 HIS 74 -17.825 8.083 -12.601 609 HD2 HIS 74 HD2 HIS 74 -14.008 6.421 -12.645 610 HE1 HIS 74 HE1 HIS 74 -18.165 5.595 -12.756 611 HE2 HIS 74 HE2 HIS 74 -15.847 4.604 -12.793 612 H HIS 75 HN HIS 75 -16.108 11.675 -14.233 613 HA HIS 75 HA HIS 75 -17.537 10.313 -16.426 614 1HB HIS 75 HB2 HIS 75 -18.913 10.783 -14.385 615 2HB HIS 75 HB1 HIS 75 -18.621 12.500 -14.634 616 HD1 HIS 75 HD1 HIS 75 -21.013 13.176 -15.132 617 HD2 HIS 75 HD2 HIS 75 -19.643 10.086 -17.564 618 HE1 HIS 75 HE1 HIS 75 -22.779 12.860 -16.896 619 HE2 HIS 75 HE2 HIS 75 -21.991 10.912 -18.286 620 H HIS 76 HN HIS 76 -16.457 11.026 -18.167 621 HA HIS 76 HA HIS 76 -16.929 13.706 -19.030 622 1HB HIS 76 HB2 HIS 76 -14.936 14.161 -17.710 623 2HB HIS 76 HB1 HIS 76 -14.073 12.847 -18.497 624 HD1 HIS 76 HD1 HIS 76 -12.375 13.814 -19.994 625 HD2 HIS 76 HD2 HIS 76 -15.923 15.989 -20.086 626 HE1 HIS 76 HE1 HIS 76 -12.012 15.644 -21.682 627 HE2 HIS 76 HE2 HIS 76 -14.228 16.828 -21.857 628 1H MET 1 HT1 MET 1 17.109 11.888 20.641 629 2H MET 1 HT2 MET 1 16.581 10.296 20.893 630 3H MET 1 HT3 MET 1 16.468 11.432 22.145 631 HA MET 1 HA MET 1 14.314 11.047 21.154 632 1HB MET 1 HB2 MET 1 15.544 13.747 20.578 633 2HB MET 1 HB1 MET 1 13.821 13.422 20.447 634 1HG MET 1 HG2 MET 1 13.776 12.805 22.821 635 2HG MET 1 HG1 MET 1 15.491 13.197 22.939 636 1HE MET 1 HE1 MET 1 13.201 14.427 24.819 637 2HE MET 1 HE2 MET 1 13.711 16.114 24.894 638 3HE MET 1 HE3 MET 1 14.911 14.826 24.991 639 HA PRO 2 HA PRO 2 14.551 10.156 16.823 640 1HB PRO 2 HB2 PRO 2 12.176 9.012 16.549 641 2HB PRO 2 HB1 PRO 2 13.405 8.277 17.589 642 1HG PRO 2 HG2 PRO 2 11.013 9.904 18.341 643 2HG PRO 2 HG1 PRO 2 11.673 8.455 19.119 644 1HD PRO 2 HD2 PRO 2 12.130 11.084 19.933 645 2HD PRO 2 HD1 PRO 2 13.109 9.677 20.393 646 H ILE 3 HN ILE 3 13.176 12.788 18.007 647 HA ILE 3 HA ILE 3 11.199 13.318 15.986 648 HB ILE 3 HB ILE 3 10.733 14.230 18.132 649 1HG1 ILE 3 HG12 ILE 3 11.609 16.506 16.344 650 2HG1 ILE 3 HG11 ILE 3 10.102 15.612 16.175 651 1HG2 ILE 3 HG21 ILE 3 12.961 14.314 19.058 652 2HG2 ILE 3 HG22 ILE 3 12.169 15.879 19.246 653 3HG2 ILE 3 HG23 ILE 3 13.384 15.651 17.988 654 1HD1 ILE 3 HD11 ILE 3 9.389 16.399 18.372 655 2HD1 ILE 3 HD12 ILE 3 9.754 17.743 17.289 656 3HD1 ILE 3 HD13 ILE 3 10.904 17.285 18.544 657 H VAL 4 HN VAL 4 12.134 13.345 14.029 658 HA VAL 4 HA VAL 4 13.835 15.665 13.459 659 HB VAL 4 HB VAL 4 15.079 14.356 11.756 660 1HG1 VAL 4 HG11 VAL 4 15.310 13.279 14.563 661 2HG1 VAL 4 HG12 VAL 4 16.096 14.726 13.930 662 3HG1 VAL 4 HG13 VAL 4 16.539 13.138 13.305 663 1HG2 VAL 4 HG21 VAL 4 13.688 11.989 13.002 664 2HG2 VAL 4 HG22 VAL 4 15.043 11.892 11.875 665 3HG2 VAL 4 HG23 VAL 4 13.503 12.572 11.347 666 H SER 5 HN SER 5 13.859 16.060 11.001 667 HA SER 5 HA SER 5 11.202 16.446 10.138 668 1HB SER 5 HB2 SER 5 12.410 17.085 7.948 669 2HB SER 5 HB1 SER 5 12.792 18.017 9.396 670 HG SER 5 HG SER 5 14.607 17.173 8.031 671 H LYS 6 HN LYS 6 13.312 13.780 9.833 672 HA LYS 6 HA LYS 6 11.874 12.690 7.533 673 1HB LYS 6 HB2 LYS 6 14.266 11.557 8.997 674 2HB LYS 6 HB1 LYS 6 13.626 11.011 7.452 675 1HG LYS 6 HG2 LYS 6 14.192 13.182 6.459 676 2HG LYS 6 HG1 LYS 6 14.860 13.703 8.005 677 1HD LYS 6 HD2 LYS 6 16.450 11.776 7.874 678 2HD LYS 6 HD1 LYS 6 15.851 11.464 6.245 679 1HE LYS 6 HE2 LYS 6 17.177 13.999 7.204 680 2HE LYS 6 HE1 LYS 6 17.914 12.765 6.186 681 1HZ LYS 6 HZ1 LYS 6 16.326 13.253 4.456 682 2HZ LYS 6 HZ2 LYS 6 17.123 14.682 4.914 683 3HZ LYS 6 HZ3 LYS 6 15.538 14.391 5.438 684 H TYR 7 HN TYR 7 11.160 12.926 10.573 685 HA TYR 7 HA TYR 7 9.674 11.906 11.925 686 1HB TYR 7 HB2 TYR 7 9.448 9.974 9.625 687 2HB TYR 7 HB1 TYR 7 8.514 9.800 11.108 688 HD1 TYR 7 HD1 TYR 7 6.979 11.688 11.787 689 HD2 TYR 7 HD2 TYR 7 8.740 11.441 7.922 690 HE1 TYR 7 HE1 TYR 7 5.289 13.245 10.924 691 HE2 TYR 7 HE2 TYR 7 7.050 13.002 7.048 692 HH TYR 7 HH TYR 7 5.024 14.837 9.071 693 H SER 8 HN SER 8 9.249 9.696 13.054 694 HA SER 8 HA SER 8 11.859 8.887 14.058 695 1HB SER 8 HB2 SER 8 9.119 8.218 15.156 696 2HB SER 8 HB1 SER 8 10.664 8.105 15.998 697 HG SER 8 HG SER 8 10.747 10.499 15.451 698 H ASN 9 HN ASN 9 12.731 6.940 13.717 699 HA ASN 9 HA ASN 9 11.752 5.215 11.747 700 1HB ASN 9 HB2 ASN 9 13.807 4.729 13.910 701 2HB ASN 9 HB1 ASN 9 13.493 3.610 12.590 702 1HD2 ASN 9 HD21 ASN 9 14.173 4.121 10.531 703 2HD2 ASN 9 HD22 ASN 9 15.283 5.411 10.206 704 H GLU 10 HN GLU 10 11.645 4.938 15.288 705 HA GLU 10 HA GLU 10 10.437 2.400 15.338 706 1HB GLU 10 HB2 GLU 10 10.501 4.621 17.366 707 2HB GLU 10 HB1 GLU 10 9.683 3.097 17.674 708 1HG GLU 10 HG2 GLU 10 11.706 2.657 18.609 709 2HG GLU 10 HG1 GLU 10 12.000 2.080 16.972 710 H ARG 11 HN ARG 11 8.983 5.653 15.337 711 HA ARG 11 HA ARG 11 6.347 4.638 15.723 712 1HB ARG 11 HB2 ARG 11 6.917 6.941 16.353 713 2HB ARG 11 HB1 ARG 11 7.183 7.341 14.659 714 1HG ARG 11 HG2 ARG 11 4.886 7.018 14.137 715 2HG ARG 11 HG1 ARG 11 4.560 6.319 15.723 716 1HD ARG 11 HD2 ARG 11 5.135 8.503 16.746 717 2HD ARG 11 HD1 ARG 11 5.321 9.174 15.123 718 HE ARG 11 HE ARG 11 2.784 7.954 15.349 719 1HH1 ARG 11 HH11 ARG 11 4.532 10.743 16.568 720 2HH1 ARG 11 HH12 ARG 11 3.111 11.738 16.686 721 1HH2 ARG 11 HH21 ARG 11 0.926 9.233 15.544 722 2HH2 ARG 11 HH22 ARG 11 1.047 10.870 16.107 723 H VAL 12 HN VAL 12 8.200 5.620 12.856 724 HA VAL 12 HA VAL 12 6.118 5.262 10.993 725 HB VAL 12 HB VAL 12 9.105 4.949 10.626 726 1HG1 VAL 12 HG11 VAL 12 6.940 5.118 8.532 727 2HG1 VAL 12 HG12 VAL 12 7.929 3.703 8.894 728 3HG1 VAL 12 HG13 VAL 12 8.674 5.153 8.222 729 1HG2 VAL 12 HG21 VAL 12 7.229 7.216 9.936 730 2HG2 VAL 12 HG22 VAL 12 8.965 7.176 9.622 731 3HG2 VAL 12 HG23 VAL 12 8.371 7.194 11.281 732 H GLU 13 HN GLU 13 8.564 3.014 12.242 733 HA GLU 13 HA GLU 13 7.724 0.738 10.815 734 1HB GLU 13 HB2 GLU 13 9.863 0.788 11.947 735 2HB GLU 13 HB1 GLU 13 9.079 0.996 13.506 736 1HG GLU 13 HG2 GLU 13 8.201 -1.220 13.440 737 2HG GLU 13 HG1 GLU 13 8.735 -1.438 11.773 738 H LYS 14 HN LYS 14 6.739 2.061 13.941 739 HA LYS 14 HA LYS 14 4.962 0.132 14.801 740 1HB LYS 14 HB2 LYS 14 5.482 2.061 16.172 741 2HB LYS 14 HB1 LYS 14 4.753 3.142 14.992 742 1HG LYS 14 HG2 LYS 14 2.576 1.922 15.424 743 2HG LYS 14 HG1 LYS 14 3.385 1.181 16.805 744 1HD LYS 14 HD2 LYS 14 3.812 3.374 17.760 745 2HD LYS 14 HD1 LYS 14 3.081 4.148 16.353 746 1HE LYS 14 HE2 LYS 14 1.661 2.300 18.269 747 2HE LYS 14 HE1 LYS 14 1.551 4.057 18.282 748 1HZ LYS 14 HZ1 LYS 14 0.726 2.321 16.005 749 2HZ LYS 14 HZ2 LYS 14 0.534 4.010 16.115 750 3HZ LYS 14 HZ3 LYS 14 -0.325 2.992 17.154 751 H ILE 15 HN ILE 15 4.235 2.955 12.761 752 HA ILE 15 HA ILE 15 1.550 2.424 12.274 753 HB ILE 15 HB ILE 15 3.487 3.723 10.351 754 1HG1 ILE 15 HG12 ILE 15 1.810 4.989 12.530 755 2HG1 ILE 15 HG11 ILE 15 3.544 4.720 12.626 756 1HG2 ILE 15 HG21 ILE 15 1.356 3.167 9.321 757 2HG2 ILE 15 HG22 ILE 15 1.505 4.913 9.530 758 3HG2 ILE 15 HG23 ILE 15 0.495 3.975 10.631 759 1HD1 ILE 15 HD11 ILE 15 2.142 6.496 10.645 760 2HD1 ILE 15 HD12 ILE 15 3.881 6.219 10.732 761 3HD1 ILE 15 HD13 ILE 15 3.048 7.021 12.064 762 H ILE 16 HN ILE 16 4.394 1.454 10.368 763 HA ILE 16 HA ILE 16 3.062 0.098 8.322 764 HB ILE 16 HB ILE 16 5.770 -0.557 9.504 765 1HG1 ILE 16 HG12 ILE 16 5.062 1.183 7.131 766 2HG1 ILE 16 HG11 ILE 16 5.516 1.792 8.719 767 1HG2 ILE 16 HG21 ILE 16 4.555 -1.284 6.838 768 2HG2 ILE 16 HG22 ILE 16 4.949 -2.390 8.154 769 3HG2 ILE 16 HG23 ILE 16 6.238 -1.551 7.291 770 1HD1 ILE 16 HD11 ILE 16 7.712 0.767 8.492 771 2HD1 ILE 16 HD12 ILE 16 7.378 1.877 7.162 772 3HD1 ILE 16 HD13 ILE 16 7.257 0.136 6.908 773 H GLN 17 HN GLN 17 4.331 -1.126 11.409 774 HA GLN 17 HA GLN 17 3.540 -3.808 10.942 775 1HB GLN 17 HB2 GLN 17 5.322 -3.240 12.515 776 2HB GLN 17 HB1 GLN 17 4.169 -2.400 13.542 777 1HG GLN 17 HG2 GLN 17 4.710 -4.594 14.433 778 2HG GLN 17 HG1 GLN 17 3.010 -4.494 13.980 779 1HE2 GLN 17 HE21 GLN 17 2.266 -5.666 12.214 780 2HE2 GLN 17 HE22 GLN 17 3.176 -6.970 11.529 781 H ASP 18 HN ASP 18 1.958 -1.058 12.494 782 HA ASP 18 HA ASP 18 -0.210 -2.511 13.581 783 1HB ASP 18 HB2 ASP 18 -0.004 0.383 12.733 784 2HB ASP 18 HB1 ASP 18 -1.433 -0.295 13.502 785 H LEU 19 HN LEU 19 0.277 -0.921 10.462 786 HA LEU 19 HA LEU 19 -2.229 -1.486 9.331 787 1HB LEU 19 HB2 LEU 19 0.477 -1.263 8.002 788 2HB LEU 19 HB1 LEU 19 -1.052 -1.285 7.148 789 HG LEU 19 HG LEU 19 -0.233 0.833 9.137 790 1HD1 LEU 19 HD11 LEU 19 -0.309 0.932 6.125 791 2HD1 LEU 19 HD12 LEU 19 1.150 0.872 7.113 792 3HD1 LEU 19 HD13 LEU 19 0.079 2.272 7.203 793 1HD2 LEU 19 HD21 LEU 19 -2.635 0.552 9.022 794 2HD2 LEU 19 HD22 LEU 19 -2.586 0.626 7.260 795 3HD2 LEU 19 HD23 LEU 19 -2.165 2.049 8.215 796 H LEU 20 HN LEU 20 0.813 -3.315 9.254 797 HA LEU 20 HA LEU 20 -0.125 -5.522 7.796 798 1HB LEU 20 HB2 LEU 20 2.017 -5.417 9.925 799 2HB LEU 20 HB1 LEU 20 1.769 -6.746 8.810 800 HG LEU 20 HG LEU 20 2.508 -3.940 7.982 801 1HD1 LEU 20 HD11 LEU 20 4.312 -4.981 9.236 802 2HD1 LEU 20 HD12 LEU 20 4.721 -4.879 7.524 803 3HD1 LEU 20 HD13 LEU 20 4.209 -6.417 8.215 804 1HD2 LEU 20 HD21 LEU 20 1.262 -5.177 6.281 805 2HD2 LEU 20 HD22 LEU 20 2.399 -6.516 6.417 806 3HD2 LEU 20 HD23 LEU 20 2.945 -4.955 5.806 807 H ASP 21 HN ASP 21 -0.191 -4.776 11.233 808 HA ASP 21 HA ASP 21 -1.123 -7.253 12.169 809 1HB ASP 21 HB2 ASP 21 -0.262 -5.584 13.707 810 2HB ASP 21 HB1 ASP 21 -1.563 -4.476 13.277 811 H VAL 22 HN VAL 22 -2.818 -4.431 10.905 812 HA VAL 22 HA VAL 22 -5.424 -5.318 11.523 813 HB VAL 22 HB VAL 22 -4.512 -3.432 9.342 814 1HG1 VAL 22 HG11 VAL 22 -6.835 -2.637 9.313 815 2HG1 VAL 22 HG12 VAL 22 -7.280 -3.915 10.444 816 3HG1 VAL 22 HG13 VAL 22 -6.716 -4.328 8.825 817 1HG2 VAL 22 HG21 VAL 22 -5.618 -2.906 12.099 818 2HG2 VAL 22 HG22 VAL 22 -5.223 -1.679 10.896 819 3HG2 VAL 22 HG23 VAL 22 -3.944 -2.677 11.592 820 H LEU 23 HN LEU 23 -3.343 -5.863 8.699 821 HA LEU 23 HA LEU 23 -5.484 -7.191 7.320 822 1HB LEU 23 HB2 LEU 23 -3.894 -7.685 5.569 823 2HB LEU 23 HB1 LEU 23 -3.840 -5.999 6.018 824 HG LEU 23 HG LEU 23 -1.757 -6.601 7.387 825 1HD1 LEU 23 HD11 LEU 23 -2.014 -9.028 7.373 826 2HD1 LEU 23 HD12 LEU 23 -0.510 -8.549 6.585 827 3HD1 LEU 23 HD13 LEU 23 -1.897 -9.036 5.610 828 1HD2 LEU 23 HD21 LEU 23 -1.705 -5.317 5.335 829 2HD2 LEU 23 HD22 LEU 23 -1.756 -6.805 4.386 830 3HD2 LEU 23 HD23 LEU 23 -0.347 -6.444 5.387 831 H VAL 24 HN VAL 24 -2.992 -8.155 9.521 832 HA VAL 24 HA VAL 24 -3.351 -10.978 9.050 833 HB VAL 24 HB VAL 24 -2.149 -9.506 11.412 834 1HG1 VAL 24 HG11 VAL 24 -1.223 -11.658 12.099 835 2HG1 VAL 24 HG12 VAL 24 -2.083 -12.457 10.784 836 3HG1 VAL 24 HG13 VAL 24 -2.986 -11.701 12.096 837 1HG2 VAL 24 HG21 VAL 24 -0.837 -10.994 9.139 838 2HG2 VAL 24 HG22 VAL 24 -0.006 -10.214 10.486 839 3HG2 VAL 24 HG23 VAL 24 -0.905 -9.242 9.321 840 H LYS 25 HN LYS 25 -4.588 -8.530 11.199 841 HA LYS 25 HA LYS 25 -6.252 -9.886 12.904 842 1HB LYS 25 HB2 LYS 25 -5.915 -7.523 13.052 843 2HB LYS 25 HB1 LYS 25 -6.557 -7.264 11.444 844 1HG LYS 25 HG2 LYS 25 -8.789 -8.005 12.323 845 2HG LYS 25 HG1 LYS 25 -8.069 -7.971 13.940 846 1HD LYS 25 HD2 LYS 25 -7.455 -5.616 13.605 847 2HD LYS 25 HD1 LYS 25 -8.205 -5.649 12.011 848 1HE LYS 25 HE2 LYS 25 -10.367 -6.171 13.079 849 2HE LYS 25 HE1 LYS 25 -9.591 -6.042 14.658 850 1HZ LYS 25 HZ1 LYS 25 -8.966 -3.722 14.006 851 2HZ LYS 25 HZ2 LYS 25 -10.627 -3.975 14.215 852 3HZ LYS 25 HZ3 LYS 25 -9.975 -3.884 12.653 853 H GLU 26 HN GLU 26 -6.949 -8.838 9.587 854 HA GLU 26 HA GLU 26 -9.490 -10.275 9.594 855 1HB GLU 26 HB2 GLU 26 -8.260 -8.772 7.285 856 2HB GLU 26 HB1 GLU 26 -9.951 -9.178 7.530 857 1HG GLU 26 HG2 GLU 26 -8.382 -7.279 9.247 858 2HG GLU 26 HG1 GLU 26 -9.415 -6.798 7.903 859 H GLU 27 HN GLU 27 -6.291 -10.915 8.925 860 HA GLU 27 HA GLU 27 -5.107 -12.399 7.695 861 1HB GLU 27 HB2 GLU 27 -7.698 -13.926 7.895 862 2HB GLU 27 HB1 GLU 27 -6.215 -14.603 7.248 863 1HG GLU 27 HG2 GLU 27 -5.123 -14.213 9.419 864 2HG GLU 27 HG1 GLU 27 -6.660 -13.620 10.055 865 H VAL 28 HN VAL 28 -5.408 -10.566 6.029 866 HA VAL 28 HA VAL 28 -7.083 -11.156 3.785 867 HB VAL 28 HB VAL 28 -5.946 -9.355 2.630 868 1HG1 VAL 28 HG11 VAL 28 -6.427 -8.687 5.530 869 2HG1 VAL 28 HG12 VAL 28 -7.640 -8.731 4.250 870 3HG1 VAL 28 HG13 VAL 28 -6.357 -7.521 4.208 871 1HG2 VAL 28 HG21 VAL 28 -4.060 -8.157 3.662 872 2HG2 VAL 28 HG22 VAL 28 -3.655 -9.828 3.265 873 3HG2 VAL 28 HG23 VAL 28 -4.001 -9.376 4.934 874 H THR 29 HN THR 29 -6.608 -12.134 1.881 875 HA THR 29 HA THR 29 -4.262 -13.790 1.676 876 HB THR 29 HB THR 29 -5.716 -13.552 -0.800 877 HG1 THR 29 HG1 THR 29 -7.406 -14.268 1.362 878 1HG2 THR 29 HG21 THR 29 -4.533 -15.566 -0.060 879 2HG2 THR 29 HG22 THR 29 -6.236 -15.918 -0.364 880 3HG2 THR 29 HG23 THR 29 -5.655 -15.735 1.291 881 HA PRO 30 HA PRO 30 -1.360 -11.210 -0.446 882 1HB PRO 30 HB2 PRO 30 -1.690 -12.988 -2.837 883 2HB PRO 30 HB1 PRO 30 -0.210 -12.393 -2.075 884 1HG PRO 30 HG2 PRO 30 -1.026 -14.874 -1.632 885 2HG PRO 30 HG1 PRO 30 -0.348 -13.899 -0.314 886 1HD PRO 30 HD2 PRO 30 -3.177 -14.660 -0.844 887 2HD PRO 30 HD1 PRO 30 -2.350 -14.388 0.702 888 H ASP 31 HN ASP 31 -3.767 -12.311 -2.842 889 HA ASP 31 HA ASP 31 -3.743 -9.974 -4.394 890 1HB ASP 31 HB2 ASP 31 -5.864 -12.100 -4.049 891 2HB ASP 31 HB1 ASP 31 -5.964 -10.814 -5.248 892 H LEU 32 HN LEU 32 -5.797 -10.956 -1.695 893 HA LEU 32 HA LEU 32 -7.588 -8.795 -1.773 894 1HB LEU 32 HB2 LEU 32 -8.024 -10.832 -0.501 895 2HB LEU 32 HB1 LEU 32 -6.683 -10.474 0.567 896 HG LEU 32 HG LEU 32 -7.879 -8.475 1.387 897 1HD1 LEU 32 HD11 LEU 32 -10.103 -9.457 -0.394 898 2HD1 LEU 32 HD12 LEU 32 -9.201 -7.953 -0.570 899 3HD1 LEU 32 HD13 LEU 32 -10.256 -8.191 0.823 900 1HD2 LEU 32 HD21 LEU 32 -9.603 -9.671 2.650 901 2HD2 LEU 32 HD22 LEU 32 -8.098 -10.589 2.577 902 3HD2 LEU 32 HD23 LEU 32 -9.457 -11.040 1.548 903 H ALA 33 HN ALA 33 -4.495 -9.239 -0.110 904 HA ALA 33 HA ALA 33 -4.483 -6.911 1.428 905 1HB ALA 33 HB1 ALA 33 -2.857 -8.718 1.699 906 2HB ALA 33 HB2 ALA 33 -2.056 -7.161 1.482 907 3HB ALA 33 HB3 ALA 33 -2.137 -8.306 0.143 908 H LEU 34 HN LEU 34 -3.114 -7.481 -1.803 909 HA LEU 34 HA LEU 34 -2.174 -4.869 -2.208 910 1HB LEU 34 HB2 LEU 34 -3.022 -6.923 -4.248 911 2HB LEU 34 HB1 LEU 34 -2.081 -5.485 -4.596 912 HG LEU 34 HG LEU 34 -1.204 -7.796 -2.861 913 1HD1 LEU 34 HD11 LEU 34 -0.297 -6.899 -5.591 914 2HD1 LEU 34 HD12 LEU 34 -1.254 -8.336 -5.235 915 3HD1 LEU 34 HD13 LEU 34 0.404 -8.214 -4.648 916 1HD2 LEU 34 HD21 LEU 34 0.265 -5.291 -3.681 917 2HD2 LEU 34 HD22 LEU 34 0.969 -6.662 -2.827 918 3HD2 LEU 34 HD23 LEU 34 -0.283 -5.694 -2.052 919 H MET 35 HN MET 35 -5.262 -6.384 -3.068 920 HA MET 35 HA MET 35 -6.293 -4.237 -4.555 921 1HB MET 35 HB2 MET 35 -7.275 -6.498 -4.552 922 2HB MET 35 HB1 MET 35 -7.806 -6.258 -2.894 923 1HG MET 35 HG2 MET 35 -9.271 -4.460 -3.591 924 2HG MET 35 HG1 MET 35 -8.700 -4.616 -5.251 925 1HE MET 35 HE1 MET 35 -11.081 -7.927 -3.088 926 2HE MET 35 HE2 MET 35 -10.635 -6.402 -2.323 927 3HE MET 35 HE3 MET 35 -9.386 -7.571 -2.752 928 H CYS 36 HN CYS 36 -6.538 -4.980 -1.087 929 HA CYS 36 HA CYS 36 -8.154 -2.720 -0.473 930 1HB CYS 36 HB2 CYS 36 -6.349 -4.324 1.351 931 2HB CYS 36 HB1 CYS 36 -7.623 -3.221 1.864 932 HG CYS 36 HG CYS 36 -7.902 -6.312 0.495 933 H LEU 37 HN LEU 37 -4.675 -3.371 -0.211 934 HA LEU 37 HA LEU 37 -3.939 -0.923 0.942 935 1HB LEU 37 HB2 LEU 37 -2.372 -2.793 -0.835 936 2HB LEU 37 HB1 LEU 37 -1.667 -1.423 0.000 937 HG LEU 37 HG LEU 37 -3.002 -3.765 1.359 938 1HD1 LEU 37 HD11 LEU 37 -0.933 -4.449 0.279 939 2HD1 LEU 37 HD12 LEU 37 -0.741 -4.410 2.031 940 3HD1 LEU 37 HD13 LEU 37 -0.078 -3.110 1.044 941 1HD2 LEU 37 HD21 LEU 37 -3.153 -1.692 2.633 942 2HD2 LEU 37 HD22 LEU 37 -1.412 -1.462 2.479 943 3HD2 LEU 37 HD23 LEU 37 -2.044 -2.828 3.399 944 H GLY 38 HN GLY 38 -4.215 -1.896 -2.455 945 1HA GLY 38 HA2 GLY 38 -3.140 0.363 -3.671 946 2HA GLY 38 HA1 GLY 38 -4.391 -0.651 -4.374 947 H ASN 39 HN ASN 39 -6.474 -0.193 -2.595 948 HA ASN 39 HA ASN 39 -7.426 2.327 -3.522 949 1HB ASN 39 HB2 ASN 39 -8.527 0.266 -1.629 950 2HB ASN 39 HB1 ASN 39 -9.334 1.812 -1.857 951 1HD2 ASN 39 HD21 ASN 39 -8.505 -1.237 -3.300 952 2HD2 ASN 39 HD22 ASN 39 -9.554 -1.093 -4.666 953 H ALA 40 HN ALA 40 -6.150 1.146 -0.456 954 HA ALA 40 HA ALA 40 -6.733 3.421 1.101 955 1HB ALA 40 HB1 ALA 40 -5.072 2.575 2.663 956 2HB ALA 40 HB2 ALA 40 -4.453 1.473 1.433 957 3HB ALA 40 HB3 ALA 40 -6.086 1.260 2.065 958 H VAL 41 HN VAL 41 -3.848 2.530 -0.764 959 HA VAL 41 HA VAL 41 -2.310 4.807 -0.180 960 HB VAL 41 HB VAL 41 -2.306 3.199 -2.749 961 1HG1 VAL 41 HG11 VAL 41 0.011 3.991 -2.971 962 2HG1 VAL 41 HG12 VAL 41 -0.216 5.012 -1.551 963 3HG1 VAL 41 HG13 VAL 41 -1.156 5.312 -3.014 964 1HG2 VAL 41 HG21 VAL 41 -0.465 1.937 -1.759 965 2HG2 VAL 41 HG22 VAL 41 -1.940 1.769 -0.807 966 3HG2 VAL 41 HG23 VAL 41 -0.650 2.837 -0.254 967 H THR 42 HN THR 42 -4.459 4.119 -2.927 968 HA THR 42 HA THR 42 -4.105 6.554 -4.259 969 HB THR 42 HB THR 42 -6.549 4.779 -4.318 970 HG1 THR 42 HG1 THR 42 -4.896 3.461 -4.892 971 1HG2 THR 42 HG21 THR 42 -5.432 6.695 -6.370 972 2HG2 THR 42 HG22 THR 42 -6.889 6.947 -5.406 973 3HG2 THR 42 HG23 THR 42 -6.831 5.644 -6.593 974 H ASN 43 HN ASN 43 -6.274 5.644 -1.653 975 HA ASN 43 HA ASN 43 -8.071 7.810 -1.859 976 1HB ASN 43 HB2 ASN 43 -8.468 5.701 -0.559 977 2HB ASN 43 HB1 ASN 43 -7.342 6.298 0.657 978 1HD2 ASN 43 HD21 ASN 43 -8.923 6.327 2.246 979 2HD2 ASN 43 HD22 ASN 43 -10.185 7.510 2.281 980 H ILE 44 HN ILE 44 -4.996 7.440 -0.155 981 HA ILE 44 HA ILE 44 -5.328 10.084 1.011 982 HB ILE 44 HB ILE 44 -4.380 8.223 2.376 983 1HG1 ILE 44 HG12 ILE 44 -2.449 10.524 2.052 984 2HG1 ILE 44 HG11 ILE 44 -4.032 10.698 2.799 985 1HG2 ILE 44 HG21 ILE 44 -1.953 8.583 0.628 986 2HG2 ILE 44 HG22 ILE 44 -3.010 7.171 0.653 987 3HG2 ILE 44 HG23 ILE 44 -2.056 7.583 2.078 988 1HD1 ILE 44 HD11 ILE 44 -1.800 8.930 3.761 989 2HD1 ILE 44 HD12 ILE 44 -3.392 9.070 4.506 990 3HD1 ILE 44 HD13 ILE 44 -2.307 10.461 4.472 991 H ILE 45 HN ILE 45 -3.683 8.569 -1.657 992 HA ILE 45 HA ILE 45 -1.939 10.726 -2.262 993 HB ILE 45 HB ILE 45 -3.184 8.645 -4.070 994 1HG1 ILE 45 HG12 ILE 45 -0.406 8.955 -2.916 995 2HG1 ILE 45 HG11 ILE 45 -1.601 7.746 -2.450 996 1HG2 ILE 45 HG21 ILE 45 -1.540 9.328 -5.761 997 2HG2 ILE 45 HG22 ILE 45 -1.049 10.668 -4.726 998 3HG2 ILE 45 HG23 ILE 45 -2.682 10.619 -5.389 999 1HD1 ILE 45 HD11 ILE 45 0.083 6.779 -3.888 1000 2HD1 ILE 45 HD12 ILE 45 -0.263 7.977 -5.135 1001 3HD1 ILE 45 HD13 ILE 45 -1.484 6.782 -4.698 1002 H ALA 46 HN ALA 46 -5.333 10.168 -2.692 1003 HA ALA 46 HA ALA 46 -5.872 12.262 -4.522 1004 1HB ALA 46 HB1 ALA 46 -8.188 12.051 -3.786 1005 2HB ALA 46 HB2 ALA 46 -7.672 11.058 -2.423 1006 3HB ALA 46 HB3 ALA 46 -7.469 10.465 -4.072 1007 H GLN 47 HN GLN 47 -5.032 12.212 -1.208 1008 HA GLN 47 HA GLN 47 -6.088 14.862 -0.645 1009 1HB GLN 47 HB2 GLN 47 -4.330 13.071 1.047 1010 2HB GLN 47 HB1 GLN 47 -5.156 14.526 1.588 1011 1HG GLN 47 HG2 GLN 47 -7.301 13.496 1.270 1012 2HG GLN 47 HG1 GLN 47 -6.552 12.071 0.551 1013 1HE2 GLN 47 HE21 GLN 47 -7.387 10.670 2.045 1014 2HE2 GLN 47 HE22 GLN 47 -6.854 10.624 3.690 1015 H VAL 48 HN VAL 48 -3.550 13.657 -2.289 1016 HA VAL 48 HA VAL 48 -1.626 15.713 -1.486 1017 HB VAL 48 HB VAL 48 -1.306 13.507 -3.539 1018 1HG1 VAL 48 HG11 VAL 48 0.216 15.359 -3.892 1019 2HG1 VAL 48 HG12 VAL 48 1.093 13.945 -3.304 1020 3HG1 VAL 48 HG13 VAL 48 0.735 15.279 -2.208 1021 1HG2 VAL 48 HG21 VAL 48 -0.387 13.558 -0.669 1022 2HG2 VAL 48 HG22 VAL 48 -0.027 12.298 -1.850 1023 3HG2 VAL 48 HG23 VAL 48 -1.689 12.564 -1.321 1024 HA PRO 49 HA PRO 49 -3.108 18.438 -4.753 1025 1HB PRO 49 HB2 PRO 49 -0.259 19.317 -4.590 1026 2HB PRO 49 HB1 PRO 49 -1.736 20.288 -4.579 1027 1HG PRO 49 HG2 PRO 49 -0.390 19.865 -2.328 1028 2HG PRO 49 HG1 PRO 49 -2.164 19.850 -2.338 1029 1HD PRO 49 HD2 PRO 49 -0.247 17.566 -2.193 1030 2HD PRO 49 HD1 PRO 49 -1.833 17.760 -1.418 1031 H GLU 50 HN GLU 50 -3.166 18.139 -6.892 1032 HA GLU 50 HA GLU 50 -2.024 15.962 -8.116 1033 1HB GLU 50 HB2 GLU 50 -3.010 18.492 -9.433 1034 2HB GLU 50 HB1 GLU 50 -2.711 16.976 -10.268 1035 1HG GLU 50 HG2 GLU 50 -4.934 16.760 -9.948 1036 2HG GLU 50 HG1 GLU 50 -4.378 16.063 -8.427 1037 H SER 51 HN SER 51 -0.724 19.194 -7.863 1038 HA SER 51 HA SER 51 1.200 19.198 -9.837 1039 1HB SER 51 HB2 SER 51 0.652 21.115 -8.350 1040 2HB SER 51 HB1 SER 51 1.518 20.312 -7.042 1041 HG SER 51 HG SER 51 3.329 20.980 -7.859 1042 H LYS 52 HN LYS 52 1.356 17.662 -6.645 1043 HA LYS 52 HA LYS 52 3.916 16.449 -7.464 1044 1HB LYS 52 HB2 LYS 52 4.389 16.122 -5.061 1045 2HB LYS 52 HB1 LYS 52 4.216 17.818 -5.486 1046 1HG LYS 52 HG2 LYS 52 2.017 17.893 -4.526 1047 2HG LYS 52 HG1 LYS 52 2.035 16.151 -4.246 1048 1HD LYS 52 HD2 LYS 52 3.945 18.122 -2.991 1049 2HD LYS 52 HD1 LYS 52 2.503 17.479 -2.205 1050 1HE LYS 52 HE2 LYS 52 3.409 15.218 -2.380 1051 2HE LYS 52 HE1 LYS 52 4.839 15.846 -3.199 1052 1HZ LYS 52 HZ1 LYS 52 5.183 15.415 -0.801 1053 2HZ LYS 52 HZ2 LYS 52 4.019 16.596 -0.444 1054 3HZ LYS 52 HZ3 LYS 52 5.453 17.040 -1.229 1055 H ARG 53 HN ARG 53 0.726 15.828 -7.266 1056 HA ARG 53 HA ARG 53 0.545 13.369 -5.909 1057 1HB ARG 53 HB2 ARG 53 -1.417 14.702 -6.519 1058 2HB ARG 53 HB1 ARG 53 -1.096 14.416 -8.223 1059 1HG ARG 53 HG2 ARG 53 -1.519 12.039 -7.917 1060 2HG ARG 53 HG1 ARG 53 -1.808 12.303 -6.197 1061 1HD ARG 53 HD2 ARG 53 -3.411 13.488 -8.463 1062 2HD ARG 53 HD1 ARG 53 -3.907 12.137 -7.446 1063 HE ARG 53 HE ARG 53 -3.311 14.286 -5.773 1064 1HH1 ARG 53 HH11 ARG 53 -5.670 13.463 -8.229 1065 2HH1 ARG 53 HH12 ARG 53 -6.906 14.472 -7.552 1066 1HH2 ARG 53 HH21 ARG 53 -4.916 15.615 -4.903 1067 2HH2 ARG 53 HH22 ARG 53 -6.481 15.700 -5.658 1068 H VAL 54 HN VAL 54 1.157 14.136 -9.309 1069 HA VAL 54 HA VAL 54 1.288 11.468 -10.232 1070 HB VAL 54 HB VAL 54 2.705 13.881 -11.382 1071 1HG1 VAL 54 HG11 VAL 54 2.583 12.654 -13.506 1072 2HG1 VAL 54 HG12 VAL 54 1.883 11.274 -12.659 1073 3HG1 VAL 54 HG13 VAL 54 3.529 11.789 -12.295 1074 1HG2 VAL 54 HG21 VAL 54 -0.068 12.829 -11.929 1075 2HG2 VAL 54 HG22 VAL 54 0.738 14.101 -12.848 1076 3HG2 VAL 54 HG23 VAL 54 0.345 14.356 -11.148 1077 H ALA 55 HN ALA 55 3.638 13.649 -8.826 1078 HA ALA 55 HA ALA 55 5.936 12.107 -9.466 1079 1HB ALA 55 HB1 ALA 55 7.118 13.583 -7.941 1080 2HB ALA 55 HB2 ALA 55 5.586 14.196 -7.319 1081 3HB ALA 55 HB3 ALA 55 6.046 14.508 -8.992 1082 H VAL 56 HN VAL 56 3.933 12.390 -6.532 1083 HA VAL 56 HA VAL 56 5.633 10.750 -4.969 1084 HB VAL 56 HB VAL 56 3.794 10.630 -3.337 1085 1HG1 VAL 56 HG11 VAL 56 5.312 12.502 -3.270 1086 2HG1 VAL 56 HG12 VAL 56 3.684 13.044 -2.860 1087 3HG1 VAL 56 HG13 VAL 56 4.344 13.369 -4.462 1088 1HG2 VAL 56 HG21 VAL 56 1.881 10.540 -4.826 1089 2HG2 VAL 56 HG22 VAL 56 2.220 12.172 -5.398 1090 3HG2 VAL 56 HG23 VAL 56 1.730 11.910 -3.725 1091 H VAL 57 HN VAL 57 2.733 10.021 -6.892 1092 HA VAL 57 HA VAL 57 2.579 7.320 -5.997 1093 HB VAL 57 HB VAL 57 0.619 8.452 -6.972 1094 1HG1 VAL 57 HG11 VAL 57 0.421 8.716 -9.402 1095 2HG1 VAL 57 HG12 VAL 57 2.110 8.245 -9.585 1096 3HG1 VAL 57 HG13 VAL 57 1.697 9.733 -8.732 1097 1HG2 VAL 57 HG21 VAL 57 1.500 5.986 -8.462 1098 2HG2 VAL 57 HG22 VAL 57 -0.154 6.591 -8.373 1099 3HG2 VAL 57 HG23 VAL 57 0.660 6.034 -6.911 1100 H ASP 58 HN ASP 58 4.288 8.935 -8.608 1101 HA ASP 58 HA ASP 58 5.019 6.560 -10.000 1102 1HB ASP 58 HB2 ASP 58 5.069 8.906 -10.937 1103 2HB ASP 58 HB1 ASP 58 6.540 9.156 -10.000 1104 H ASN 59 HN ASN 59 6.760 8.634 -7.687 1105 HA ASN 59 HA ASN 59 9.044 6.964 -7.510 1106 1HB ASN 59 HB2 ASN 59 7.902 9.063 -5.670 1107 2HB ASN 59 HB1 ASN 59 9.340 8.145 -5.240 1108 1HD2 ASN 59 HD21 ASN 59 8.000 10.553 -7.352 1109 2HD2 ASN 59 HD22 ASN 59 9.510 11.139 -7.964 1110 H PHE 60 HN PHE 60 5.924 6.938 -5.914 1111 HA PHE 60 HA PHE 60 6.456 5.033 -3.919 1112 1HB PHE 60 HB2 PHE 60 4.334 6.385 -4.198 1113 2HB PHE 60 HB1 PHE 60 3.895 5.294 -5.507 1114 HD1 PHE 60 HD2 PHE 60 4.532 5.497 -1.877 1115 HD2 PHE 60 HD1 PHE 60 2.950 3.185 -5.080 1116 HE1 PHE 60 HE2 PHE 60 3.488 3.967 -0.256 1117 HE2 PHE 60 HE1 PHE 60 1.904 1.655 -3.466 1118 HZ PHE 60 HZ PHE 60 2.174 2.044 -1.050 1119 H THR 61 HN THR 61 5.166 4.621 -7.213 1120 HA THR 61 HA THR 61 5.259 1.809 -7.189 1121 HB THR 61 HB THR 61 5.101 1.973 -9.673 1122 HG1 THR 61 HG1 THR 61 5.994 4.485 -9.190 1123 1HG2 THR 61 HG21 THR 61 3.226 3.707 -8.063 1124 2HG2 THR 61 HG22 THR 61 3.083 1.970 -8.343 1125 3HG2 THR 61 HG23 THR 61 2.892 3.100 -9.685 1126 H LYS 62 HN LYS 62 7.630 4.255 -8.091 1127 HA LYS 62 HA LYS 62 9.590 2.549 -9.155 1128 1HB LYS 62 HB2 LYS 62 9.735 4.972 -9.360 1129 2HB LYS 62 HB1 LYS 62 9.885 5.136 -7.616 1130 1HG LYS 62 HG2 LYS 62 12.033 5.411 -8.683 1131 2HG LYS 62 HG1 LYS 62 12.022 3.948 -7.696 1132 1HD LYS 62 HD2 LYS 62 13.105 3.415 -9.748 1133 2HD LYS 62 HD1 LYS 62 11.514 2.656 -9.775 1134 1HE LYS 62 HE2 LYS 62 11.915 3.630 -11.924 1135 2HE LYS 62 HE1 LYS 62 10.686 4.592 -11.106 1136 1HZ LYS 62 HZ1 LYS 62 12.282 6.017 -12.170 1137 2HZ LYS 62 HZ2 LYS 62 13.566 5.267 -11.358 1138 3HZ LYS 62 HZ3 LYS 62 12.432 6.181 -10.488 1139 H ALA 63 HN ALA 63 9.051 3.662 -5.825 1140 HA ALA 63 HA ALA 63 11.264 2.322 -4.699 1141 1HB ALA 63 HB1 ALA 63 10.101 4.193 -3.613 1142 2HB ALA 63 HB2 ALA 63 10.247 2.788 -2.556 1143 3HB ALA 63 HB3 ALA 63 8.707 3.147 -3.336 1144 H LEU 64 HN LEU 64 7.945 1.331 -5.285 1145 HA LEU 64 HA LEU 64 7.939 -1.032 -3.781 1146 1HB LEU 64 HB2 LEU 64 6.455 -0.234 -6.274 1147 2HB LEU 64 HB1 LEU 64 6.199 -1.782 -5.489 1148 HG LEU 64 HG LEU 64 5.769 0.897 -4.156 1149 1HD1 LEU 64 HD11 LEU 64 4.172 0.578 -5.950 1150 2HD1 LEU 64 HD12 LEU 64 3.383 0.382 -4.384 1151 3HD1 LEU 64 HD13 LEU 64 3.791 -1.036 -5.349 1152 1HD2 LEU 64 HD21 LEU 64 4.611 -0.452 -2.459 1153 2HD2 LEU 64 HD22 LEU 64 6.316 -0.878 -2.588 1154 3HD2 LEU 64 HD23 LEU 64 5.092 -1.919 -3.312 1155 H LYS 65 HN LYS 65 8.519 -0.661 -7.291 1156 HA LYS 65 HA LYS 65 9.259 -3.326 -7.737 1157 1HB LYS 65 HB2 LYS 65 10.021 -0.817 -9.236 1158 2HB LYS 65 HB1 LYS 65 10.391 -2.439 -9.800 1159 1HG LYS 65 HG2 LYS 65 7.989 -2.956 -9.836 1160 2HG LYS 65 HG1 LYS 65 7.645 -1.302 -9.331 1161 1HD LYS 65 HD2 LYS 65 7.364 -1.519 -11.728 1162 2HD LYS 65 HD1 LYS 65 8.739 -0.473 -11.374 1163 1HE LYS 65 HE2 LYS 65 9.195 -2.055 -13.209 1164 2HE LYS 65 HE1 LYS 65 10.278 -2.275 -11.837 1165 1HZ LYS 65 HZ1 LYS 65 9.153 -4.218 -11.186 1166 2HZ LYS 65 HZ2 LYS 65 9.322 -4.358 -12.865 1167 3HZ LYS 65 HZ3 LYS 65 7.829 -3.911 -12.204 1168 H GLN 66 HN GLN 66 11.166 -0.509 -6.858 1169 HA GLN 66 HA GLN 66 13.734 -1.571 -6.945 1170 1HB GLN 66 HB2 GLN 66 13.178 0.807 -6.500 1171 2HB GLN 66 HB1 GLN 66 12.584 0.358 -4.909 1172 1HG GLN 66 HG2 GLN 66 14.717 1.216 -4.534 1173 2HG GLN 66 HG1 GLN 66 14.927 -0.535 -4.469 1174 1HE2 GLN 66 HE21 GLN 66 15.479 2.355 -6.311 1175 2HE2 GLN 66 HE22 GLN 66 16.681 1.699 -7.373 1176 H SER 67 HN SER 67 11.551 -1.389 -4.141 1177 HA SER 67 HA SER 67 13.266 -2.765 -2.395 1178 1HB SER 67 HB2 SER 67 10.267 -2.424 -2.190 1179 2HB SER 67 HB1 SER 67 11.372 -2.801 -0.867 1180 HG SER 67 HG SER 67 11.000 -0.400 -2.266 1181 H VAL 68 HN VAL 68 10.595 -3.909 -4.428 1182 HA VAL 68 HA VAL 68 10.432 -6.511 -3.372 1183 HB VAL 68 HB VAL 68 9.816 -5.516 -6.163 1184 1HG1 VAL 68 HG11 VAL 68 10.227 -7.915 -6.244 1185 2HG1 VAL 68 HG12 VAL 68 8.508 -7.578 -6.443 1186 3HG1 VAL 68 HG13 VAL 68 9.117 -8.167 -4.897 1187 1HG2 VAL 68 HG21 VAL 68 8.438 -4.506 -4.458 1188 2HG2 VAL 68 HG22 VAL 68 8.073 -6.088 -3.769 1189 3HG2 VAL 68 HG23 VAL 68 7.478 -5.667 -5.375 1190 H LEU 69 HN LEU 69 12.542 -5.130 -5.846 1191 HA LEU 69 HA LEU 69 13.690 -7.655 -6.563 1192 1HB LEU 69 HB2 LEU 69 14.586 -4.827 -7.094 1193 2HB LEU 69 HB1 LEU 69 15.394 -6.244 -7.734 1194 HG LEU 69 HG LEU 69 12.546 -5.431 -8.330 1195 1HD1 LEU 69 HD11 LEU 69 13.379 -4.944 -10.563 1196 2HD1 LEU 69 HD12 LEU 69 15.015 -5.368 -10.061 1197 3HD1 LEU 69 HD13 LEU 69 14.214 -3.962 -9.359 1198 1HD2 LEU 69 HD21 LEU 69 12.594 -7.243 -9.961 1199 2HD2 LEU 69 HD22 LEU 69 12.857 -7.857 -8.326 1200 3HD2 LEU 69 HD23 LEU 69 14.218 -7.684 -9.434 1201 H GLU 70 HN GLU 70 14.509 -5.084 -4.315 1202 HA GLU 70 HA GLU 70 17.158 -6.093 -3.842 1203 1HB GLU 70 HB2 GLU 70 15.610 -4.016 -2.290 1204 2HB GLU 70 HB1 GLU 70 17.341 -4.307 -2.204 1205 1HG GLU 70 HG2 GLU 70 15.836 -3.331 -4.619 1206 2HG GLU 70 HG1 GLU 70 16.834 -2.348 -3.550 1207 H HIS 71 HN HIS 71 14.032 -6.477 -2.318 1208 HA HIS 71 HA HIS 71 15.170 -7.368 0.171 1209 1HB HIS 71 HB2 HIS 71 12.394 -6.958 -0.827 1210 2HB HIS 71 HB1 HIS 71 12.640 -8.000 0.572 1211 HD1 HIS 71 HD1 HIS 71 13.492 -6.888 2.753 1212 HD2 HIS 71 HD2 HIS 71 12.807 -4.231 -0.376 1213 HE1 HIS 71 HE1 HIS 71 13.506 -4.594 3.789 1214 HE2 HIS 71 HE2 HIS 71 12.893 -3.021 1.913 1215 H HIS 72 HN HIS 72 14.179 -8.979 -2.756 1216 HA HIS 72 HA HIS 72 14.011 -11.509 -1.352 1217 1HB HIS 72 HB2 HIS 72 13.464 -12.566 -3.412 1218 2HB HIS 72 HB1 HIS 72 12.563 -11.063 -3.347 1219 HD1 HIS 72 HD1 HIS 72 12.921 -9.411 -5.225 1220 HD2 HIS 72 HD2 HIS 72 15.552 -12.629 -5.366 1221 HE1 HIS 72 HE1 HIS 72 13.991 -9.316 -7.495 1222 HE2 HIS 72 HE2 HIS 72 15.416 -11.383 -7.634 1223 H HIS 73 HN HIS 73 15.518 -13.087 -1.291 1224 HA HIS 73 HA HIS 73 18.214 -12.026 -1.617 1225 1HB HIS 73 HB2 HIS 73 17.118 -14.352 -0.036 1226 2HB HIS 73 HB1 HIS 73 18.837 -14.003 -0.170 1227 HD1 HIS 73 HD1 HIS 73 19.786 -12.317 1.402 1228 HD2 HIS 73 HD2 HIS 73 15.629 -12.278 1.362 1229 HE1 HIS 73 HE1 HIS 73 19.103 -10.802 3.291 1230 HE2 HIS 73 HE2 HIS 73 16.591 -10.962 3.377 1231 H HIS 74 HN HIS 74 19.930 -13.784 -1.998 1232 HA HIS 74 HA HIS 74 19.142 -15.891 -3.815 1233 1HB HIS 74 HB2 HIS 74 20.600 -15.209 -5.636 1234 2HB HIS 74 HB1 HIS 74 19.437 -13.931 -5.319 1235 HD1 HIS 74 HD1 HIS 74 22.993 -14.561 -5.709 1236 HD2 HIS 74 HD2 HIS 74 20.625 -11.684 -3.854 1237 HE1 HIS 74 HE1 HIS 74 24.501 -12.590 -5.310 1238 HE2 HIS 74 HE2 HIS 74 23.014 -10.806 -4.335 1239 H HIS 75 HN HIS 75 21.192 -17.220 -4.415 1240 HA HIS 75 HA HIS 75 22.435 -17.672 -1.843 1241 1HB HIS 75 HB2 HIS 75 23.360 -19.753 -2.912 1242 2HB HIS 75 HB1 HIS 75 21.610 -19.645 -2.848 1243 HD1 HIS 75 HD1 HIS 75 20.421 -20.124 -4.974 1244 HD2 HIS 75 HD2 HIS 75 24.411 -19.137 -5.608 1245 HE1 HIS 75 HE1 HIS 75 20.846 -20.546 -7.417 1246 HE2 HIS 75 HE2 HIS 75 23.310 -20.109 -7.732 1247 H HIS 76 HN HIS 76 23.556 -15.523 -2.175 1248 HA HIS 76 HA HIS 76 26.300 -16.062 -2.265 1249 1HB HIS 76 HB2 HIS 76 25.884 -16.061 -4.740 1250 2HB HIS 76 HB1 HIS 76 25.376 -14.380 -4.606 1251 HD1 HIS 76 HD1 HIS 76 28.426 -16.571 -4.252 1252 HD2 HIS 76 HD2 HIS 76 27.437 -12.539 -4.503 1253 HE1 HIS 76 HE1 HIS 76 30.607 -15.355 -4.541 1254 HE2 HIS 76 HE2 HIS 76 30.002 -12.906 -4.505 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -17.904 -10.348 -17.849 2 2H MET 1 HT2 MET 1 -18.379 -11.967 -18.020 3 3H MET 1 HT3 MET 1 -16.750 -11.541 -18.203 4 HA MET 1 HA MET 1 -16.560 -10.963 -15.915 5 1HB MET 1 HB2 MET 1 -19.516 -11.543 -15.902 6 2HB MET 1 HB1 MET 1 -18.561 -11.576 -14.427 7 1HG MET 1 HG2 MET 1 -18.875 -9.213 -16.265 8 2HG MET 1 HG1 MET 1 -19.717 -9.449 -14.734 9 1HE MET 1 HE1 MET 1 -18.192 -6.760 -15.194 10 2HE MET 1 HE2 MET 1 -17.324 -6.612 -13.665 11 3HE MET 1 HE3 MET 1 -18.981 -7.217 -13.686 12 HA PRO 2 HA PRO 2 -15.851 -15.375 -15.591 13 1HB PRO 2 HB2 PRO 2 -13.843 -15.264 -13.824 14 2HB PRO 2 HB1 PRO 2 -13.616 -14.750 -15.499 15 1HG PRO 2 HG2 PRO 2 -13.978 -13.101 -13.044 16 2HG PRO 2 HG1 PRO 2 -12.958 -12.797 -14.459 17 1HD PRO 2 HD2 PRO 2 -15.469 -11.669 -13.982 18 2HD PRO 2 HD1 PRO 2 -14.636 -11.715 -15.547 19 H ILE 3 HN ILE 3 -15.269 -16.714 -13.355 20 HA ILE 3 HA ILE 3 -17.615 -16.590 -11.763 21 HB ILE 3 HB ILE 3 -15.013 -18.029 -11.210 22 1HG1 ILE 3 HG12 ILE 3 -16.071 -18.758 -13.290 23 2HG1 ILE 3 HG11 ILE 3 -16.189 -20.012 -12.064 24 1HG2 ILE 3 HG21 ILE 3 -16.327 -19.420 -9.674 25 2HG2 ILE 3 HG22 ILE 3 -17.730 -18.387 -9.951 26 3HG2 ILE 3 HG23 ILE 3 -16.292 -17.732 -9.167 27 1HD1 ILE 3 HD11 ILE 3 -18.247 -19.788 -13.355 28 2HD1 ILE 3 HD12 ILE 3 -18.392 -18.110 -12.827 29 3HD1 ILE 3 HD13 ILE 3 -18.500 -19.417 -11.649 30 H VAL 4 HN VAL 4 -17.953 -14.782 -10.643 31 HA VAL 4 HA VAL 4 -15.865 -13.331 -9.334 32 HB VAL 4 HB VAL 4 -18.857 -13.005 -9.021 33 1HG1 VAL 4 HG11 VAL 4 -16.617 -11.062 -8.461 34 2HG1 VAL 4 HG12 VAL 4 -17.513 -11.960 -7.239 35 3HG1 VAL 4 HG13 VAL 4 -18.342 -10.768 -8.239 36 1HG2 VAL 4 HG21 VAL 4 -18.674 -11.238 -10.693 37 2HG2 VAL 4 HG22 VAL 4 -18.170 -12.789 -11.362 38 3HG2 VAL 4 HG23 VAL 4 -16.960 -11.593 -10.897 39 H SER 5 HN SER 5 -14.910 -14.431 -7.739 40 HA SER 5 HA SER 5 -16.580 -15.093 -5.405 41 1HB SER 5 HB2 SER 5 -14.130 -16.628 -6.317 42 2HB SER 5 HB1 SER 5 -15.163 -17.018 -4.941 43 HG SER 5 HG SER 5 -16.790 -16.879 -6.943 44 H LYS 6 HN LYS 6 -15.251 -12.645 -6.006 45 HA LYS 6 HA LYS 6 -12.719 -12.733 -4.587 46 1HB LYS 6 HB2 LYS 6 -13.235 -11.443 -6.809 47 2HB LYS 6 HB1 LYS 6 -13.866 -10.212 -5.720 48 1HG LYS 6 HG2 LYS 6 -11.685 -10.201 -4.549 49 2HG LYS 6 HG1 LYS 6 -11.071 -11.326 -5.759 50 1HD LYS 6 HD2 LYS 6 -11.635 -9.631 -7.507 51 2HD LYS 6 HD1 LYS 6 -12.036 -8.505 -6.207 52 1HE LYS 6 HE2 LYS 6 -9.802 -8.028 -6.840 53 2HE LYS 6 HE1 LYS 6 -9.716 -8.893 -5.306 54 1HZ LYS 6 HZ1 LYS 6 -9.497 -10.945 -6.916 55 2HZ LYS 6 HZ2 LYS 6 -8.147 -10.016 -6.486 56 3HZ LYS 6 HZ3 LYS 6 -8.909 -9.763 -7.981 57 H TYR 7 HN TYR 7 -14.054 -13.305 -2.645 58 HA TYR 7 HA TYR 7 -14.456 -12.804 -0.476 59 1HB TYR 7 HB2 TYR 7 -13.539 -9.978 -0.913 60 2HB TYR 7 HB1 TYR 7 -13.293 -11.022 0.485 61 HD1 TYR 7 HD1 TYR 7 -11.759 -13.106 0.105 62 HD2 TYR 7 HD2 TYR 7 -11.855 -9.725 -2.468 63 HE1 TYR 7 HE1 TYR 7 -9.566 -13.743 -0.814 64 HE2 TYR 7 HE2 TYR 7 -9.672 -10.350 -3.391 65 HH TYR 7 HH TYR 7 -7.932 -11.691 -3.228 66 H SER 8 HN SER 8 -15.399 -10.781 0.955 67 HA SER 8 HA SER 8 -17.981 -10.166 -0.302 68 1HB SER 8 HB2 SER 8 -17.940 -11.390 1.893 69 2HB SER 8 HB1 SER 8 -17.205 -9.962 2.618 70 HG SER 8 HG SER 8 -19.812 -10.360 1.661 71 H ASN 9 HN ASN 9 -18.542 -8.115 -0.760 72 HA ASN 9 HA ASN 9 -16.610 -6.105 -0.913 73 1HB ASN 9 HB2 ASN 9 -19.624 -5.932 -1.047 74 2HB ASN 9 HB1 ASN 9 -18.570 -4.552 -1.336 75 1HD2 ASN 9 HD21 ASN 9 -19.827 -7.500 -2.579 76 2HD2 ASN 9 HD22 ASN 9 -19.146 -7.379 -4.161 77 H GLU 10 HN GLU 10 -19.132 -6.672 1.497 78 HA GLU 10 HA GLU 10 -18.863 -4.344 2.994 79 1HB GLU 10 HB2 GLU 10 -20.656 -5.942 3.400 80 2HB GLU 10 HB1 GLU 10 -19.497 -7.145 3.947 81 1HG GLU 10 HG2 GLU 10 -18.916 -5.734 5.848 82 2HG GLU 10 HG1 GLU 10 -20.055 -4.509 5.296 83 H ARG 11 HN ARG 11 -16.998 -7.345 3.136 84 HA ARG 11 HA ARG 11 -15.522 -6.538 5.443 85 1HB ARG 11 HB2 ARG 11 -15.913 -8.921 4.791 86 2HB ARG 11 HB1 ARG 11 -14.799 -8.688 3.449 87 1HG ARG 11 HG2 ARG 11 -12.994 -8.227 4.965 88 2HG ARG 11 HG1 ARG 11 -14.088 -8.300 6.345 89 1HD ARG 11 HD2 ARG 11 -14.576 -10.669 5.725 90 2HD ARG 11 HD1 ARG 11 -13.304 -10.551 4.507 91 HE ARG 11 HE ARG 11 -12.630 -9.924 7.287 92 1HH1 ARG 11 HH11 ARG 11 -12.405 -12.131 4.577 93 2HH1 ARG 11 HH12 ARG 11 -11.051 -12.997 5.237 94 1HH2 ARG 11 HH21 ARG 11 -10.904 -11.050 8.169 95 2HH2 ARG 11 HH22 ARG 11 -10.193 -12.384 7.295 96 H VAL 12 HN VAL 12 -14.995 -6.436 1.961 97 HA VAL 12 HA VAL 12 -12.311 -5.620 1.969 98 HB VAL 12 HB VAL 12 -14.480 -4.890 -0.013 99 1HG1 VAL 12 HG11 VAL 12 -12.647 -4.490 -1.586 100 2HG1 VAL 12 HG12 VAL 12 -11.478 -4.795 -0.302 101 3HG1 VAL 12 HG13 VAL 12 -12.556 -3.402 -0.201 102 1HG2 VAL 12 HG21 VAL 12 -12.465 -7.136 -0.044 103 2HG2 VAL 12 HG22 VAL 12 -13.610 -6.759 -1.331 104 3HG2 VAL 12 HG23 VAL 12 -14.198 -7.302 0.241 105 H GLU 13 HN GLU 13 -15.308 -3.709 2.037 106 HA GLU 13 HA GLU 13 -14.119 -1.169 2.072 107 1HB GLU 13 HB2 GLU 13 -16.712 -2.017 3.378 108 2HB GLU 13 HB1 GLU 13 -16.242 -0.367 2.997 109 1HG GLU 13 HG2 GLU 13 -16.243 -0.920 0.617 110 2HG GLU 13 HG1 GLU 13 -16.734 -2.567 1.007 111 H LYS 14 HN LYS 14 -14.836 -3.457 4.635 112 HA LYS 14 HA LYS 14 -14.270 -1.751 6.809 113 1HB LYS 14 HB2 LYS 14 -14.519 -4.695 6.451 114 2HB LYS 14 HB1 LYS 14 -13.775 -4.089 7.925 115 1HG LYS 14 HG2 LYS 14 -15.740 -2.786 8.419 116 2HG LYS 14 HG1 LYS 14 -16.492 -3.313 6.910 117 1HD LYS 14 HD2 LYS 14 -16.411 -5.636 7.689 118 2HD LYS 14 HD1 LYS 14 -15.679 -5.096 9.202 119 1HE LYS 14 HE2 LYS 14 -17.661 -3.812 9.731 120 2HE LYS 14 HE1 LYS 14 -18.388 -4.252 8.185 121 1HZ LYS 14 HZ1 LYS 14 -17.691 -6.116 10.389 122 2HZ LYS 14 HZ2 LYS 14 -18.333 -6.575 8.889 123 3HZ LYS 14 HZ3 LYS 14 -19.255 -5.623 9.948 124 H ILE 15 HN ILE 15 -12.243 -4.081 5.050 125 HA ILE 15 HA ILE 15 -9.986 -3.798 6.697 126 HB ILE 15 HB ILE 15 -10.040 -4.458 3.746 127 1HG1 ILE 15 HG12 ILE 15 -10.018 -6.293 6.156 128 2HG1 ILE 15 HG11 ILE 15 -11.440 -5.942 5.179 129 1HG2 ILE 15 HG21 ILE 15 -7.872 -5.526 4.169 130 2HG2 ILE 15 HG22 ILE 15 -7.922 -4.959 5.837 131 3HG2 ILE 15 HG23 ILE 15 -7.821 -3.797 4.516 132 1HD1 ILE 15 HD11 ILE 15 -10.387 -6.969 3.252 133 2HD1 ILE 15 HD12 ILE 15 -10.438 -8.091 4.612 134 3HD1 ILE 15 HD13 ILE 15 -8.929 -7.278 4.196 135 H ILE 16 HN ILE 16 -10.919 -2.106 3.722 136 HA ILE 16 HA ILE 16 -8.701 -0.392 3.569 137 HB ILE 16 HB ILE 16 -11.531 0.148 2.646 138 1HG1 ILE 16 HG12 ILE 16 -9.179 -1.014 1.137 139 2HG1 ILE 16 HG11 ILE 16 -10.555 -1.940 1.728 140 1HG2 ILE 16 HG21 ILE 16 -8.918 1.403 1.812 141 2HG2 ILE 16 HG22 ILE 16 -10.198 2.179 2.744 142 3HG2 ILE 16 HG23 ILE 16 -10.486 1.712 1.067 143 1HD1 ILE 16 HD11 ILE 16 -12.034 -0.644 0.270 144 2HD1 ILE 16 HD12 ILE 16 -10.778 -1.489 -0.636 145 3HD1 ILE 16 HD13 ILE 16 -10.639 0.245 -0.339 146 H GLN 17 HN GLN 17 -11.875 0.038 5.111 147 HA GLN 17 HA GLN 17 -11.448 2.666 6.017 148 1HB GLN 17 HB2 GLN 17 -13.678 1.739 5.934 149 2HB GLN 17 HB1 GLN 17 -13.247 0.486 7.089 150 1HG GLN 17 HG2 GLN 17 -14.583 2.240 8.117 151 2HG GLN 17 HG1 GLN 17 -12.976 2.148 8.834 152 1HE2 GLN 17 HE21 GLN 17 -13.667 3.626 5.726 153 2HE2 GLN 17 HE22 GLN 17 -13.312 5.249 6.214 154 H ASP 18 HN ASP 18 -11.044 -0.448 7.687 155 HA ASP 18 HA ASP 18 -10.167 0.493 10.151 156 1HB ASP 18 HB2 ASP 18 -10.699 -1.917 9.298 157 2HB ASP 18 HB1 ASP 18 -8.981 -1.978 8.926 158 H LEU 19 HN LEU 19 -8.247 -0.254 7.246 159 HA LEU 19 HA LEU 19 -5.721 0.360 8.326 160 1HB LEU 19 HB2 LEU 19 -6.731 0.523 5.488 161 2HB LEU 19 HB1 LEU 19 -5.047 0.713 5.938 162 HG LEU 19 HG LEU 19 -6.676 -1.784 6.421 163 1HD1 LEU 19 HD11 LEU 19 -5.381 -2.752 4.594 164 2HD1 LEU 19 HD12 LEU 19 -4.619 -1.188 4.300 165 3HD1 LEU 19 HD13 LEU 19 -6.353 -1.389 4.039 166 1HD2 LEU 19 HD21 LEU 19 -3.727 -1.215 6.707 167 2HD2 LEU 19 HD22 LEU 19 -4.486 -2.797 6.879 168 3HD2 LEU 19 HD23 LEU 19 -4.869 -1.507 8.019 169 H LEU 20 HN LEU 20 -8.039 2.367 6.527 170 HA LEU 20 HA LEU 20 -6.479 4.722 6.535 171 1HB LEU 20 HB2 LEU 20 -9.465 4.338 6.351 172 2HB LEU 20 HB1 LEU 20 -8.669 5.886 6.142 173 HG LEU 20 HG LEU 20 -8.257 3.454 4.400 174 1HD1 LEU 20 HD11 LEU 20 -9.678 6.054 3.843 175 2HD1 LEU 20 HD12 LEU 20 -10.455 4.493 4.112 176 3HD1 LEU 20 HD13 LEU 20 -9.429 4.736 2.698 177 1HD2 LEU 20 HD21 LEU 20 -6.241 4.802 4.555 178 2HD2 LEU 20 HD22 LEU 20 -7.165 6.255 4.171 179 3HD2 LEU 20 HD23 LEU 20 -6.984 4.981 2.964 180 H ASP 21 HN ASP 21 -8.814 3.411 8.806 181 HA ASP 21 HA ASP 21 -9.144 5.555 10.540 182 1HB ASP 21 HB2 ASP 21 -10.290 3.291 10.633 183 2HB ASP 21 HB1 ASP 21 -8.840 2.685 11.423 184 H VAL 22 HN VAL 22 -6.618 3.064 10.509 185 HA VAL 22 HA VAL 22 -5.182 3.972 12.750 186 HB VAL 22 HB VAL 22 -4.114 2.555 10.296 187 1HG1 VAL 22 HG11 VAL 22 -2.942 2.782 13.074 188 2HG1 VAL 22 HG12 VAL 22 -2.332 3.585 11.627 189 3HG1 VAL 22 HG13 VAL 22 -2.280 1.825 11.747 190 1HG2 VAL 22 HG21 VAL 22 -5.154 1.464 12.911 191 2HG2 VAL 22 HG22 VAL 22 -4.363 0.510 11.657 192 3HG2 VAL 22 HG23 VAL 22 -5.907 1.296 11.325 193 H LEU 23 HN LEU 23 -4.833 4.727 9.300 194 HA LEU 23 HA LEU 23 -2.583 6.401 9.522 195 1HB LEU 23 HB2 LEU 23 -4.810 6.446 7.485 196 2HB LEU 23 HB1 LEU 23 -3.268 7.261 7.309 197 HG LEU 23 HG LEU 23 -3.668 4.272 7.482 198 1HD1 LEU 23 HD11 LEU 23 -4.443 5.187 5.369 199 2HD1 LEU 23 HD12 LEU 23 -2.942 4.288 5.140 200 3HD1 LEU 23 HD13 LEU 23 -2.919 6.051 5.167 201 1HD2 LEU 23 HD21 LEU 23 -1.165 5.893 7.032 202 2HD2 LEU 23 HD22 LEU 23 -1.286 4.135 6.942 203 3HD2 LEU 23 HD23 LEU 23 -1.552 4.960 8.478 204 H VAL 24 HN VAL 24 -6.048 7.129 9.527 205 HA VAL 24 HA VAL 24 -5.736 9.944 9.790 206 HB VAL 24 HB VAL 24 -8.116 8.211 10.503 207 1HG1 VAL 24 HG11 VAL 24 -7.933 11.195 10.093 208 2HG1 VAL 24 HG12 VAL 24 -8.240 10.367 11.620 209 3HG1 VAL 24 HG13 VAL 24 -9.426 10.282 10.318 210 1HG2 VAL 24 HG21 VAL 24 -9.002 8.918 8.328 211 2HG2 VAL 24 HG22 VAL 24 -7.493 8.019 8.156 212 3HG2 VAL 24 HG23 VAL 24 -7.498 9.776 7.998 213 H LYS 25 HN LYS 25 -6.109 7.286 12.083 214 HA LYS 25 HA LYS 25 -6.468 8.730 14.439 215 1HB LYS 25 HB2 LYS 25 -6.603 6.256 14.196 216 2HB LYS 25 HB1 LYS 25 -4.850 6.201 14.089 217 1HG LYS 25 HG2 LYS 25 -4.690 7.123 16.354 218 2HG LYS 25 HG1 LYS 25 -6.451 7.149 16.457 219 1HD LYS 25 HD2 LYS 25 -4.708 4.711 16.112 220 2HD LYS 25 HD1 LYS 25 -5.584 5.179 17.571 221 1HE LYS 25 HE2 LYS 25 -7.702 4.914 16.406 222 2HE LYS 25 HE1 LYS 25 -6.851 4.507 14.916 223 1HZ LYS 25 HZ1 LYS 25 -6.842 2.940 17.441 224 2HZ LYS 25 HZ2 LYS 25 -5.914 2.565 16.069 225 3HZ LYS 25 HZ3 LYS 25 -7.609 2.514 15.988 226 H GLU 26 HN GLU 26 -3.486 7.854 12.750 227 HA GLU 26 HA GLU 26 -1.805 9.115 14.728 228 1HB GLU 26 HB2 GLU 26 -1.246 7.816 12.068 229 2HB GLU 26 HB1 GLU 26 0.011 8.582 13.030 230 1HG GLU 26 HG2 GLU 26 -1.720 6.292 13.924 231 2HG GLU 26 HG1 GLU 26 -0.059 6.162 13.342 232 H GLU 27 HN GLU 27 -3.608 10.230 12.125 233 HA GLU 27 HA GLU 27 -3.594 12.070 10.794 234 1HB GLU 27 HB2 GLU 27 -2.205 13.015 13.268 235 2HB GLU 27 HB1 GLU 27 -2.269 14.080 11.869 236 1HG GLU 27 HG2 GLU 27 -4.656 12.848 13.223 237 2HG GLU 27 HG1 GLU 27 -4.080 14.496 13.469 238 H VAL 28 HN VAL 28 -1.924 10.206 9.920 239 HA VAL 28 HA VAL 28 0.788 10.902 9.706 240 HB VAL 28 HB VAL 28 0.911 9.272 7.866 241 1HG1 VAL 28 HG11 VAL 28 0.225 7.313 9.141 242 2HG1 VAL 28 HG12 VAL 28 -0.757 8.333 10.191 243 3HG1 VAL 28 HG13 VAL 28 0.997 8.510 10.181 244 1HG2 VAL 28 HG21 VAL 28 -2.091 9.155 8.147 245 2HG2 VAL 28 HG22 VAL 28 -1.117 8.021 7.211 246 3HG2 VAL 28 HG23 VAL 28 -1.186 9.720 6.743 247 H THR 29 HN THR 29 1.903 12.131 8.344 248 HA THR 29 HA THR 29 0.587 13.878 6.494 249 HB THR 29 HB THR 29 3.355 13.945 6.025 250 HG1 THR 29 HG1 THR 29 2.931 13.864 8.834 251 1HG2 THR 29 HG21 THR 29 3.270 16.048 7.303 252 2HG2 THR 29 HG22 THR 29 1.682 15.597 7.924 253 3HG2 THR 29 HG23 THR 29 1.900 15.901 6.199 254 HA PRO 30 HA PRO 30 0.616 11.641 2.669 255 1HB PRO 30 HB2 PRO 30 2.461 13.780 1.677 256 2HB PRO 30 HB1 PRO 30 1.010 13.111 0.921 257 1HG PRO 30 HG2 PRO 30 0.926 15.469 2.148 258 2HG PRO 30 HG1 PRO 30 -0.422 14.325 2.286 259 1HD PRO 30 HD2 PRO 30 1.641 15.070 4.289 260 2HD PRO 30 HD1 PRO 30 -0.036 14.546 4.532 261 H ASP 31 HN ASP 31 3.829 13.076 3.276 262 HA ASP 31 HA ASP 31 5.345 11.125 1.964 263 1HB ASP 31 HB2 ASP 31 6.355 13.219 2.526 264 2HB ASP 31 HB1 ASP 31 6.020 12.993 4.239 265 H LEU 32 HN LEU 32 4.446 11.390 5.381 266 HA LEU 32 HA LEU 32 5.822 9.115 6.291 267 1HB LEU 32 HB2 LEU 32 4.987 10.861 7.786 268 2HB LEU 32 HB1 LEU 32 3.335 10.437 7.383 269 HG LEU 32 HG LEU 32 3.652 8.225 8.434 270 1HD1 LEU 32 HD11 LEU 32 6.352 9.309 9.233 271 2HD1 LEU 32 HD12 LEU 32 6.058 8.002 8.085 272 3HD1 LEU 32 HD13 LEU 32 5.633 7.795 9.783 273 1HD2 LEU 32 HD21 LEU 32 4.361 10.568 10.198 274 2HD2 LEU 32 HD22 LEU 32 3.717 9.020 10.747 275 3HD2 LEU 32 HD23 LEU 32 2.734 10.075 9.730 276 H ALA 33 HN ALA 33 2.515 9.568 5.132 277 HA ALA 33 HA ALA 33 1.545 6.994 5.673 278 1HB ALA 33 HB1 ALA 33 0.718 8.870 3.463 279 2HB ALA 33 HB2 ALA 33 0.100 8.888 5.113 280 3HB ALA 33 HB3 ALA 33 -0.216 7.502 4.071 281 H LEU 34 HN LEU 34 2.936 8.321 2.670 282 HA LEU 34 HA LEU 34 2.668 6.001 1.124 283 1HB LEU 34 HB2 LEU 34 4.759 8.169 0.920 284 2HB LEU 34 HB1 LEU 34 4.417 6.980 -0.320 285 HG LEU 34 HG LEU 34 2.510 9.108 0.655 286 1HD1 LEU 34 HD11 LEU 34 2.814 10.062 -1.582 287 2HD1 LEU 34 HD12 LEU 34 4.030 8.834 -1.934 288 3HD1 LEU 34 HD13 LEU 34 4.324 10.029 -0.671 289 1HD2 LEU 34 HD21 LEU 34 2.209 7.078 -1.556 290 2HD2 LEU 34 HD22 LEU 34 1.070 8.370 -1.174 291 3HD2 LEU 34 HD23 LEU 34 1.346 7.068 -0.016 292 H MET 35 HN MET 35 5.339 7.116 3.154 293 HA MET 35 HA MET 35 7.163 5.071 2.526 294 1HB MET 35 HB2 MET 35 7.857 7.116 3.630 295 2HB MET 35 HB1 MET 35 6.877 6.730 5.036 296 1HG MET 35 HG2 MET 35 8.296 4.899 5.608 297 2HG MET 35 HG1 MET 35 9.188 5.053 4.095 298 1HE MET 35 HE1 MET 35 8.246 6.922 7.448 299 2HE MET 35 HE2 MET 35 7.958 8.131 6.198 300 3HE MET 35 HE3 MET 35 9.288 8.341 7.340 301 H CYS 36 HN CYS 36 4.589 5.215 4.938 302 HA CYS 36 HA CYS 36 5.348 2.733 6.170 303 1HB CYS 36 HB2 CYS 36 2.753 4.282 6.364 304 2HB CYS 36 HB1 CYS 36 3.246 2.959 7.419 305 HG CYS 36 HG CYS 36 4.516 6.117 7.269 306 H LEU 37 HN LEU 37 2.790 3.764 3.928 307 HA LEU 37 HA LEU 37 1.458 1.303 3.743 308 1HB LEU 37 HB2 LEU 37 1.682 3.548 1.737 309 2HB LEU 37 HB1 LEU 37 0.582 2.192 1.574 310 HG LEU 37 HG LEU 37 0.522 4.166 3.857 311 1HD1 LEU 37 HD11 LEU 37 -1.461 5.081 2.783 312 2HD1 LEU 37 HD12 LEU 37 -1.258 3.969 1.428 313 3HD1 LEU 37 HD13 LEU 37 -0.056 5.227 1.726 314 1HD2 LEU 37 HD21 LEU 37 -1.670 3.152 4.311 315 2HD2 LEU 37 HD22 LEU 37 -0.354 1.987 4.462 316 3HD2 LEU 37 HD23 LEU 37 -1.380 1.978 3.027 317 H GLY 38 HN GLY 38 3.927 2.709 1.588 318 1HA GLY 38 HA2 GLY 38 4.001 0.577 -0.233 319 2HA GLY 38 HA1 GLY 38 5.294 1.740 0.019 320 H ASN 39 HN ASN 39 5.707 1.075 2.781 321 HA ASN 39 HA ASN 39 7.611 -0.999 2.464 322 1HB ASN 39 HB2 ASN 39 7.460 0.996 4.173 323 2HB ASN 39 HB1 ASN 39 6.580 -0.174 5.146 324 1HD2 ASN 39 HD21 ASN 39 9.633 0.757 3.862 325 2HD2 ASN 39 HD22 ASN 39 10.592 -0.402 4.723 326 H ALA 40 HN ALA 40 4.445 -0.828 4.052 327 HA ALA 40 HA ALA 40 4.408 -3.489 4.984 328 1HB ALA 40 HB1 ALA 40 2.913 -1.776 5.861 329 2HB ALA 40 HB2 ALA 40 1.998 -3.159 5.258 330 3HB ALA 40 HB3 ALA 40 2.092 -1.679 4.304 331 H VAL 41 HN VAL 41 3.219 -1.984 2.008 332 HA VAL 41 HA VAL 41 1.993 -4.264 0.912 333 HB VAL 41 HB VAL 41 3.249 -1.926 -0.540 334 1HG1 VAL 41 HG11 VAL 41 2.972 -3.846 -2.014 335 2HG1 VAL 41 HG12 VAL 41 1.825 -2.570 -2.425 336 3HG1 VAL 41 HG13 VAL 41 1.283 -3.990 -1.528 337 1HG2 VAL 41 HG21 VAL 41 1.478 -1.255 1.004 338 2HG2 VAL 41 HG22 VAL 41 0.384 -2.421 0.262 339 3HG2 VAL 41 HG23 VAL 41 0.975 -1.049 -0.673 340 H THR 42 HN THR 42 5.314 -3.010 0.604 341 HA THR 42 HA THR 42 6.028 -4.889 -1.417 342 HB THR 42 HB THR 42 7.160 -2.656 -0.997 343 HG1 THR 42 HG1 THR 42 8.218 -3.935 -2.414 344 1HG2 THR 42 HG21 THR 42 8.590 -4.238 1.143 345 2HG2 THR 42 HG22 THR 42 7.510 -2.870 1.413 346 3HG2 THR 42 HG23 THR 42 9.040 -2.631 0.570 347 H ASN 43 HN ASN 43 5.838 -5.062 2.004 348 HA ASN 43 HA ASN 43 7.650 -7.296 2.247 349 1HB ASN 43 HB2 ASN 43 7.119 -5.521 4.056 350 2HB ASN 43 HB1 ASN 43 5.654 -6.459 4.340 351 1HD2 ASN 43 HD21 ASN 43 6.281 -7.050 6.404 352 2HD2 ASN 43 HD22 ASN 43 7.552 -8.182 6.702 353 H ILE 44 HN ILE 44 4.219 -6.742 1.884 354 HA ILE 44 HA ILE 44 3.406 -9.416 2.475 355 HB ILE 44 HB ILE 44 1.985 -7.230 0.941 356 1HG1 ILE 44 HG12 ILE 44 2.386 -6.674 3.289 357 2HG1 ILE 44 HG11 ILE 44 0.674 -6.981 3.019 358 1HG2 ILE 44 HG21 ILE 44 -0.054 -8.540 1.232 359 2HG2 ILE 44 HG22 ILE 44 0.877 -9.833 1.991 360 3HG2 ILE 44 HG23 ILE 44 1.142 -9.435 0.292 361 1HD1 ILE 44 HD11 ILE 44 0.929 -9.216 3.966 362 2HD1 ILE 44 HD12 ILE 44 1.424 -7.963 5.105 363 3HD1 ILE 44 HD13 ILE 44 2.642 -8.902 4.241 364 H ILE 45 HN ILE 45 4.234 -7.650 -0.462 365 HA ILE 45 HA ILE 45 3.560 -9.658 -2.319 366 HB ILE 45 HB ILE 45 5.666 -7.497 -2.532 367 1HG1 ILE 45 HG12 ILE 45 2.804 -7.554 -3.513 368 2HG1 ILE 45 HG11 ILE 45 3.363 -6.683 -2.086 369 1HG2 ILE 45 HG21 ILE 45 4.350 -9.117 -4.711 370 2HG2 ILE 45 HG22 ILE 45 6.029 -9.253 -4.188 371 3HG2 ILE 45 HG23 ILE 45 5.462 -7.768 -4.954 372 1HD1 ILE 45 HD11 ILE 45 4.806 -5.313 -3.519 373 2HD1 ILE 45 HD12 ILE 45 3.103 -5.178 -3.954 374 3HD1 ILE 45 HD13 ILE 45 4.187 -6.165 -4.934 375 H ALA 46 HN ALA 46 6.082 -9.483 -0.026 376 HA ALA 46 HA ALA 46 7.987 -11.123 -1.409 377 1HB ALA 46 HB1 ALA 46 8.699 -9.596 0.348 378 2HB ALA 46 HB2 ALA 46 9.118 -11.258 0.763 379 3HB ALA 46 HB3 ALA 46 7.734 -10.480 1.531 380 H GLN 47 HN GLN 47 5.022 -11.747 0.026 381 HA GLN 47 HA GLN 47 5.696 -14.541 0.626 382 1HB GLN 47 HB2 GLN 47 3.098 -13.066 1.104 383 2HB GLN 47 HB1 GLN 47 3.520 -14.668 1.700 384 1HG GLN 47 HG2 GLN 47 5.323 -13.680 3.033 385 2HG GLN 47 HG1 GLN 47 4.853 -12.080 2.465 386 1HE2 GLN 47 HE21 GLN 47 4.396 -11.329 4.499 387 2HE2 GLN 47 HE22 GLN 47 3.028 -11.864 5.422 388 H VAL 48 HN VAL 48 5.060 -12.873 -1.993 389 HA VAL 48 HA VAL 48 3.140 -14.756 -3.171 390 HB VAL 48 HB VAL 48 4.217 -12.171 -4.325 391 1HG1 VAL 48 HG11 VAL 48 2.363 -12.375 -5.917 392 2HG1 VAL 48 HG12 VAL 48 1.931 -13.928 -5.204 393 3HG1 VAL 48 HG13 VAL 48 3.478 -13.736 -6.027 394 1HG2 VAL 48 HG21 VAL 48 2.006 -11.226 -3.784 395 2HG2 VAL 48 HG22 VAL 48 2.915 -11.694 -2.347 396 3HG2 VAL 48 HG23 VAL 48 1.601 -12.715 -2.931 397 HA PRO 49 HA PRO 49 6.614 -17.008 -4.885 398 1HB PRO 49 HB2 PRO 49 4.554 -17.689 -6.936 399 2HB PRO 49 HB1 PRO 49 5.636 -18.753 -6.028 400 1HG PRO 49 HG2 PRO 49 3.067 -18.577 -5.375 401 2HG PRO 49 HG1 PRO 49 4.316 -18.687 -4.120 402 1HD PRO 49 HD2 PRO 49 2.747 -16.315 -5.030 403 2HD PRO 49 HD1 PRO 49 3.303 -16.743 -3.400 404 H GLU 50 HN GLU 50 8.161 -16.393 -6.229 405 HA GLU 50 HA GLU 50 8.296 -14.109 -7.685 406 1HB GLU 50 HB2 GLU 50 9.731 -16.722 -8.080 407 2HB GLU 50 HB1 GLU 50 10.134 -15.285 -9.010 408 1HG GLU 50 HG2 GLU 50 10.048 -15.163 -6.038 409 2HG GLU 50 HG1 GLU 50 11.454 -15.844 -6.857 410 H SER 51 HN SER 51 7.029 -17.177 -8.872 411 HA SER 51 HA SER 51 7.028 -16.672 -11.606 412 1HB SER 51 HB2 SER 51 6.434 -18.840 -10.476 413 2HB SER 51 HB1 SER 51 4.860 -18.146 -10.091 414 HG SER 51 HG SER 51 4.247 -18.667 -12.022 415 H LYS 52 HN LYS 52 4.968 -15.345 -9.115 416 HA LYS 52 HA LYS 52 3.698 -13.705 -11.198 417 1HB LYS 52 HB2 LYS 52 1.620 -13.658 -9.821 418 2HB LYS 52 HB1 LYS 52 1.986 -15.233 -10.507 419 1HG LYS 52 HG2 LYS 52 2.670 -16.095 -8.428 420 2HG LYS 52 HG1 LYS 52 2.745 -14.490 -7.700 421 1HD LYS 52 HD2 LYS 52 0.763 -15.702 -6.949 422 2HD LYS 52 HD1 LYS 52 0.316 -14.281 -7.894 423 1HE LYS 52 HE2 LYS 52 -0.057 -15.697 -9.852 424 2HE LYS 52 HE1 LYS 52 0.409 -17.120 -8.918 425 1HZ LYS 52 HZ1 LYS 52 -1.474 -16.780 -7.471 426 2HZ LYS 52 HZ2 LYS 52 -2.010 -16.847 -9.075 427 3HZ LYS 52 HZ3 LYS 52 -1.899 -15.354 -8.283 428 H ARG 53 HN ARG 53 5.760 -13.660 -8.663 429 HA ARG 53 HA ARG 53 4.808 -11.562 -7.034 430 1HB ARG 53 HB2 ARG 53 6.787 -13.142 -6.594 431 2HB ARG 53 HB1 ARG 53 7.727 -12.054 -7.605 432 1HG ARG 53 HG2 ARG 53 7.087 -10.193 -6.069 433 2HG ARG 53 HG1 ARG 53 6.355 -11.398 -5.009 434 1HD ARG 53 HD2 ARG 53 9.246 -11.050 -5.739 435 2HD ARG 53 HD1 ARG 53 8.507 -11.005 -4.139 436 HE ARG 53 HE ARG 53 8.839 -13.431 -5.767 437 1HH1 ARG 53 HH11 ARG 53 8.572 -11.846 -2.688 438 2HH1 ARG 53 HH12 ARG 53 8.874 -13.282 -1.765 439 1HH2 ARG 53 HH21 ARG 53 9.278 -15.340 -4.566 440 2HH2 ARG 53 HH22 ARG 53 9.294 -15.264 -2.840 441 H VAL 54 HN VAL 54 6.974 -11.551 -9.838 442 HA VAL 54 HA VAL 54 7.331 -8.744 -9.921 443 HB VAL 54 HB VAL 54 7.542 -10.688 -12.229 444 1HG1 VAL 54 HG11 VAL 54 8.809 -7.989 -11.776 445 2HG1 VAL 54 HG12 VAL 54 7.532 -8.363 -12.933 446 3HG1 VAL 54 HG13 VAL 54 9.140 -9.061 -13.137 447 1HG2 VAL 54 HG21 VAL 54 8.898 -11.476 -10.386 448 2HG2 VAL 54 HG22 VAL 54 9.618 -9.877 -10.198 449 3HG2 VAL 54 HG23 VAL 54 9.936 -10.821 -11.654 450 H ALA 55 HN ALA 55 4.891 -10.895 -11.138 451 HA ALA 55 HA ALA 55 3.695 -9.071 -12.964 452 1HB ALA 55 HB1 ALA 55 2.515 -11.523 -11.658 453 2HB ALA 55 HB2 ALA 55 3.406 -11.490 -13.181 454 3HB ALA 55 HB3 ALA 55 1.853 -10.664 -13.049 455 H VAL 56 HN VAL 56 2.889 -10.101 -9.636 456 HA VAL 56 HA VAL 56 0.589 -8.447 -9.490 457 HB VAL 56 HB VAL 56 0.579 -8.894 -7.075 458 1HG1 VAL 56 HG11 VAL 56 0.268 -11.302 -7.200 459 2HG1 VAL 56 HG12 VAL 56 1.135 -11.347 -8.734 460 3HG1 VAL 56 HG13 VAL 56 -0.409 -10.502 -8.620 461 1HG2 VAL 56 HG21 VAL 56 3.178 -10.341 -7.574 462 2HG2 VAL 56 HG22 VAL 56 2.258 -10.359 -6.070 463 3HG2 VAL 56 HG23 VAL 56 2.976 -8.855 -6.644 464 H VAL 57 HN VAL 57 3.972 -7.926 -8.548 465 HA VAL 57 HA VAL 57 3.461 -5.478 -7.209 466 HB VAL 57 HB VAL 57 5.559 -6.728 -6.854 467 1HG1 VAL 57 HG11 VAL 57 6.029 -7.467 -9.107 468 2HG1 VAL 57 HG12 VAL 57 7.391 -6.535 -8.485 469 3HG1 VAL 57 HG13 VAL 57 6.271 -5.802 -9.633 470 1HG2 VAL 57 HG21 VAL 57 5.946 -3.921 -7.880 471 2HG2 VAL 57 HG22 VAL 57 7.057 -4.792 -6.823 472 3HG2 VAL 57 HG23 VAL 57 5.439 -4.380 -6.255 473 H ASP 58 HN ASP 58 4.153 -6.288 -10.581 474 HA ASP 58 HA ASP 58 4.425 -3.570 -11.400 475 1HB ASP 58 HB2 ASP 58 5.323 -5.511 -12.710 476 2HB ASP 58 HB1 ASP 58 3.663 -5.919 -13.138 477 H ASN 59 HN ASN 59 1.768 -5.927 -11.482 478 HA ASN 59 HA ASN 59 -0.174 -4.280 -12.645 479 1HB ASN 59 HB2 ASN 59 -0.364 -6.593 -10.728 480 2HB ASN 59 HB1 ASN 59 -1.804 -5.729 -11.254 481 1HD2 ASN 59 HD21 ASN 59 -0.993 -8.493 -11.700 482 2HD2 ASN 59 HD22 ASN 59 -0.981 -8.716 -13.413 483 H PHE 60 HN PHE 60 0.870 -4.617 -9.299 484 HA PHE 60 HA PHE 60 -1.044 -2.996 -8.067 485 1HB PHE 60 HB2 PHE 60 0.612 -4.427 -6.873 486 2HB PHE 60 HB1 PHE 60 1.876 -3.287 -7.324 487 HD1 PHE 60 HD2 PHE 60 -1.245 -3.637 -5.368 488 HD2 PHE 60 HD1 PHE 60 2.291 -1.374 -6.060 489 HE1 PHE 60 HE2 PHE 60 -1.686 -2.331 -3.331 490 HE2 PHE 60 HE1 PHE 60 1.856 -0.066 -4.026 491 HZ PHE 60 HZ PHE 60 -0.128 -0.543 -2.662 492 H THR 61 HN THR 61 2.185 -2.162 -9.285 493 HA THR 61 HA THR 61 1.951 0.603 -8.732 494 HB THR 61 HB THR 61 3.957 0.797 -10.252 495 HG1 THR 61 HG1 THR 61 3.221 -1.305 -11.374 496 1HG2 THR 61 HG21 THR 61 4.029 -1.271 -8.051 497 2HG2 THR 61 HG22 THR 61 4.223 0.474 -7.858 498 3HG2 THR 61 HG23 THR 61 5.443 -0.461 -8.727 499 H LYS 62 HN LYS 62 1.247 -1.362 -11.551 500 HA LYS 62 HA LYS 62 0.798 0.735 -13.390 501 1HB LYS 62 HB2 LYS 62 1.167 -1.511 -14.156 502 2HB LYS 62 HB1 LYS 62 -0.199 -2.110 -13.233 503 1HG LYS 62 HG2 LYS 62 -1.745 -1.006 -14.696 504 2HG LYS 62 HG1 LYS 62 -0.421 -0.213 -15.556 505 1HD LYS 62 HD2 LYS 62 0.371 -2.289 -16.415 506 2HD LYS 62 HD1 LYS 62 -0.708 -3.206 -15.363 507 1HE LYS 62 HE2 LYS 62 -1.650 -1.330 -17.523 508 2HE LYS 62 HE1 LYS 62 -1.441 -3.066 -17.750 509 1HZ LYS 62 HZ1 LYS 62 -3.712 -2.647 -17.249 510 2HZ LYS 62 HZ2 LYS 62 -3.321 -1.720 -15.885 511 3HZ LYS 62 HZ3 LYS 62 -3.027 -3.390 -15.887 512 H ALA 63 HN ALA 63 -1.355 -1.057 -11.218 513 HA ALA 63 HA ALA 63 -3.753 0.212 -11.968 514 1HB ALA 63 HB1 ALA 63 -4.643 -0.626 -9.842 515 2HB ALA 63 HB2 ALA 63 -3.008 -1.038 -9.324 516 3HB ALA 63 HB3 ALA 63 -3.732 -1.864 -10.705 517 H LEU 64 HN LEU 64 -1.321 1.000 -9.527 518 HA LEU 64 HA LEU 64 -2.625 3.099 -8.248 519 1HB LEU 64 HB2 LEU 64 0.281 2.545 -8.752 520 2HB LEU 64 HB1 LEU 64 -0.233 3.980 -7.887 521 HG LEU 64 HG LEU 64 -0.833 1.144 -7.041 522 1HD1 LEU 64 HD11 LEU 64 1.130 3.147 -5.938 523 2HD1 LEU 64 HD12 LEU 64 1.538 1.687 -6.840 524 3HD1 LEU 64 HD13 LEU 64 0.771 1.561 -5.256 525 1HD2 LEU 64 HD21 LEU 64 -2.551 2.732 -6.351 526 2HD2 LEU 64 HD22 LEU 64 -1.313 3.783 -5.662 527 3HD2 LEU 64 HD23 LEU 64 -1.603 2.188 -4.967 528 H LYS 65 HN LYS 65 -0.455 3.256 -11.085 529 HA LYS 65 HA LYS 65 -0.661 6.035 -11.427 530 1HB LYS 65 HB2 LYS 65 0.135 3.771 -13.199 531 2HB LYS 65 HB1 LYS 65 -0.169 5.340 -13.933 532 1HG LYS 65 HG2 LYS 65 1.520 6.373 -12.591 533 2HG LYS 65 HG1 LYS 65 1.735 4.903 -11.644 534 1HD LYS 65 HD2 LYS 65 2.716 3.761 -13.466 535 2HD LYS 65 HD1 LYS 65 2.217 5.008 -14.612 536 1HE LYS 65 HE2 LYS 65 4.115 5.536 -12.337 537 2HE LYS 65 HE1 LYS 65 4.659 5.010 -13.929 538 1HZ LYS 65 HZ1 LYS 65 4.039 6.980 -14.894 539 2HZ LYS 65 HZ2 LYS 65 4.555 7.521 -13.369 540 3HZ LYS 65 HZ3 LYS 65 2.900 7.354 -13.702 541 H GLN 66 HN GLN 66 -2.716 3.407 -12.528 542 HA GLN 66 HA GLN 66 -4.362 4.976 -14.218 543 1HB GLN 66 HB2 GLN 66 -4.342 2.513 -14.318 544 2HB GLN 66 HB1 GLN 66 -5.046 2.444 -12.706 545 1HG GLN 66 HG2 GLN 66 -7.045 3.608 -13.556 546 2HG GLN 66 HG1 GLN 66 -6.343 3.593 -15.172 547 1HE2 GLN 66 HE21 GLN 66 -8.824 2.398 -14.190 548 2HE2 GLN 66 HE22 GLN 66 -8.713 0.710 -14.539 549 H SER 67 HN SER 67 -4.723 3.940 -10.817 550 HA SER 67 HA SER 67 -7.231 5.237 -10.493 551 1HB SER 67 HB2 SER 67 -6.836 4.756 -8.044 552 2HB SER 67 HB1 SER 67 -6.778 3.356 -9.112 553 HG SER 67 HG SER 67 -4.945 4.123 -7.414 554 H VAL 68 HN VAL 68 -4.096 6.491 -10.567 555 HA VAL 68 HA VAL 68 -4.788 8.809 -8.957 556 HB VAL 68 HB VAL 68 -2.336 8.213 -10.628 557 1HG1 VAL 68 HG11 VAL 68 -2.749 10.620 -10.585 558 2HG1 VAL 68 HG12 VAL 68 -1.339 10.205 -9.609 559 3HG1 VAL 68 HG13 VAL 68 -2.876 10.576 -8.827 560 1HG2 VAL 68 HG21 VAL 68 -1.214 8.048 -8.456 561 2HG2 VAL 68 HG22 VAL 68 -2.516 6.868 -8.609 562 3HG2 VAL 68 HG23 VAL 68 -2.754 8.324 -7.643 563 H LEU 69 HN LEU 69 -4.435 7.915 -12.354 564 HA LEU 69 HA LEU 69 -4.807 10.644 -13.232 565 1HB LEU 69 HB2 LEU 69 -4.537 8.078 -14.792 566 2HB LEU 69 HB1 LEU 69 -4.613 9.678 -15.504 567 HG LEU 69 HG LEU 69 -2.442 8.680 -13.654 568 1HD1 LEU 69 HD11 LEU 69 -2.349 7.647 -15.860 569 2HD1 LEU 69 HD12 LEU 69 -1.015 8.779 -15.630 570 3HD1 LEU 69 HD13 LEU 69 -2.403 9.239 -16.616 571 1HD2 LEU 69 HD21 LEU 69 -2.739 11.304 -15.114 572 2HD2 LEU 69 HD22 LEU 69 -1.301 10.779 -14.239 573 3HD2 LEU 69 HD23 LEU 69 -2.808 11.061 -13.368 574 H GLU 70 HN GLU 70 -6.717 7.616 -13.407 575 HA GLU 70 HA GLU 70 -8.739 9.002 -14.974 576 1HB GLU 70 HB2 GLU 70 -9.787 6.840 -15.271 577 2HB GLU 70 HB1 GLU 70 -8.070 6.724 -15.609 578 1HG GLU 70 HG2 GLU 70 -8.233 4.872 -14.364 579 2HG GLU 70 HG1 GLU 70 -8.058 6.009 -13.029 580 H HIS 71 HN HIS 71 -8.168 8.386 -11.711 581 HA HIS 71 HA HIS 71 -10.851 8.063 -10.822 582 1HB HIS 71 HB2 HIS 71 -9.077 7.271 -9.429 583 2HB HIS 71 HB1 HIS 71 -8.307 8.849 -9.405 584 HD1 HIS 71 HD1 HIS 71 -8.805 10.273 -7.457 585 HD2 HIS 71 HD2 HIS 71 -11.630 7.256 -7.935 586 HE1 HIS 71 HE1 HIS 71 -10.291 10.405 -5.425 587 HE2 HIS 71 HE2 HIS 71 -11.877 8.460 -5.649 588 H HIS 72 HN HIS 72 -12.210 9.601 -11.498 589 HA HIS 72 HA HIS 72 -12.045 12.181 -10.199 590 1HB HIS 72 HB2 HIS 72 -10.830 12.530 -12.346 591 2HB HIS 72 HB1 HIS 72 -12.268 12.006 -13.217 592 HD1 HIS 72 HD1 HIS 72 -13.903 13.778 -13.817 593 HD2 HIS 72 HD2 HIS 72 -11.280 15.002 -10.831 594 HE1 HIS 72 HE1 HIS 72 -14.401 16.217 -13.432 595 HE2 HIS 72 HE2 HIS 72 -12.937 16.878 -11.480 596 H HIS 73 HN HIS 73 -14.058 13.046 -9.824 597 HA HIS 73 HA HIS 73 -16.283 11.250 -10.263 598 1HB HIS 73 HB2 HIS 73 -16.132 13.918 -8.846 599 2HB HIS 73 HB1 HIS 73 -17.558 12.893 -8.896 600 HD1 HIS 73 HD1 HIS 73 -15.491 13.802 -6.434 601 HD2 HIS 73 HD2 HIS 73 -16.193 10.045 -8.081 602 HE1 HIS 73 HE1 HIS 73 -14.780 12.143 -4.678 603 HE2 HIS 73 HE2 HIS 73 -15.443 9.893 -5.611 604 H HIS 74 HN HIS 74 -17.360 11.295 -12.121 605 HA HIS 74 HA HIS 74 -18.312 13.896 -13.066 606 1HB HIS 74 HB2 HIS 74 -16.431 13.293 -14.537 607 2HB HIS 74 HB1 HIS 74 -17.195 11.748 -14.888 608 HD1 HIS 74 HD1 HIS 74 -18.619 11.692 -16.930 609 HD2 HIS 74 HD2 HIS 74 -18.089 15.561 -15.488 610 HE1 HIS 74 HE1 HIS 74 -19.718 13.200 -18.614 611 HE2 HIS 74 HE2 HIS 74 -19.189 15.535 -17.837 612 H HIS 75 HN HIS 75 -18.659 10.699 -14.532 613 HA HIS 75 HA HIS 75 -20.505 9.534 -15.157 614 1HB HIS 75 HB2 HIS 75 -21.267 10.322 -12.343 615 2HB HIS 75 HB1 HIS 75 -22.258 9.250 -13.325 616 HD1 HIS 75 HD1 HIS 75 -20.448 8.687 -10.613 617 HD2 HIS 75 HD2 HIS 75 -19.842 7.355 -14.509 618 HE1 HIS 75 HE1 HIS 75 -19.047 6.608 -10.414 619 HE2 HIS 75 HE2 HIS 75 -18.897 5.699 -12.758 620 H HIS 76 HN HIS 76 -23.236 9.886 -14.519 621 HA HIS 76 HA HIS 76 -23.995 12.572 -15.204 622 1HB HIS 76 HB2 HIS 76 -25.343 11.728 -17.236 623 2HB HIS 76 HB1 HIS 76 -23.622 12.005 -17.446 624 HD1 HIS 76 HD1 HIS 76 -22.393 10.187 -18.551 625 HD2 HIS 76 HD2 HIS 76 -25.911 8.814 -16.803 626 HE1 HIS 76 HE1 HIS 76 -22.561 7.759 -19.174 627 HE2 HIS 76 HE2 HIS 76 -24.635 6.918 -18.013 628 1H MET 1 HT1 MET 1 22.286 11.687 16.438 629 2H MET 1 HT2 MET 1 20.806 11.393 17.204 630 3H MET 1 HT3 MET 1 22.254 11.203 18.061 631 HA MET 1 HA MET 1 21.151 13.227 18.692 632 1HB MET 1 HB2 MET 1 23.647 13.088 18.646 633 2HB MET 1 HB1 MET 1 23.620 13.818 17.046 634 1HG MET 1 HG2 MET 1 24.126 15.474 18.733 635 2HG MET 1 HG1 MET 1 22.571 15.817 17.974 636 1HE MET 1 HE1 MET 1 21.998 17.052 21.642 637 2HE MET 1 HE2 MET 1 21.936 17.480 19.932 638 3HE MET 1 HE3 MET 1 23.488 17.168 20.706 639 HA PRO 2 HA PRO 2 20.128 15.585 14.710 640 1HB PRO 2 HB2 PRO 2 21.333 14.537 12.356 641 2HB PRO 2 HB1 PRO 2 21.743 16.039 13.184 642 1HG PRO 2 HG2 PRO 2 23.397 13.816 12.973 643 2HG PRO 2 HG1 PRO 2 23.578 15.124 14.154 644 1HD PRO 2 HD2 PRO 2 22.350 12.421 14.490 645 2HD PRO 2 HD1 PRO 2 23.334 13.365 15.630 646 H ILE 3 HN ILE 3 18.315 15.288 13.387 647 HA ILE 3 HA ILE 3 17.352 12.543 13.297 648 HB ILE 3 HB ILE 3 15.177 13.573 12.586 649 1HG1 ILE 3 HG12 ILE 3 16.593 16.163 13.264 650 2HG1 ILE 3 HG11 ILE 3 16.106 15.665 11.648 651 1HG2 ILE 3 HG21 ILE 3 16.368 14.497 15.196 652 2HG2 ILE 3 HG22 ILE 3 15.578 12.951 14.888 653 3HG2 ILE 3 HG23 ILE 3 14.645 14.445 14.823 654 1HD1 ILE 3 HD11 ILE 3 14.255 16.218 13.956 655 2HD1 ILE 3 HD12 ILE 3 13.766 15.715 12.338 656 3HD1 ILE 3 HD13 ILE 3 14.551 17.276 12.578 657 H VAL 4 HN VAL 4 17.493 11.343 11.557 658 HA VAL 4 HA VAL 4 18.206 12.472 9.002 659 HB VAL 4 HB VAL 4 19.175 10.328 9.735 660 1HG1 VAL 4 HG11 VAL 4 17.314 9.419 10.982 661 2HG1 VAL 4 HG12 VAL 4 17.809 8.281 9.727 662 3HG1 VAL 4 HG13 VAL 4 16.362 9.267 9.506 663 1HG2 VAL 4 HG21 VAL 4 17.446 10.091 7.275 664 2HG2 VAL 4 HG22 VAL 4 18.826 9.062 7.658 665 3HG2 VAL 4 HG23 VAL 4 19.068 10.782 7.356 666 H SER 5 HN SER 5 15.361 11.458 10.634 667 HA SER 5 HA SER 5 13.796 11.699 8.162 668 1HB SER 5 HB2 SER 5 13.648 9.506 9.369 669 2HB SER 5 HB1 SER 5 12.982 10.364 10.759 670 HG SER 5 HG SER 5 11.703 9.446 8.635 671 H LYS 6 HN LYS 6 11.475 12.462 8.723 672 HA LYS 6 HA LYS 6 11.736 14.956 10.240 673 1HB LYS 6 HB2 LYS 6 9.555 14.062 8.334 674 2HB LYS 6 HB1 LYS 6 9.703 15.658 9.058 675 1HG LYS 6 HG2 LYS 6 11.725 16.088 7.842 676 2HG LYS 6 HG1 LYS 6 11.755 14.437 7.228 677 1HD LYS 6 HD2 LYS 6 10.921 15.679 5.438 678 2HD LYS 6 HD1 LYS 6 9.477 14.995 6.182 679 1HE LYS 6 HE2 LYS 6 10.467 17.739 6.898 680 2HE LYS 6 HE1 LYS 6 9.440 17.472 5.493 681 1HZ LYS 6 HZ1 LYS 6 8.779 16.975 8.344 682 2HZ LYS 6 HZ2 LYS 6 7.833 16.388 7.062 683 3HZ LYS 6 HZ3 LYS 6 8.033 18.055 7.269 684 H TYR 7 HN TYR 7 10.855 11.890 10.800 685 HA TYR 7 HA TYR 7 8.906 12.627 12.874 686 1HB TYR 7 HB2 TYR 7 8.581 9.995 11.497 687 2HB TYR 7 HB1 TYR 7 7.366 11.014 12.260 688 HD1 TYR 7 HD2 TYR 7 9.308 10.415 9.208 689 HD2 TYR 7 HD1 TYR 7 6.215 12.723 10.996 690 HE1 TYR 7 HE2 TYR 7 8.648 11.231 6.990 691 HE2 TYR 7 HE1 TYR 7 5.544 13.550 8.775 692 HH TYR 7 HH TYR 7 6.998 12.267 5.830 693 H SER 8 HN SER 8 8.598 10.501 14.303 694 HA SER 8 HA SER 8 11.232 9.629 15.103 695 1HB SER 8 HB2 SER 8 8.527 8.776 16.165 696 2HB SER 8 HB1 SER 8 10.090 8.510 16.936 697 HG SER 8 HG SER 8 10.065 11.047 16.577 698 H ASN 9 HN ASN 9 12.213 7.954 14.197 699 HA ASN 9 HA ASN 9 11.180 6.336 12.203 700 1HB ASN 9 HB2 ASN 9 13.486 5.847 14.090 701 2HB ASN 9 HB1 ASN 9 13.116 4.786 12.738 702 1HD2 ASN 9 HD21 ASN 9 15.029 5.171 11.711 703 2HD2 ASN 9 HD22 ASN 9 15.395 6.676 10.940 704 H GLU 10 HN GLU 10 11.444 5.641 15.666 705 HA GLU 10 HA GLU 10 10.547 2.999 15.620 706 1HB GLU 10 HB2 GLU 10 9.913 3.381 17.996 707 2HB GLU 10 HB1 GLU 10 11.546 3.904 17.608 708 1HG GLU 10 HG2 GLU 10 10.730 6.223 17.441 709 2HG GLU 10 HG1 GLU 10 9.128 5.667 17.924 710 H ARG 11 HN ARG 11 8.769 6.018 15.573 711 HA ARG 11 HA ARG 11 6.204 4.824 15.996 712 1HB ARG 11 HB2 ARG 11 6.640 7.174 16.568 713 2HB ARG 11 HB1 ARG 11 6.935 7.536 14.874 714 1HG ARG 11 HG2 ARG 11 4.625 6.950 14.343 715 2HG ARG 11 HG1 ARG 11 4.327 6.591 16.044 716 1HD ARG 11 HD2 ARG 11 4.941 8.935 16.585 717 2HD ARG 11 HD1 ARG 11 5.076 9.258 14.855 718 HE ARG 11 HE ARG 11 2.550 8.146 15.361 719 1HH1 ARG 11 HH11 ARG 11 4.339 11.090 16.065 720 2HH1 ARG 11 HH12 ARG 11 2.908 12.079 16.131 721 1HH2 ARG 11 HH21 ARG 11 0.704 9.428 15.464 722 2HH2 ARG 11 HH22 ARG 11 0.831 11.131 15.788 723 H VAL 12 HN VAL 12 8.074 5.877 13.200 724 HA VAL 12 HA VAL 12 6.176 5.542 11.189 725 HB VAL 12 HB VAL 12 9.143 4.968 11.022 726 1HG1 VAL 12 HG11 VAL 12 7.158 5.576 8.832 727 2HG1 VAL 12 HG12 VAL 12 7.914 4.013 9.141 728 3HG1 VAL 12 HG13 VAL 12 8.899 5.382 8.625 729 1HG2 VAL 12 HG21 VAL 12 7.616 7.503 10.432 730 2HG2 VAL 12 HG22 VAL 12 9.345 7.256 10.188 731 3HG2 VAL 12 HG23 VAL 12 8.672 7.230 11.817 732 H GLU 13 HN GLU 13 8.537 3.194 12.440 733 HA GLU 13 HA GLU 13 7.624 1.046 10.843 734 1HB GLU 13 HB2 GLU 13 9.129 0.972 13.463 735 2HB GLU 13 HB1 GLU 13 8.956 -0.376 12.346 736 1HG GLU 13 HG2 GLU 13 10.132 0.945 10.629 737 2HG GLU 13 HG1 GLU 13 10.376 2.222 11.820 738 H LYS 14 HN LYS 14 6.628 2.302 13.954 739 HA LYS 14 HA LYS 14 5.080 0.108 14.807 740 1HB LYS 14 HB2 LYS 14 5.711 2.148 16.178 741 2HB LYS 14 HB1 LYS 14 4.439 3.014 15.328 742 1HG LYS 14 HG2 LYS 14 2.894 1.130 16.140 743 2HG LYS 14 HG1 LYS 14 4.195 0.748 17.268 744 1HD LYS 14 HD2 LYS 14 2.749 2.190 18.444 745 2HD LYS 14 HD1 LYS 14 4.116 3.193 17.954 746 1HE LYS 14 HE2 LYS 14 2.129 4.440 17.527 747 2HE LYS 14 HE1 LYS 14 2.763 3.907 15.968 748 1HZ LYS 14 HZ1 LYS 14 1.158 2.014 16.113 749 2HZ LYS 14 HZ2 LYS 14 0.429 3.538 15.970 750 3HZ LYS 14 HZ3 LYS 14 0.471 2.760 17.471 751 H ILE 15 HN ILE 15 4.334 2.913 12.791 752 HA ILE 15 HA ILE 15 1.592 2.348 12.413 753 HB ILE 15 HB ILE 15 3.481 3.816 10.559 754 1HG1 ILE 15 HG12 ILE 15 1.625 4.901 12.693 755 2HG1 ILE 15 HG11 ILE 15 3.371 4.750 12.864 756 1HG2 ILE 15 HG21 ILE 15 1.448 3.156 9.413 757 2HG2 ILE 15 HG22 ILE 15 1.434 4.897 9.702 758 3HG2 ILE 15 HG23 ILE 15 0.467 3.825 10.717 759 1HD1 ILE 15 HD11 ILE 15 3.677 6.317 11.012 760 2HD1 ILE 15 HD12 ILE 15 2.750 7.025 12.334 761 3HD1 ILE 15 HD13 ILE 15 1.926 6.481 10.873 762 H ILE 16 HN ILE 16 4.478 1.541 10.514 763 HA ILE 16 HA ILE 16 3.250 0.117 8.446 764 HB ILE 16 HB ILE 16 5.939 -0.460 9.710 765 1HG1 ILE 16 HG12 ILE 16 5.290 1.305 7.341 766 2HG1 ILE 16 HG11 ILE 16 5.611 1.910 8.963 767 1HG2 ILE 16 HG21 ILE 16 4.849 -1.133 6.980 768 2HG2 ILE 16 HG22 ILE 16 5.190 -2.272 8.282 769 3HG2 ILE 16 HG23 ILE 16 6.511 -1.397 7.507 770 1HD1 ILE 16 HD11 ILE 16 7.859 0.950 8.859 771 2HD1 ILE 16 HD12 ILE 16 7.572 2.107 7.561 772 3HD1 ILE 16 HD13 ILE 16 7.531 0.376 7.224 773 H GLN 17 HN GLN 17 4.425 -0.975 11.605 774 HA GLN 17 HA GLN 17 3.796 -3.704 11.256 775 1HB GLN 17 HB2 GLN 17 5.303 -2.543 13.030 776 2HB GLN 17 HB1 GLN 17 3.813 -2.341 13.940 777 1HG GLN 17 HG2 GLN 17 4.765 -5.015 12.954 778 2HG GLN 17 HG1 GLN 17 5.236 -4.348 14.515 779 1HE2 GLN 17 HE21 GLN 17 3.670 -6.743 13.766 780 2HE2 GLN 17 HE22 GLN 17 2.167 -6.590 14.623 781 H ASP 18 HN ASP 18 1.950 -0.956 12.497 782 HA ASP 18 HA ASP 18 -0.230 -2.428 13.528 783 1HB ASP 18 HB2 ASP 18 0.390 0.125 13.752 784 2HB ASP 18 HB1 ASP 18 -0.643 0.290 12.333 785 H LEU 19 HN LEU 19 0.396 -1.019 10.342 786 HA LEU 19 HA LEU 19 -2.012 -1.760 9.106 787 1HB LEU 19 HB2 LEU 19 0.751 -1.602 7.889 788 2HB LEU 19 HB1 LEU 19 -0.754 -1.631 6.991 789 HG LEU 19 HG LEU 19 0.087 0.558 8.894 790 1HD1 LEU 19 HD11 LEU 19 0.385 1.905 6.879 791 2HD1 LEU 19 HD12 LEU 19 0.035 0.493 5.882 792 3HD1 LEU 19 HD13 LEU 19 1.475 0.519 6.901 793 1HD2 LEU 19 HD21 LEU 19 -1.817 1.785 7.942 794 2HD2 LEU 19 HD22 LEU 19 -2.328 0.323 8.785 795 3HD2 LEU 19 HD23 LEU 19 -2.270 0.349 7.023 796 H LEU 20 HN LEU 20 1.028 -3.496 9.548 797 HA LEU 20 HA LEU 20 0.338 -5.852 8.171 798 1HB LEU 20 HB2 LEU 20 2.210 -5.395 10.491 799 2HB LEU 20 HB1 LEU 20 2.088 -6.914 9.628 800 HG LEU 20 HG LEU 20 2.961 -4.281 8.434 801 1HD1 LEU 20 HD11 LEU 20 4.632 -5.164 9.935 802 2HD1 LEU 20 HD12 LEU 20 5.158 -5.392 8.266 803 3HD1 LEU 20 HD13 LEU 20 4.511 -6.753 9.181 804 1HD2 LEU 20 HD21 LEU 20 2.847 -7.042 7.224 805 2HD2 LEU 20 HD22 LEU 20 3.529 -5.605 6.461 806 3HD2 LEU 20 HD23 LEU 20 1.801 -5.683 6.810 807 H ASP 21 HN ASP 21 -0.095 -4.875 11.544 808 HA ASP 21 HA ASP 21 -1.059 -7.311 12.537 809 1HB ASP 21 HB2 ASP 21 -0.372 -5.444 13.994 810 2HB ASP 21 HB1 ASP 21 -1.777 -4.523 13.462 811 H VAL 22 HN VAL 22 -2.773 -4.567 11.085 812 HA VAL 22 HA VAL 22 -5.383 -5.534 11.410 813 HB VAL 22 HB VAL 22 -4.276 -3.839 9.160 814 1HG1 VAL 22 HG11 VAL 22 -6.588 -3.138 8.775 815 2HG1 VAL 22 HG12 VAL 22 -7.140 -4.264 10.015 816 3HG1 VAL 22 HG13 VAL 22 -6.404 -4.876 8.534 817 1HG2 VAL 22 HG21 VAL 22 -5.673 -3.066 11.721 818 2HG2 VAL 22 HG22 VAL 22 -5.191 -1.954 10.440 819 3HG2 VAL 22 HG23 VAL 22 -3.965 -2.829 11.358 820 H LEU 23 HN LEU 23 -2.985 -6.126 8.887 821 HA LEU 23 HA LEU 23 -4.685 -7.661 7.211 822 1HB LEU 23 HB2 LEU 23 -1.670 -7.705 7.423 823 2HB LEU 23 HB1 LEU 23 -2.611 -8.366 6.099 824 HG LEU 23 HG LEU 23 -2.450 -5.447 6.852 825 1HD1 LEU 23 HD11 LEU 23 -1.228 -5.192 4.762 826 2HD1 LEU 23 HD12 LEU 23 -1.289 -6.935 4.505 827 3HD1 LEU 23 HD13 LEU 23 -0.384 -6.277 5.868 828 1HD2 LEU 23 HD21 LEU 23 -3.849 -6.800 4.551 829 2HD2 LEU 23 HD22 LEU 23 -3.689 -5.059 4.781 830 3HD2 LEU 23 HD23 LEU 23 -4.624 -6.017 5.928 831 H VAL 24 HN VAL 24 -2.364 -8.540 9.748 832 HA VAL 24 HA VAL 24 -2.690 -11.352 9.461 833 HB VAL 24 HB VAL 24 -1.711 -9.747 11.833 834 1HG1 VAL 24 HG11 VAL 24 -1.441 -12.699 11.266 835 2HG1 VAL 24 HG12 VAL 24 -2.446 -11.971 12.521 836 3HG1 VAL 24 HG13 VAL 24 -0.689 -11.830 12.605 837 1HG2 VAL 24 HG21 VAL 24 -0.181 -11.202 9.680 838 2HG2 VAL 24 HG22 VAL 24 0.516 -10.326 11.045 839 3HG2 VAL 24 HG23 VAL 24 -0.377 -9.454 9.797 840 H LYS 25 HN LYS 25 -4.282 -8.890 11.385 841 HA LYS 25 HA LYS 25 -5.796 -10.442 13.112 842 1HB LYS 25 HB2 LYS 25 -5.702 -8.020 13.279 843 2HB LYS 25 HB1 LYS 25 -6.510 -7.849 11.729 844 1HG LYS 25 HG2 LYS 25 -8.526 -8.885 12.688 845 2HG LYS 25 HG1 LYS 25 -7.708 -8.984 14.249 846 1HD LYS 25 HD2 LYS 25 -9.152 -7.039 14.195 847 2HD LYS 25 HD1 LYS 25 -7.462 -6.533 14.250 848 1HE LYS 25 HE2 LYS 25 -7.518 -6.183 11.804 849 2HE LYS 25 HE1 LYS 25 -9.226 -6.621 11.800 850 1HZ LYS 25 HZ1 LYS 25 -8.124 -4.376 13.389 851 2HZ LYS 25 HZ2 LYS 25 -9.756 -4.725 13.103 852 3HZ LYS 25 HZ3 LYS 25 -8.764 -4.181 11.836 853 H GLU 26 HN GLU 26 -6.460 -9.502 9.773 854 HA GLU 26 HA GLU 26 -8.957 -10.980 9.798 855 1HB GLU 26 HB2 GLU 26 -7.627 -9.305 7.670 856 2HB GLU 26 HB1 GLU 26 -9.179 -10.107 7.470 857 1HG GLU 26 HG2 GLU 26 -8.504 -7.921 9.425 858 2HG GLU 26 HG1 GLU 26 -9.554 -7.808 8.012 859 H GLU 27 HN GLU 27 -5.730 -11.628 9.151 860 HA GLU 27 HA GLU 27 -4.571 -13.245 8.047 861 1HB GLU 27 HB2 GLU 27 -7.217 -14.709 8.161 862 2HB GLU 27 HB1 GLU 27 -5.670 -15.442 7.765 863 1HG GLU 27 HG2 GLU 27 -4.845 -14.888 10.002 864 2HG GLU 27 HG1 GLU 27 -6.416 -14.185 10.397 865 H VAL 28 HN VAL 28 -5.277 -11.248 6.446 866 HA VAL 28 HA VAL 28 -6.947 -11.971 4.260 867 HB VAL 28 HB VAL 28 -6.168 -9.928 3.177 868 1HG1 VAL 28 HG11 VAL 28 -7.931 -9.722 4.805 869 2HG1 VAL 28 HG12 VAL 28 -6.868 -8.319 4.919 870 3HG1 VAL 28 HG13 VAL 28 -6.758 -9.612 6.115 871 1HG2 VAL 28 HG21 VAL 28 -4.524 -8.474 4.259 872 2HG2 VAL 28 HG22 VAL 28 -3.815 -10.025 3.813 873 3HG2 VAL 28 HG23 VAL 28 -4.246 -9.703 5.493 874 H THR 29 HN THR 29 -6.454 -12.515 2.189 875 HA THR 29 HA THR 29 -3.895 -13.789 1.712 876 HB THR 29 HB THR 29 -5.864 -14.923 0.898 877 HG1 THR 29 HG1 THR 29 -4.687 -15.479 -0.753 878 1HG2 THR 29 HG21 THR 29 -6.458 -12.422 -0.675 879 2HG2 THR 29 HG22 THR 29 -7.359 -13.016 0.719 880 3HG2 THR 29 HG23 THR 29 -7.351 -13.940 -0.783 881 HA PRO 30 HA PRO 30 -1.541 -10.549 -0.194 882 1HB PRO 30 HB2 PRO 30 -1.505 -12.439 -2.524 883 2HB PRO 30 HB1 PRO 30 -0.180 -11.501 -1.823 884 1HG PRO 30 HG2 PRO 30 -0.448 -14.079 -1.242 885 2HG PRO 30 HG1 PRO 30 0.032 -12.914 0.006 886 1HD PRO 30 HD2 PRO 30 -2.550 -14.324 -0.367 887 2HD PRO 30 HD1 PRO 30 -1.806 -13.700 1.117 888 H ASP 31 HN ASP 31 -3.828 -12.119 -2.452 889 HA ASP 31 HA ASP 31 -4.093 -9.991 -4.242 890 1HB ASP 31 HB2 ASP 31 -4.910 -12.184 -4.820 891 2HB ASP 31 HB1 ASP 31 -6.045 -12.168 -3.476 892 H LEU 32 HN LEU 32 -6.048 -10.815 -1.407 893 HA LEU 32 HA LEU 32 -7.855 -8.649 -1.608 894 1HB LEU 32 HB2 LEU 32 -8.369 -10.658 -0.332 895 2HB LEU 32 HB1 LEU 32 -7.039 -10.336 0.762 896 HG LEU 32 HG LEU 32 -8.196 -8.316 1.559 897 1HD1 LEU 32 HD11 LEU 32 -10.452 -9.240 -0.210 898 2HD1 LEU 32 HD12 LEU 32 -9.457 -7.806 -0.473 899 3HD1 LEU 32 HD13 LEU 32 -10.510 -7.903 0.941 900 1HD2 LEU 32 HD21 LEU 32 -9.977 -9.471 2.781 901 2HD2 LEU 32 HD22 LEU 32 -8.494 -10.424 2.732 902 3HD2 LEU 32 HD23 LEU 32 -9.843 -10.839 1.674 903 H ALA 33 HN ALA 33 -4.805 -9.115 0.076 904 HA ALA 33 HA ALA 33 -4.811 -6.755 1.595 905 1HB ALA 33 HB1 ALA 33 -3.265 -8.629 1.978 906 2HB ALA 33 HB2 ALA 33 -2.422 -7.088 1.826 907 3HB ALA 33 HB3 ALA 33 -2.425 -8.226 0.479 908 H LEU 34 HN LEU 34 -3.384 -7.438 -1.598 909 HA LEU 34 HA LEU 34 -2.253 -4.912 -2.016 910 1HB LEU 34 HB2 LEU 34 -3.280 -6.915 -4.026 911 2HB LEU 34 HB1 LEU 34 -2.300 -5.520 -4.431 912 HG LEU 34 HG LEU 34 -1.440 -7.834 -2.691 913 1HD1 LEU 34 HD11 LEU 34 0.065 -8.370 -4.529 914 2HD1 LEU 34 HD12 LEU 34 -0.600 -7.038 -5.474 915 3HD1 LEU 34 HD13 LEU 34 -1.617 -8.418 -5.056 916 1HD2 LEU 34 HD21 LEU 34 0.087 -5.406 -3.630 917 2HD2 LEU 34 HD22 LEU 34 0.778 -6.783 -2.771 918 3HD2 LEU 34 HD23 LEU 34 -0.406 -5.750 -1.971 919 H MET 35 HN MET 35 -5.462 -6.146 -2.858 920 HA MET 35 HA MET 35 -6.319 -3.899 -4.325 921 1HB MET 35 HB2 MET 35 -7.450 -6.089 -4.390 922 2HB MET 35 HB1 MET 35 -7.973 -5.861 -2.728 923 1HG MET 35 HG2 MET 35 -9.343 -3.991 -3.362 924 2HG MET 35 HG1 MET 35 -8.736 -4.064 -5.015 925 1HE MET 35 HE1 MET 35 -11.317 -7.400 -3.130 926 2HE MET 35 HE2 MET 35 -10.831 -5.947 -2.256 927 3HE MET 35 HE3 MET 35 -9.618 -7.136 -2.733 928 H CYS 36 HN CYS 36 -6.591 -4.680 -0.876 929 HA CYS 36 HA CYS 36 -8.118 -2.350 -0.259 930 1HB CYS 36 HB2 CYS 36 -6.500 -4.124 1.578 931 2HB CYS 36 HB1 CYS 36 -7.726 -2.963 2.077 932 HG CYS 36 HG CYS 36 -8.142 -5.971 0.546 933 H LEU 37 HN LEU 37 -4.694 -3.223 0.124 934 HA LEU 37 HA LEU 37 -3.895 -0.826 1.372 935 1HB LEU 37 HB2 LEU 37 -2.322 -2.806 -0.276 936 2HB LEU 37 HB1 LEU 37 -1.597 -1.487 0.623 937 HG LEU 37 HG LEU 37 -3.227 -3.692 1.891 938 1HD1 LEU 37 HD11 LEU 37 -1.175 -4.581 0.893 939 2HD1 LEU 37 HD12 LEU 37 -1.101 -4.602 2.655 940 3HD1 LEU 37 HD13 LEU 37 -0.232 -3.363 1.750 941 1HD2 LEU 37 HD21 LEU 37 -3.193 -1.594 3.147 942 2HD2 LEU 37 HD22 LEU 37 -1.431 -1.580 3.079 943 3HD2 LEU 37 HD23 LEU 37 -2.267 -2.849 3.971 944 H GLY 38 HN GLY 38 -3.797 -1.818 -2.048 945 1HA GLY 38 HA2 GLY 38 -2.600 0.536 -3.037 946 2HA GLY 38 HA1 GLY 38 -3.571 -0.590 -3.975 947 H ASN 39 HN ASN 39 -5.928 -0.269 -2.310 948 HA ASN 39 HA ASN 39 -7.108 1.956 -3.619 949 1HB ASN 39 HB2 ASN 39 -8.182 -0.239 -2.631 950 2HB ASN 39 HB1 ASN 39 -8.326 0.733 -1.169 951 1HD2 ASN 39 HD21 ASN 39 -9.436 0.198 -4.369 952 2HD2 ASN 39 HD22 ASN 39 -10.758 1.315 -4.332 953 H ALA 40 HN ALA 40 -5.968 1.356 -0.332 954 HA ALA 40 HA ALA 40 -6.719 3.825 0.790 955 1HB ALA 40 HB1 ALA 40 -4.403 2.058 1.584 956 2HB ALA 40 HB2 ALA 40 -6.073 1.845 2.110 957 3HB ALA 40 HB3 ALA 40 -5.178 3.290 2.582 958 H VAL 41 HN VAL 41 -3.703 2.759 -0.760 959 HA VAL 41 HA VAL 41 -2.202 5.086 -0.441 960 HB VAL 41 HB VAL 41 -2.188 3.258 -2.855 961 1HG1 VAL 41 HG11 VAL 41 -1.036 5.351 -3.282 962 2HG1 VAL 41 HG12 VAL 41 0.123 4.028 -3.151 963 3HG1 VAL 41 HG13 VAL 41 -0.088 5.152 -1.808 964 1HG2 VAL 41 HG21 VAL 41 -0.536 3.111 -0.337 965 2HG2 VAL 41 HG22 VAL 41 -0.383 2.061 -1.747 966 3HG2 VAL 41 HG23 VAL 41 -1.853 2.021 -0.771 967 H THR 42 HN THR 42 -4.487 4.191 -2.991 968 HA THR 42 HA THR 42 -4.194 6.438 -4.621 969 HB THR 42 HB THR 42 -6.664 4.748 -4.167 970 HG1 THR 42 HG1 THR 42 -4.988 3.473 -4.933 971 1HG2 THR 42 HG21 THR 42 -7.235 6.854 -5.262 972 2HG2 THR 42 HG22 THR 42 -7.348 5.516 -6.405 973 3HG2 THR 42 HG23 THR 42 -5.957 6.601 -6.450 974 H ASN 43 HN ASN 43 -6.277 5.897 -1.810 975 HA ASN 43 HA ASN 43 -7.741 8.312 -2.053 976 1HB ASN 43 HB2 ASN 43 -8.452 6.299 -0.721 977 2HB ASN 43 HB1 ASN 43 -7.238 6.732 0.481 978 1HD2 ASN 43 HD21 ASN 43 -7.615 8.454 1.848 979 2HD2 ASN 43 HD22 ASN 43 -9.138 9.276 1.934 980 H ILE 44 HN ILE 44 -4.683 7.487 -0.600 981 HA ILE 44 HA ILE 44 -4.374 9.928 0.866 982 HB ILE 44 HB ILE 44 -2.298 7.913 -0.013 983 1HG1 ILE 44 HG12 ILE 44 -3.953 6.958 1.506 984 2HG1 ILE 44 HG11 ILE 44 -2.403 7.133 2.322 985 1HG2 ILE 44 HG21 ILE 44 -0.839 8.929 1.671 986 2HG2 ILE 44 HG22 ILE 44 -2.063 10.159 1.986 987 3HG2 ILE 44 HG23 ILE 44 -1.277 10.082 0.409 988 1HD1 ILE 44 HD11 ILE 44 -3.229 9.166 3.417 989 2HD1 ILE 44 HD12 ILE 44 -4.223 7.759 3.788 990 3HD1 ILE 44 HD13 ILE 44 -4.785 8.952 2.617 991 H ILE 45 HN ILE 45 -3.148 8.701 -2.236 992 HA ILE 45 HA ILE 45 -1.560 10.917 -2.908 993 HB ILE 45 HB ILE 45 -2.966 8.968 -4.746 994 1HG1 ILE 45 HG12 ILE 45 -0.134 9.009 -3.675 995 2HG1 ILE 45 HG11 ILE 45 -1.412 7.919 -3.146 996 1HG2 ILE 45 HG21 ILE 45 -2.327 11.006 -5.935 997 2HG2 ILE 45 HG22 ILE 45 -1.332 9.639 -6.437 998 3HG2 ILE 45 HG23 ILE 45 -0.676 10.847 -5.332 999 1HD1 ILE 45 HD11 ILE 45 -0.184 8.026 -5.893 1000 2HD1 ILE 45 HD12 ILE 45 -1.500 6.960 -5.401 1001 3HD1 ILE 45 HD13 ILE 45 0.092 6.794 -4.661 1002 H ALA 46 HN ALA 46 -4.988 10.329 -3.283 1003 HA ALA 46 HA ALA 46 -5.595 12.388 -5.093 1004 1HB ALA 46 HB1 ALA 46 -7.338 11.240 -2.917 1005 2HB ALA 46 HB2 ALA 46 -7.149 10.582 -4.542 1006 3HB ALA 46 HB3 ALA 46 -7.891 12.166 -4.313 1007 H GLN 47 HN GLN 47 -4.850 12.440 -1.715 1008 HA GLN 47 HA GLN 47 -6.033 15.049 -1.248 1009 1HB GLN 47 HB2 GLN 47 -4.295 13.379 0.570 1010 2HB GLN 47 HB1 GLN 47 -5.288 14.752 1.040 1011 1HG GLN 47 HG2 GLN 47 -7.299 13.515 0.504 1012 2HG GLN 47 HG1 GLN 47 -6.332 12.153 -0.061 1013 1HE2 GLN 47 HE21 GLN 47 -7.161 10.720 1.394 1014 2HE2 GLN 47 HE22 GLN 47 -6.825 10.787 3.093 1015 H VAL 48 HN VAL 48 -3.273 13.984 -2.670 1016 HA VAL 48 HA VAL 48 -1.445 15.963 -1.573 1017 HB VAL 48 HB VAL 48 -1.099 13.985 -3.848 1018 1HG1 VAL 48 HG11 VAL 48 0.464 15.837 -4.048 1019 2HG1 VAL 48 HG12 VAL 48 1.303 14.358 -3.582 1020 3HG1 VAL 48 HG13 VAL 48 0.975 15.603 -2.376 1021 1HG2 VAL 48 HG21 VAL 48 -0.229 13.815 -0.968 1022 2HG2 VAL 48 HG22 VAL 48 0.188 12.660 -2.232 1023 3HG2 VAL 48 HG23 VAL 48 -1.493 12.857 -1.738 1024 HA PRO 49 HA PRO 49 -2.367 19.097 -4.687 1025 1HB PRO 49 HB2 PRO 49 0.575 19.546 -4.664 1026 2HB PRO 49 HB1 PRO 49 -0.742 20.705 -4.449 1027 1HG PRO 49 HG2 PRO 49 0.710 19.899 -2.369 1028 2HG PRO 49 HG1 PRO 49 -1.039 20.153 -2.215 1029 1HD PRO 49 HD2 PRO 49 0.493 17.597 -2.447 1030 2HD PRO 49 HD1 PRO 49 -0.941 17.968 -1.469 1031 H GLU 50 HN GLU 50 -2.526 18.982 -6.841 1032 HA GLU 50 HA GLU 50 -1.699 16.724 -8.239 1033 1HB GLU 50 HB2 GLU 50 -3.594 18.378 -8.756 1034 2HB GLU 50 HB1 GLU 50 -2.365 19.285 -9.631 1035 1HG GLU 50 HG2 GLU 50 -1.875 17.206 -10.927 1036 2HG GLU 50 HG1 GLU 50 -3.277 16.470 -10.146 1037 H SER 51 HN SER 51 -0.048 19.738 -7.794 1038 HA SER 51 HA SER 51 1.674 19.790 -9.958 1039 1HB SER 51 HB2 SER 51 1.549 21.637 -8.403 1040 2HB SER 51 HB1 SER 51 2.153 20.630 -7.091 1041 HG SER 51 HG SER 51 3.657 21.132 -9.449 1042 H LYS 52 HN LYS 52 1.742 17.704 -7.147 1043 HA LYS 52 HA LYS 52 4.166 16.439 -8.241 1044 1HB LYS 52 HB2 LYS 52 4.821 15.842 -5.933 1045 2HB LYS 52 HB1 LYS 52 4.760 17.580 -6.178 1046 1HG LYS 52 HG2 LYS 52 2.713 17.759 -4.985 1047 2HG LYS 52 HG1 LYS 52 2.521 16.008 -4.937 1048 1HD LYS 52 HD2 LYS 52 3.358 16.305 -2.847 1049 2HD LYS 52 HD1 LYS 52 4.883 16.183 -3.721 1050 1HE LYS 52 HE2 LYS 52 3.505 18.783 -3.063 1051 2HE LYS 52 HE1 LYS 52 4.773 18.059 -2.079 1052 1HZ LYS 52 HZ1 LYS 52 6.181 18.141 -4.163 1053 2HZ LYS 52 HZ2 LYS 52 5.829 19.627 -3.425 1054 3HZ LYS 52 HZ3 LYS 52 4.987 19.161 -4.822 1055 H ARG 53 HN ARG 53 1.205 15.911 -8.545 1056 HA ARG 53 HA ARG 53 0.434 13.678 -6.982 1057 1HB ARG 53 HB2 ARG 53 -0.783 15.303 -8.844 1058 2HB ARG 53 HB1 ARG 53 -0.691 13.769 -9.691 1059 1HG ARG 53 HG2 ARG 53 -2.794 13.846 -8.611 1060 2HG ARG 53 HG1 ARG 53 -1.795 12.716 -7.692 1061 1HD ARG 53 HD2 ARG 53 -1.592 14.122 -5.913 1062 2HD ARG 53 HD1 ARG 53 -1.795 15.568 -6.882 1063 HE ARG 53 HE ARG 53 -3.764 14.345 -5.407 1064 1HH1 ARG 53 HH11 ARG 53 -3.448 15.440 -8.714 1065 2HH1 ARG 53 HH12 ARG 53 -5.122 15.881 -8.859 1066 1HH2 ARG 53 HH21 ARG 53 -5.948 14.947 -5.582 1067 2HH2 ARG 53 HH22 ARG 53 -6.527 15.621 -7.075 1068 H VAL 54 HN VAL 54 1.870 13.876 -10.226 1069 HA VAL 54 HA VAL 54 1.826 11.013 -10.522 1070 HB VAL 54 HB VAL 54 3.230 13.096 -12.212 1071 1HG1 VAL 54 HG11 VAL 54 4.216 10.891 -12.501 1072 2HG1 VAL 54 HG12 VAL 54 3.293 11.349 -13.933 1073 3HG1 VAL 54 HG13 VAL 54 2.618 10.198 -12.780 1074 1HG2 VAL 54 HG21 VAL 54 0.818 13.427 -12.174 1075 2HG2 VAL 54 HG22 VAL 54 0.562 11.730 -12.581 1076 3HG2 VAL 54 HG23 VAL 54 1.329 12.811 -13.745 1077 H ALA 55 HN ALA 55 4.053 13.472 -9.481 1078 HA ALA 55 HA ALA 55 6.414 11.934 -9.488 1079 1HB ALA 55 HB1 ALA 55 6.420 14.369 -9.284 1080 2HB ALA 55 HB2 ALA 55 7.300 13.613 -7.957 1081 3HB ALA 55 HB3 ALA 55 5.674 14.242 -7.691 1082 H VAL 56 HN VAL 56 3.948 12.463 -6.967 1083 HA VAL 56 HA VAL 56 5.310 10.991 -4.974 1084 HB VAL 56 HB VAL 56 3.106 10.880 -3.792 1085 1HG1 VAL 56 HG11 VAL 56 3.913 13.601 -4.794 1086 2HG1 VAL 56 HG12 VAL 56 4.661 12.729 -3.456 1087 3HG1 VAL 56 HG13 VAL 56 2.984 13.263 -3.333 1088 1HG2 VAL 56 HG21 VAL 56 1.629 10.796 -5.721 1089 2HG2 VAL 56 HG22 VAL 56 2.107 12.435 -6.166 1090 3HG2 VAL 56 HG23 VAL 56 1.224 12.150 -4.665 1091 H VAL 57 HN VAL 57 2.916 10.008 -7.406 1092 HA VAL 57 HA VAL 57 2.733 7.357 -6.321 1093 HB VAL 57 HB VAL 57 0.836 8.280 -7.556 1094 1HG1 VAL 57 HG11 VAL 57 0.877 8.496 -9.983 1095 2HG1 VAL 57 HG12 VAL 57 2.596 8.105 -9.994 1096 3HG1 VAL 57 HG13 VAL 57 2.035 9.591 -9.225 1097 1HG2 VAL 57 HG21 VAL 57 0.356 6.334 -8.971 1098 2HG2 VAL 57 HG22 VAL 57 1.054 5.869 -7.421 1099 3HG2 VAL 57 HG23 VAL 57 2.051 5.857 -8.875 1100 H ASP 58 HN ASP 58 4.613 8.906 -8.869 1101 HA ASP 58 HA ASP 58 5.692 6.529 -9.963 1102 1HB ASP 58 HB2 ASP 58 6.164 9.384 -10.255 1103 2HB ASP 58 HB1 ASP 58 7.667 8.468 -10.294 1104 H ASN 59 HN ASN 59 6.899 8.740 -7.446 1105 HA ASN 59 HA ASN 59 9.257 7.308 -6.874 1106 1HB ASN 59 HB2 ASN 59 7.566 9.153 -5.189 1107 2HB ASN 59 HB1 ASN 59 9.042 8.415 -4.578 1108 1HD2 ASN 59 HD21 ASN 59 8.372 11.207 -5.017 1109 2HD2 ASN 59 HD22 ASN 59 9.584 11.831 -6.084 1110 H PHE 60 HN PHE 60 5.988 7.083 -5.555 1111 HA PHE 60 HA PHE 60 6.441 5.171 -3.571 1112 1HB PHE 60 HB2 PHE 60 4.312 6.479 -3.969 1113 2HB PHE 60 HB1 PHE 60 3.967 5.381 -5.303 1114 HD1 PHE 60 HD1 PHE 60 4.258 5.677 -1.660 1115 HD2 PHE 60 HD2 PHE 60 3.188 3.164 -4.916 1116 HE1 PHE 60 HE1 PHE 60 3.166 4.125 -0.098 1117 HE2 PHE 60 HE2 PHE 60 2.098 1.602 -3.359 1118 HZ PHE 60 HZ PHE 60 2.084 2.081 -0.946 1119 H THR 61 HN THR 61 5.416 4.733 -6.936 1120 HA THR 61 HA THR 61 5.338 1.921 -6.819 1121 HB THR 61 HB THR 61 5.328 2.072 -9.339 1122 HG1 THR 61 HG1 THR 61 5.112 4.875 -8.943 1123 1HG2 THR 61 HG21 THR 61 3.115 3.148 -9.436 1124 2HG2 THR 61 HG22 THR 61 3.368 3.796 -7.816 1125 3HG2 THR 61 HG23 THR 61 3.256 2.050 -8.062 1126 H LYS 62 HN LYS 62 7.825 4.173 -7.990 1127 HA LYS 62 HA LYS 62 9.678 2.337 -8.952 1128 1HB LYS 62 HB2 LYS 62 10.006 4.682 -9.328 1129 2HB LYS 62 HB1 LYS 62 10.068 5.011 -7.603 1130 1HG LYS 62 HG2 LYS 62 12.153 3.627 -7.503 1131 2HG LYS 62 HG1 LYS 62 12.118 3.572 -9.267 1132 1HD LYS 62 HD2 LYS 62 12.334 5.955 -9.408 1133 2HD LYS 62 HD1 LYS 62 12.147 6.125 -7.661 1134 1HE LYS 62 HE2 LYS 62 14.470 6.343 -8.179 1135 2HE LYS 62 HE1 LYS 62 14.230 4.791 -7.378 1136 1HZ LYS 62 HZ1 LYS 62 14.181 3.769 -9.633 1137 2HZ LYS 62 HZ2 LYS 62 15.674 4.455 -9.215 1138 3HZ LYS 62 HZ3 LYS 62 14.638 5.271 -10.280 1139 H ALA 63 HN ALA 63 9.508 3.761 -5.692 1140 HA ALA 63 HA ALA 63 11.688 2.311 -4.654 1141 1HB ALA 63 HB1 ALA 63 10.906 3.046 -2.459 1142 2HB ALA 63 HB2 ALA 63 9.376 3.556 -3.171 1143 3HB ALA 63 HB3 ALA 63 10.873 4.368 -3.625 1144 H LEU 64 HN LEU 64 8.267 1.588 -4.872 1145 HA LEU 64 HA LEU 64 8.306 -0.612 -3.072 1146 1HB LEU 64 HB2 LEU 64 6.315 0.798 -3.927 1147 2HB LEU 64 HB1 LEU 64 6.334 -0.273 -5.313 1148 HG LEU 64 HG LEU 64 6.225 -1.526 -2.614 1149 1HD1 LEU 64 HD11 LEU 64 4.619 0.311 -2.442 1150 2HD1 LEU 64 HD12 LEU 64 3.807 -1.252 -2.514 1151 3HD1 LEU 64 HD13 LEU 64 3.854 -0.217 -3.941 1152 1HD2 LEU 64 HD21 LEU 64 4.909 -2.103 -5.266 1153 2HD2 LEU 64 HD22 LEU 64 4.748 -3.082 -3.809 1154 3HD2 LEU 64 HD23 LEU 64 6.321 -2.925 -4.597 1155 H LYS 65 HN LYS 65 8.580 -0.314 -6.599 1156 HA LYS 65 HA LYS 65 8.739 -3.028 -7.260 1157 1HB LYS 65 HB2 LYS 65 10.120 -0.654 -8.520 1158 2HB LYS 65 HB1 LYS 65 10.114 -2.262 -9.219 1159 1HG LYS 65 HG2 LYS 65 7.719 -2.172 -9.505 1160 2HG LYS 65 HG1 LYS 65 7.657 -0.606 -8.692 1161 1HD LYS 65 HD2 LYS 65 9.079 0.350 -10.456 1162 2HD LYS 65 HD1 LYS 65 9.094 -1.209 -11.279 1163 1HE LYS 65 HE2 LYS 65 6.604 0.388 -10.697 1164 2HE LYS 65 HE1 LYS 65 7.478 0.431 -12.226 1165 1HZ LYS 65 HZ1 LYS 65 7.083 -1.972 -12.431 1166 2HZ LYS 65 HZ2 LYS 65 5.644 -1.078 -12.393 1167 3HZ LYS 65 HZ3 LYS 65 6.146 -1.929 -11.018 1168 H GLN 66 HN GLN 66 11.293 -0.743 -6.377 1169 HA GLN 66 HA GLN 66 13.473 -2.490 -6.685 1170 1HB GLN 66 HB2 GLN 66 13.212 -0.124 -4.820 1171 2HB GLN 66 HB1 GLN 66 14.720 -0.882 -5.313 1172 1HG GLN 66 HG2 GLN 66 14.359 -0.199 -7.600 1173 2HG GLN 66 HG1 GLN 66 12.781 0.467 -7.178 1174 1HE2 GLN 66 HE21 GLN 66 13.823 1.491 -4.614 1175 2HE2 GLN 66 HE22 GLN 66 14.721 2.916 -5.017 1176 H SER 67 HN SER 67 11.417 -1.784 -3.908 1177 HA SER 67 HA SER 67 13.002 -3.181 -2.013 1178 1HB SER 67 HB2 SER 67 10.072 -2.432 -1.882 1179 2HB SER 67 HB1 SER 67 11.073 -2.923 -0.515 1180 HG SER 67 HG SER 67 11.258 -0.575 -2.090 1181 H VAL 68 HN VAL 68 10.511 -4.185 -4.239 1182 HA VAL 68 HA VAL 68 10.054 -6.734 -3.007 1183 HB VAL 68 HB VAL 68 9.426 -5.745 -5.797 1184 1HG1 VAL 68 HG11 VAL 68 9.707 -8.176 -5.820 1185 2HG1 VAL 68 HG12 VAL 68 8.014 -7.730 -6.035 1186 3HG1 VAL 68 HG13 VAL 68 8.577 -8.323 -4.473 1187 1HG2 VAL 68 HG21 VAL 68 8.173 -4.643 -4.021 1188 2HG2 VAL 68 HG22 VAL 68 7.676 -6.211 -3.387 1189 3HG2 VAL 68 HG23 VAL 68 7.121 -5.686 -4.977 1190 H LEU 69 HN LEU 69 11.963 -5.596 -5.770 1191 HA LEU 69 HA LEU 69 13.016 -8.117 -6.482 1192 1HB LEU 69 HB2 LEU 69 14.162 -5.360 -6.935 1193 2HB LEU 69 HB1 LEU 69 14.709 -6.823 -7.732 1194 HG LEU 69 HG LEU 69 11.950 -5.623 -8.010 1195 1HD1 LEU 69 HD11 LEU 69 14.272 -5.657 -9.933 1196 2HD1 LEU 69 HD12 LEU 69 13.674 -4.248 -9.060 1197 3HD1 LEU 69 HD13 LEU 69 12.656 -5.032 -10.266 1198 1HD2 LEU 69 HD21 LEU 69 11.658 -7.259 -9.794 1199 2HD2 LEU 69 HD22 LEU 69 11.965 -8.058 -8.251 1200 3HD2 LEU 69 HD23 LEU 69 13.251 -7.932 -9.453 1201 H GLU 70 HN GLU 70 14.046 -5.650 -4.217 1202 HA GLU 70 HA GLU 70 16.485 -7.123 -3.608 1203 1HB GLU 70 HB2 GLU 70 15.447 -4.404 -2.935 1204 2HB GLU 70 HB1 GLU 70 16.705 -5.120 -1.935 1205 1HG GLU 70 HG2 GLU 70 16.939 -4.871 -4.920 1206 2HG GLU 70 HG1 GLU 70 17.483 -3.620 -3.802 1207 H HIS 71 HN HIS 71 13.525 -7.789 -2.822 1208 HA HIS 71 HA HIS 71 13.920 -8.071 0.055 1209 1HB HIS 71 HB2 HIS 71 11.643 -7.731 -1.458 1210 2HB HIS 71 HB1 HIS 71 11.623 -9.461 -1.133 1211 HD1 HIS 71 HD1 HIS 71 12.809 -9.300 1.793 1212 HD2 HIS 71 HD2 HIS 71 9.692 -6.978 0.304 1213 HE1 HIS 71 HE1 HIS 71 11.479 -8.587 3.797 1214 HE2 HIS 71 HE2 HIS 71 9.503 -7.346 2.862 1215 H HIS 72 HN HIS 72 15.749 -9.428 -0.038 1216 HA HIS 72 HA HIS 72 15.793 -11.803 -1.621 1217 1HB HIS 72 HB2 HIS 72 17.600 -10.864 0.616 1218 2HB HIS 72 HB1 HIS 72 17.901 -12.306 -0.347 1219 HD1 HIS 72 HD1 HIS 72 20.052 -11.451 -1.461 1220 HD2 HIS 72 HD2 HIS 72 16.793 -8.924 -2.005 1221 HE1 HIS 72 HE1 HIS 72 20.792 -9.734 -3.146 1222 HE2 HIS 72 HE2 HIS 72 18.863 -8.114 -3.329 1223 H HIS 73 HN HIS 73 15.580 -13.950 -1.003 1224 HA HIS 73 HA HIS 73 13.617 -14.221 1.125 1225 1HB HIS 73 HB2 HIS 73 13.604 -15.136 -1.380 1226 2HB HIS 73 HB1 HIS 73 14.407 -16.503 -0.624 1227 HD1 HIS 73 HD1 HIS 73 11.602 -16.741 -1.922 1228 HD2 HIS 73 HD2 HIS 73 12.287 -16.085 2.133 1229 HE1 HIS 73 HE1 HIS 73 9.526 -17.543 -0.738 1230 HE2 HIS 73 HE2 HIS 73 9.928 -17.071 1.703 1231 H HIS 74 HN HIS 74 16.733 -14.179 1.440 1232 HA HIS 74 HA HIS 74 18.324 -15.175 2.726 1233 1HB HIS 74 HB2 HIS 74 15.841 -16.175 4.121 1234 2HB HIS 74 HB1 HIS 74 17.458 -16.553 4.699 1235 HD1 HIS 74 HD1 HIS 74 14.858 -14.329 5.418 1236 HD2 HIS 74 HD2 HIS 74 18.965 -13.883 4.962 1237 HE1 HIS 74 HE1 HIS 74 15.442 -12.180 6.586 1238 HE2 HIS 74 HE2 HIS 74 17.957 -12.082 6.517 1239 H HIS 75 HN HIS 75 18.301 -16.364 0.445 1240 HA HIS 75 HA HIS 75 17.619 -19.154 0.560 1241 1HB HIS 75 HB2 HIS 75 17.672 -17.627 -1.523 1242 2HB HIS 75 HB1 HIS 75 19.414 -17.886 -1.499 1243 HD1 HIS 75 HD1 HIS 75 16.319 -19.313 -2.736 1244 HD2 HIS 75 HD2 HIS 75 20.104 -20.747 -1.752 1245 HE1 HIS 75 HE1 HIS 75 16.508 -21.568 -3.845 1246 HE2 HIS 75 HE2 HIS 75 18.764 -22.458 -3.159 1247 H HIS 76 HN HIS 76 18.825 -20.719 1.395 1248 HA HIS 76 HA HIS 76 21.708 -20.585 1.351 1249 1HB HIS 76 HB2 HIS 76 21.986 -20.832 3.787 1250 2HB HIS 76 HB1 HIS 76 21.239 -19.293 3.379 1251 HD1 HIS 76 HD1 HIS 76 18.512 -19.281 3.700 1252 HD2 HIS 76 HD2 HIS 76 20.648 -22.247 5.681 1253 HE1 HIS 76 HE1 HIS 76 16.978 -20.134 5.493 1254 HE2 HIS 76 HE2 HIS 76 18.200 -22.081 6.521 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -12.405 -27.532 -7.499 2 2H MET 1 HT2 MET 1 -11.822 -26.397 -8.615 3 3H MET 1 HT3 MET 1 -13.492 -26.636 -8.445 4 HA MET 1 HA MET 1 -13.366 -25.833 -6.154 5 1HB MET 1 HB2 MET 1 -10.858 -26.411 -6.043 6 2HB MET 1 HB1 MET 1 -10.589 -24.895 -6.885 7 1HG MET 1 HG2 MET 1 -12.093 -25.052 -4.295 8 2HG MET 1 HG1 MET 1 -10.342 -24.883 -4.368 9 1HE MET 1 HE1 MET 1 -9.921 -21.409 -6.118 10 2HE MET 1 HE2 MET 1 -9.995 -22.968 -6.938 11 3HE MET 1 HE3 MET 1 -9.101 -22.810 -5.425 12 HA PRO 2 HA PRO 2 -14.735 -22.643 -9.005 13 1HB PRO 2 HB2 PRO 2 -16.660 -21.968 -6.919 14 2HB PRO 2 HB1 PRO 2 -16.949 -22.606 -8.537 15 1HG PRO 2 HG2 PRO 2 -17.365 -24.072 -6.303 16 2HG PRO 2 HG1 PRO 2 -16.848 -24.795 -7.838 17 1HD PRO 2 HD2 PRO 2 -15.214 -24.108 -5.421 18 2HD PRO 2 HD1 PRO 2 -15.149 -25.558 -6.449 19 H ILE 3 HN ILE 3 -14.332 -20.508 -9.190 20 HA ILE 3 HA ILE 3 -13.435 -19.073 -6.766 21 HB ILE 3 HB ILE 3 -11.595 -19.696 -8.358 22 1HG1 ILE 3 HG12 ILE 3 -12.082 -16.725 -8.061 23 2HG1 ILE 3 HG11 ILE 3 -11.391 -17.773 -6.826 24 1HG2 ILE 3 HG21 ILE 3 -13.012 -17.790 -10.207 25 2HG2 ILE 3 HG22 ILE 3 -12.798 -19.526 -10.443 26 3HG2 ILE 3 HG23 ILE 3 -11.398 -18.454 -10.463 27 1HD1 ILE 3 HD11 ILE 3 -10.187 -17.142 -9.510 28 2HD1 ILE 3 HD12 ILE 3 -9.492 -18.234 -8.311 29 3HD1 ILE 3 HD13 ILE 3 -9.660 -16.515 -7.947 30 H VAL 4 HN VAL 4 -16.033 -19.322 -8.206 31 HA VAL 4 HA VAL 4 -16.653 -17.116 -9.777 32 HB VAL 4 HB VAL 4 -19.018 -17.561 -9.207 33 1HG1 VAL 4 HG11 VAL 4 -17.956 -18.843 -10.963 34 2HG1 VAL 4 HG12 VAL 4 -19.086 -19.863 -10.071 35 3HG1 VAL 4 HG13 VAL 4 -17.352 -20.007 -9.784 36 1HG2 VAL 4 HG21 VAL 4 -18.797 -18.127 -6.862 37 2HG2 VAL 4 HG22 VAL 4 -17.856 -19.563 -7.269 38 3HG2 VAL 4 HG23 VAL 4 -19.556 -19.462 -7.727 39 H SER 5 HN SER 5 -16.481 -17.372 -6.293 40 HA SER 5 HA SER 5 -17.134 -14.515 -6.127 41 1HB SER 5 HB2 SER 5 -17.972 -16.621 -4.118 42 2HB SER 5 HB1 SER 5 -18.320 -14.891 -4.032 43 HG SER 5 HG SER 5 -19.147 -15.718 -6.390 44 H LYS 6 HN LYS 6 -15.520 -13.387 -5.283 45 HA LYS 6 HA LYS 6 -13.460 -14.825 -3.789 46 1HB LYS 6 HB2 LYS 6 -13.473 -12.495 -5.567 47 2HB LYS 6 HB1 LYS 6 -12.470 -12.297 -4.136 48 1HG LYS 6 HG2 LYS 6 -12.276 -14.576 -6.097 49 2HG LYS 6 HG1 LYS 6 -11.207 -13.171 -6.039 50 1HD LYS 6 HD2 LYS 6 -10.642 -13.801 -3.684 51 2HD LYS 6 HD1 LYS 6 -11.565 -15.284 -3.919 52 1HE LYS 6 HE2 LYS 6 -10.066 -16.024 -5.628 53 2HE LYS 6 HE1 LYS 6 -9.235 -14.467 -5.644 54 1HZ LYS 6 HZ1 LYS 6 -8.530 -14.887 -3.354 55 2HZ LYS 6 HZ2 LYS 6 -7.955 -16.077 -4.413 56 3HZ LYS 6 HZ3 LYS 6 -9.272 -16.411 -3.390 57 H TYR 7 HN TYR 7 -14.440 -11.408 -3.511 58 HA TYR 7 HA TYR 7 -14.838 -11.827 -0.633 59 1HB TYR 7 HB2 TYR 7 -13.208 -9.487 -1.591 60 2HB TYR 7 HB1 TYR 7 -13.292 -10.179 0.022 61 HD1 TYR 7 HD1 TYR 7 -12.246 -12.530 0.339 62 HD2 TYR 7 HD2 TYR 7 -11.472 -10.041 -3.025 63 HE1 TYR 7 HE1 TYR 7 -10.197 -13.809 -0.132 64 HE2 TYR 7 HE2 TYR 7 -9.427 -11.313 -3.503 65 HH TYR 7 HH TYR 7 -7.819 -12.741 -2.295 66 H SER 8 HN SER 8 -16.205 -10.314 0.342 67 HA SER 8 HA SER 8 -17.990 -8.917 -1.417 68 1HB SER 8 HB2 SER 8 -17.805 -8.983 1.606 69 2HB SER 8 HB1 SER 8 -19.116 -8.232 0.695 70 HG SER 8 HG SER 8 -19.276 -10.434 -0.323 71 H ASN 9 HN ASN 9 -18.089 -6.778 -1.852 72 HA ASN 9 HA ASN 9 -15.745 -5.278 -1.758 73 1HB ASN 9 HB2 ASN 9 -18.602 -4.469 -2.265 74 2HB ASN 9 HB1 ASN 9 -17.273 -3.320 -2.359 75 1HD2 ASN 9 HD21 ASN 9 -15.415 -5.302 -3.435 76 2HD2 ASN 9 HD22 ASN 9 -15.876 -5.529 -5.082 77 H GLU 10 HN GLU 10 -18.607 -5.110 0.314 78 HA GLU 10 HA GLU 10 -17.936 -2.847 1.780 79 1HB GLU 10 HB2 GLU 10 -19.448 -5.298 2.695 80 2HB GLU 10 HB1 GLU 10 -19.393 -3.777 3.571 81 1HG GLU 10 HG2 GLU 10 -21.434 -3.771 2.427 82 2HG GLU 10 HG1 GLU 10 -20.380 -2.705 1.501 83 H ARG 11 HN ARG 11 -17.001 -6.216 2.284 84 HA ARG 11 HA ARG 11 -15.677 -5.817 4.745 85 1HB ARG 11 HB2 ARG 11 -16.286 -8.056 4.048 86 2HB ARG 11 HB1 ARG 11 -15.267 -7.931 2.620 87 1HG ARG 11 HG2 ARG 11 -13.284 -7.943 3.936 88 2HG ARG 11 HG1 ARG 11 -14.204 -7.794 5.431 89 1HD ARG 11 HD2 ARG 11 -15.158 -9.996 5.098 90 2HD ARG 11 HD1 ARG 11 -14.341 -10.141 3.542 91 HE ARG 11 HE ARG 11 -12.315 -10.482 4.647 92 1HH1 ARG 11 HH11 ARG 11 -14.936 -9.958 6.920 93 2HH1 ARG 11 HH12 ARG 11 -14.003 -10.486 8.285 94 1HH2 ARG 11 HH21 ARG 11 -11.116 -11.193 6.456 95 2HH2 ARG 11 HH22 ARG 11 -11.855 -11.172 8.032 96 H VAL 12 HN VAL 12 -14.493 -5.909 1.398 97 HA VAL 12 HA VAL 12 -11.787 -5.402 1.954 98 HB VAL 12 HB VAL 12 -13.313 -4.492 -0.493 99 1HG1 VAL 12 HG11 VAL 12 -11.091 -3.513 -0.308 100 2HG1 VAL 12 HG12 VAL 12 -11.148 -4.685 -1.625 101 3HG1 VAL 12 HG13 VAL 12 -10.388 -5.117 -0.092 102 1HG2 VAL 12 HG21 VAL 12 -11.965 -7.135 0.034 103 2HG2 VAL 12 HG22 VAL 12 -12.667 -6.624 -1.501 104 3HG2 VAL 12 HG23 VAL 12 -13.701 -6.862 -0.091 105 H GLU 13 HN GLU 13 -14.470 -3.235 1.224 106 HA GLU 13 HA GLU 13 -13.161 -0.783 1.302 107 1HB GLU 13 HB2 GLU 13 -15.459 -1.079 0.532 108 2HB GLU 13 HB1 GLU 13 -15.971 -1.502 2.158 109 1HG GLU 13 HG2 GLU 13 -15.385 0.759 2.909 110 2HG GLU 13 HG1 GLU 13 -14.931 1.174 1.254 111 H LYS 14 HN LYS 14 -14.670 -2.629 3.939 112 HA LYS 14 HA LYS 14 -14.131 -0.777 5.979 113 1HB LYS 14 HB2 LYS 14 -15.709 -2.448 6.498 114 2HB LYS 14 HB1 LYS 14 -14.623 -3.746 6.019 115 1HG LYS 14 HG2 LYS 14 -13.229 -3.367 7.936 116 2HG LYS 14 HG1 LYS 14 -14.160 -1.937 8.377 117 1HD LYS 14 HD2 LYS 14 -16.046 -3.231 8.963 118 2HD LYS 14 HD1 LYS 14 -15.377 -4.680 8.206 119 1HE LYS 14 HE2 LYS 14 -15.228 -4.646 10.703 120 2HE LYS 14 HE1 LYS 14 -13.691 -4.872 9.872 121 1HZ LYS 14 HZ1 LYS 14 -13.548 -3.293 11.724 122 2HZ LYS 14 HZ2 LYS 14 -14.660 -2.272 10.953 123 3HZ LYS 14 HZ3 LYS 14 -13.146 -2.567 10.247 124 H ILE 15 HN ILE 15 -12.230 -3.533 4.782 125 HA ILE 15 HA ILE 15 -10.173 -3.404 6.673 126 HB ILE 15 HB ILE 15 -9.949 -4.208 3.766 127 1HG1 ILE 15 HG12 ILE 15 -10.379 -5.900 6.238 128 2HG1 ILE 15 HG11 ILE 15 -11.633 -5.478 5.080 129 1HG2 ILE 15 HG21 ILE 15 -7.977 -5.491 4.508 130 2HG2 ILE 15 HG22 ILE 15 -8.125 -4.757 6.105 131 3HG2 ILE 15 HG23 ILE 15 -7.762 -3.750 4.702 132 1HD1 ILE 15 HD11 ILE 15 -10.474 -6.712 3.345 133 2HD1 ILE 15 HD12 ILE 15 -10.785 -7.742 4.743 134 3HD1 ILE 15 HD13 ILE 15 -9.169 -7.092 4.468 135 H ILE 16 HN ILE 16 -10.560 -1.716 3.585 136 HA ILE 16 HA ILE 16 -8.167 -0.258 3.606 137 HB ILE 16 HB ILE 16 -10.854 0.644 2.548 138 1HG1 ILE 16 HG12 ILE 16 -8.633 -0.778 1.073 139 2HG1 ILE 16 HG11 ILE 16 -10.070 -1.582 1.694 140 1HG2 ILE 16 HG21 ILE 16 -8.059 1.527 1.838 141 2HG2 ILE 16 HG22 ILE 16 -9.271 2.475 2.701 142 3HG2 ILE 16 HG23 ILE 16 -9.534 2.037 1.014 143 1HD1 ILE 16 HD11 ILE 16 -10.269 -1.115 -0.679 144 2HD1 ILE 16 HD12 ILE 16 -10.031 0.605 -0.374 145 3HD1 ILE 16 HD13 ILE 16 -11.467 -0.212 0.245 146 H GLN 17 HN GLN 17 -11.361 0.498 4.945 147 HA GLN 17 HA GLN 17 -10.720 3.061 5.914 148 1HB GLN 17 HB2 GLN 17 -13.022 2.321 5.578 149 2HB GLN 17 HB1 GLN 17 -12.835 1.109 6.834 150 1HG GLN 17 HG2 GLN 17 -14.098 3.069 7.583 151 2HG GLN 17 HG1 GLN 17 -12.624 2.815 8.516 152 1HE2 GLN 17 HE21 GLN 17 -10.975 4.288 8.384 153 2HE2 GLN 17 HE22 GLN 17 -11.171 5.855 7.665 154 H ASP 18 HN ASP 18 -10.592 -0.139 7.450 155 HA ASP 18 HA ASP 18 -9.854 0.711 10.023 156 1HB ASP 18 HB2 ASP 18 -9.577 -1.831 8.492 157 2HB ASP 18 HB1 ASP 18 -8.597 -1.643 9.942 158 H LEU 19 HN LEU 19 -7.886 -0.036 7.179 159 HA LEU 19 HA LEU 19 -5.366 0.416 8.351 160 1HB LEU 19 HB2 LEU 19 -6.235 0.877 5.494 161 2HB LEU 19 HB1 LEU 19 -4.575 0.788 6.049 162 HG LEU 19 HG LEU 19 -6.543 -1.490 6.243 163 1HD1 LEU 19 HD11 LEU 19 -6.115 -0.979 3.919 164 2HD1 LEU 19 HD12 LEU 19 -5.285 -2.468 4.373 165 3HD1 LEU 19 HD13 LEU 19 -4.377 -0.964 4.216 166 1HD2 LEU 19 HD21 LEU 19 -3.554 -1.375 6.627 167 2HD2 LEU 19 HD22 LEU 19 -4.546 -2.834 6.684 168 3HD2 LEU 19 HD23 LEU 19 -4.757 -1.573 7.900 169 H LEU 20 HN LEU 20 -7.658 2.573 6.747 170 HA LEU 20 HA LEU 20 -6.097 4.921 6.912 171 1HB LEU 20 HB2 LEU 20 -9.097 4.595 6.853 172 2HB LEU 20 HB1 LEU 20 -8.253 6.115 6.631 173 HG LEU 20 HG LEU 20 -8.030 3.719 4.810 174 1HD1 LEU 20 HD11 LEU 20 -9.307 5.042 3.229 175 2HD1 LEU 20 HD12 LEU 20 -9.446 6.348 4.405 176 3HD1 LEU 20 HD13 LEU 20 -10.229 4.798 4.714 177 1HD2 LEU 20 HD21 LEU 20 -6.913 6.509 4.561 178 2HD2 LEU 20 HD22 LEU 20 -6.837 5.261 3.317 179 3HD2 LEU 20 HD23 LEU 20 -5.986 5.039 4.847 180 H ASP 21 HN ASP 21 -8.329 3.366 9.151 181 HA ASP 21 HA ASP 21 -8.584 5.394 11.048 182 1HB ASP 21 HB2 ASP 21 -8.616 2.391 11.307 183 2HB ASP 21 HB1 ASP 21 -8.814 3.433 12.711 184 H VAL 22 HN VAL 22 -6.088 2.932 10.655 185 HA VAL 22 HA VAL 22 -4.540 3.617 12.913 186 HB VAL 22 HB VAL 22 -3.577 2.478 10.282 187 1HG1 VAL 22 HG11 VAL 22 -1.754 3.318 11.656 188 2HG1 VAL 22 HG12 VAL 22 -1.731 1.555 11.609 189 3HG1 VAL 22 HG13 VAL 22 -2.345 2.392 13.036 190 1HG2 VAL 22 HG21 VAL 22 -4.539 1.073 12.770 191 2HG2 VAL 22 HG22 VAL 22 -3.829 0.290 11.357 192 3HG2 VAL 22 HG23 VAL 22 -5.371 1.134 11.216 193 H LEU 23 HN LEU 23 -4.416 4.697 9.543 194 HA LEU 23 HA LEU 23 -2.123 6.323 9.826 195 1HB LEU 23 HB2 LEU 23 -4.363 6.514 7.814 196 2HB LEU 23 HB1 LEU 23 -2.807 7.308 7.676 197 HG LEU 23 HG LEU 23 -3.273 4.324 7.669 198 1HD1 LEU 23 HD11 LEU 23 -2.459 6.210 5.466 199 2HD1 LEU 23 HD12 LEU 23 -4.021 5.407 5.624 200 3HD1 LEU 23 HD13 LEU 23 -2.566 4.454 5.338 201 1HD2 LEU 23 HD21 LEU 23 -1.141 4.896 8.706 202 2HD2 LEU 23 HD22 LEU 23 -0.726 5.903 7.317 203 3HD2 LEU 23 HD23 LEU 23 -0.895 4.158 7.124 204 H VAL 24 HN VAL 24 -5.580 7.015 10.103 205 HA VAL 24 HA VAL 24 -5.219 9.827 10.512 206 HB VAL 24 HB VAL 24 -7.593 8.040 11.088 207 1HG1 VAL 24 HG11 VAL 24 -8.915 10.082 11.240 208 2HG1 VAL 24 HG12 VAL 24 -7.459 11.055 11.025 209 3HG1 VAL 24 HG13 VAL 24 -7.653 10.062 12.471 210 1HG2 VAL 24 HG21 VAL 24 -8.522 9.014 9.042 211 2HG2 VAL 24 HG22 VAL 24 -7.010 8.161 8.725 212 3HG2 VAL 24 HG23 VAL 24 -7.030 9.923 8.799 213 H LYS 25 HN LYS 25 -5.342 7.001 12.564 214 HA LYS 25 HA LYS 25 -5.761 8.207 15.055 215 1HB LYS 25 HB2 LYS 25 -5.707 5.731 14.519 216 2HB LYS 25 HB1 LYS 25 -3.955 5.842 14.536 217 1HG LYS 25 HG2 LYS 25 -4.134 6.691 16.894 218 2HG LYS 25 HG1 LYS 25 -5.847 6.274 16.832 219 1HD LYS 25 HD2 LYS 25 -3.502 4.404 16.514 220 2HD LYS 25 HD1 LYS 25 -4.643 4.459 17.858 221 1HE LYS 25 HE2 LYS 25 -6.443 3.761 16.390 222 2HE LYS 25 HE1 LYS 25 -5.357 3.793 15.002 223 1HZ LYS 25 HZ1 LYS 25 -5.549 1.550 15.707 224 2HZ LYS 25 HZ2 LYS 25 -5.262 1.954 17.329 225 3HZ LYS 25 HZ3 LYS 25 -4.010 2.077 16.189 226 H GLU 26 HN GLU 26 -2.795 7.626 13.231 227 HA GLU 26 HA GLU 26 -1.190 8.990 15.239 228 1HB GLU 26 HB2 GLU 26 -0.434 7.711 12.607 229 2HB GLU 26 HB1 GLU 26 0.709 8.423 13.736 230 1HG GLU 26 HG2 GLU 26 -1.101 6.100 14.344 231 2HG GLU 26 HG1 GLU 26 0.595 5.974 13.882 232 H GLU 27 HN GLU 27 -2.921 9.735 12.437 233 HA GLU 27 HA GLU 27 -3.006 11.457 10.978 234 1HB GLU 27 HB2 GLU 27 -1.886 12.822 13.409 235 2HB GLU 27 HB1 GLU 27 -2.199 13.707 11.920 236 1HG GLU 27 HG2 GLU 27 -4.531 13.070 11.998 237 2HG GLU 27 HG1 GLU 27 -4.241 12.114 13.449 238 H VAL 28 HN VAL 28 -1.194 9.860 10.209 239 HA VAL 28 HA VAL 28 1.471 10.804 10.102 240 HB VAL 28 HB VAL 28 1.845 9.090 8.415 241 1HG1 VAL 28 HG11 VAL 28 1.107 7.122 9.678 242 2HG1 VAL 28 HG12 VAL 28 -0.001 8.134 10.604 243 3HG1 VAL 28 HG13 VAL 28 1.741 8.379 10.741 244 1HG2 VAL 28 HG21 VAL 28 -1.152 8.727 8.403 245 2HG2 VAL 28 HG22 VAL 28 0.017 7.716 7.551 246 3HG2 VAL 28 HG23 VAL 28 -0.186 9.406 7.093 247 H THR 29 HN THR 29 2.622 11.583 8.253 248 HA THR 29 HA THR 29 1.159 13.505 6.689 249 HB THR 29 HB THR 29 3.375 14.007 5.684 250 HG1 THR 29 HG1 THR 29 5.210 12.855 6.593 251 1HG2 THR 29 HG21 THR 29 2.749 15.126 7.750 252 2HG2 THR 29 HG22 THR 29 4.480 14.786 7.746 253 3HG2 THR 29 HG23 THR 29 3.385 13.780 8.695 254 HA PRO 30 HA PRO 30 0.370 11.189 2.958 255 1HB PRO 30 HB2 PRO 30 2.031 13.218 1.525 256 2HB PRO 30 HB1 PRO 30 0.402 12.636 1.159 257 1HG PRO 30 HG2 PRO 30 0.758 15.022 2.274 258 2HG PRO 30 HG1 PRO 30 -0.584 13.976 2.773 259 1HD PRO 30 HD2 PRO 30 1.983 14.563 4.175 260 2HD PRO 30 HD1 PRO 30 0.365 14.286 4.851 261 H ASP 31 HN ASP 31 3.658 12.468 3.289 262 HA ASP 31 HA ASP 31 4.941 10.514 1.704 263 1HB ASP 31 HB2 ASP 31 6.095 12.559 2.146 264 2HB ASP 31 HB1 ASP 31 5.945 12.342 3.886 265 H LEU 32 HN LEU 32 4.559 10.806 5.237 266 HA LEU 32 HA LEU 32 5.862 8.432 5.937 267 1HB LEU 32 HB2 LEU 32 5.268 10.211 7.531 268 2HB LEU 32 HB1 LEU 32 3.574 9.804 7.348 269 HG LEU 32 HG LEU 32 3.981 7.604 8.351 270 1HD1 LEU 32 HD11 LEU 32 6.143 7.122 9.395 271 2HD1 LEU 32 HD12 LEU 32 6.811 8.586 8.674 272 3HD1 LEU 32 HD13 LEU 32 6.275 7.258 7.643 273 1HD2 LEU 32 HD21 LEU 32 3.343 9.459 9.787 274 2HD2 LEU 32 HD22 LEU 32 5.038 9.909 9.982 275 3HD2 LEU 32 HD23 LEU 32 4.452 8.375 10.626 276 H ALA 33 HN ALA 33 2.509 9.066 5.056 277 HA ALA 33 HA ALA 33 1.445 6.526 5.551 278 1HB ALA 33 HB1 ALA 33 -0.319 7.137 3.984 279 2HB ALA 33 HB2 ALA 33 0.661 8.475 3.386 280 3HB ALA 33 HB3 ALA 33 0.069 8.491 5.048 281 H LEU 34 HN LEU 34 2.880 7.865 2.582 282 HA LEU 34 HA LEU 34 2.577 5.554 1.012 283 1HB LEU 34 HB2 LEU 34 4.652 7.733 0.801 284 2HB LEU 34 HB1 LEU 34 4.305 6.548 -0.441 285 HG LEU 34 HG LEU 34 2.419 8.687 0.551 286 1HD1 LEU 34 HD11 LEU 34 4.231 9.538 -0.846 287 2HD1 LEU 34 HD12 LEU 34 2.678 9.627 -1.679 288 3HD1 LEU 34 HD13 LEU 34 3.831 8.357 -2.091 289 1HD2 LEU 34 HD21 LEU 34 1.194 6.673 -0.044 290 2HD2 LEU 34 HD22 LEU 34 2.038 6.596 -1.590 291 3HD2 LEU 34 HD23 LEU 34 0.937 7.933 -1.253 292 H MET 35 HN MET 35 5.274 6.677 3.026 293 HA MET 35 HA MET 35 7.063 4.606 2.354 294 1HB MET 35 HB2 MET 35 7.766 6.693 3.452 295 2HB MET 35 HB1 MET 35 6.916 6.209 4.915 296 1HG MET 35 HG2 MET 35 8.406 4.363 5.245 297 2HG MET 35 HG1 MET 35 9.179 4.649 3.688 298 1HE MET 35 HE1 MET 35 8.633 6.049 7.342 299 2HE MET 35 HE2 MET 35 8.042 7.345 6.303 300 3HE MET 35 HE3 MET 35 9.513 7.576 7.247 301 H CYS 36 HN CYS 36 4.630 4.837 4.934 302 HA CYS 36 HA CYS 36 5.381 2.352 6.122 303 1HB CYS 36 HB2 CYS 36 2.813 3.930 6.380 304 2HB CYS 36 HB1 CYS 36 3.272 2.566 7.394 305 HG CYS 36 HG CYS 36 4.581 5.701 7.331 306 H LEU 37 HN LEU 37 2.701 3.332 3.984 307 HA LEU 37 HA LEU 37 1.495 0.789 3.850 308 1HB LEU 37 HB2 LEU 37 1.413 3.101 1.917 309 2HB LEU 37 HB1 LEU 37 0.409 1.672 1.771 310 HG LEU 37 HG LEU 37 0.357 3.592 4.105 311 1HD1 LEU 37 HD11 LEU 37 -1.549 3.246 1.794 312 2HD1 LEU 37 HD12 LEU 37 -0.506 4.637 2.096 313 3HD1 LEU 37 HD13 LEU 37 -1.826 4.267 3.206 314 1HD2 LEU 37 HD21 LEU 37 -0.253 1.309 4.725 315 2HD2 LEU 37 HD22 LEU 37 -1.432 1.262 3.414 316 3HD2 LEU 37 HD23 LEU 37 -1.656 2.377 4.763 317 H GLY 38 HN GLY 38 3.753 2.399 1.610 318 1HA GLY 38 HA2 GLY 38 3.846 0.329 -0.293 319 2HA GLY 38 HA1 GLY 38 5.087 1.552 -0.056 320 H ASN 39 HN ASN 39 5.694 0.856 2.648 321 HA ASN 39 HA ASN 39 7.605 -1.196 2.207 322 1HB ASN 39 HB2 ASN 39 7.613 0.796 3.893 323 2HB ASN 39 HB1 ASN 39 6.721 -0.299 4.939 324 1HD2 ASN 39 HD21 ASN 39 9.412 0.924 5.098 325 2HD2 ASN 39 HD22 ASN 39 10.497 -0.397 5.362 326 H ALA 40 HN ALA 40 4.504 -1.050 3.896 327 HA ALA 40 HA ALA 40 4.484 -3.710 4.839 328 1HB ALA 40 HB1 ALA 40 2.986 -1.965 5.696 329 2HB ALA 40 HB2 ALA 40 2.099 -3.396 5.174 330 3HB ALA 40 HB3 ALA 40 2.127 -1.955 4.156 331 H VAL 41 HN VAL 41 3.205 -2.231 1.871 332 HA VAL 41 HA VAL 41 2.086 -4.521 0.719 333 HB VAL 41 HB VAL 41 3.437 -2.211 -0.702 334 1HG1 VAL 41 HG11 VAL 41 1.468 -4.242 -1.748 335 2HG1 VAL 41 HG12 VAL 41 3.178 -4.146 -2.165 336 3HG1 VAL 41 HG13 VAL 41 2.084 -2.846 -2.636 337 1HG2 VAL 41 HG21 VAL 41 1.169 -1.326 -0.960 338 2HG2 VAL 41 HG22 VAL 41 1.628 -1.468 0.737 339 3HG2 VAL 41 HG23 VAL 41 0.543 -2.657 0.015 340 H THR 42 HN THR 42 5.379 -3.225 0.492 341 HA THR 42 HA THR 42 6.486 -5.143 -1.206 342 HB THR 42 HB THR 42 7.831 -3.663 1.067 343 HG1 THR 42 HG1 THR 42 6.980 -2.194 -0.390 344 1HG2 THR 42 HG21 THR 42 9.171 -5.555 0.291 345 2HG2 THR 42 HG22 THR 42 9.905 -4.028 -0.195 346 3HG2 THR 42 HG23 THR 42 9.017 -4.994 -1.374 347 H ASN 43 HN ASN 43 6.155 -5.119 2.320 348 HA ASN 43 HA ASN 43 7.520 -7.509 2.866 349 1HB ASN 43 HB2 ASN 43 7.031 -6.004 4.658 350 2HB ASN 43 HB1 ASN 43 5.302 -6.080 4.338 351 1HD2 ASN 43 HD21 ASN 43 4.115 -7.758 5.149 352 2HD2 ASN 43 HD22 ASN 43 4.755 -8.932 6.252 353 H ILE 44 HN ILE 44 4.174 -6.906 1.940 354 HA ILE 44 HA ILE 44 3.332 -9.614 2.360 355 HB ILE 44 HB ILE 44 2.033 -7.394 0.773 356 1HG1 ILE 44 HG12 ILE 44 2.225 -6.851 3.140 357 2HG1 ILE 44 HG11 ILE 44 0.547 -7.195 2.741 358 1HG2 ILE 44 HG21 ILE 44 1.254 -9.563 0.004 359 2HG2 ILE 44 HG22 ILE 44 -0.017 -8.735 0.902 360 3HG2 ILE 44 HG23 ILE 44 0.892 -10.042 1.663 361 1HD1 ILE 44 HD11 ILE 44 1.196 -8.165 4.879 362 2HD1 ILE 44 HD12 ILE 44 2.454 -9.102 4.075 363 3HD1 ILE 44 HD13 ILE 44 0.756 -9.413 3.712 364 H ILE 45 HN ILE 45 4.187 -7.673 -0.499 365 HA ILE 45 HA ILE 45 3.680 -9.695 -2.396 366 HB ILE 45 HB ILE 45 5.578 -7.348 -2.589 367 1HG1 ILE 45 HG12 ILE 45 2.740 -7.693 -3.576 368 2HG1 ILE 45 HG11 ILE 45 3.222 -6.731 -2.186 369 1HG2 ILE 45 HG21 ILE 45 4.450 -9.108 -4.764 370 2HG2 ILE 45 HG22 ILE 45 6.131 -9.062 -4.231 371 3HG2 ILE 45 HG23 ILE 45 5.415 -7.653 -5.013 372 1HD1 ILE 45 HD11 ILE 45 2.806 -5.336 -4.133 373 2HD1 ILE 45 HD12 ILE 45 4.028 -6.226 -5.042 374 3HD1 ILE 45 HD13 ILE 45 4.498 -5.254 -3.647 375 H ALA 46 HN ALA 46 6.433 -9.042 -0.355 376 HA ALA 46 HA ALA 46 8.360 -10.582 -1.709 377 1HB ALA 46 HB1 ALA 46 8.929 -9.009 0.064 378 2HB ALA 46 HB2 ALA 46 9.558 -10.618 0.417 379 3HB ALA 46 HB3 ALA 46 8.114 -10.033 1.245 380 H GLN 47 HN GLN 47 5.622 -11.482 0.171 381 HA GLN 47 HA GLN 47 6.596 -14.154 0.743 382 1HB GLN 47 HB2 GLN 47 3.868 -12.935 1.210 383 2HB GLN 47 HB1 GLN 47 4.452 -14.456 1.874 384 1HG GLN 47 HG2 GLN 47 6.116 -13.300 3.180 385 2HG GLN 47 HG1 GLN 47 5.674 -11.764 2.439 386 1HE2 GLN 47 HE21 GLN 47 5.165 -10.791 4.351 387 2HE2 GLN 47 HE22 GLN 47 3.771 -11.216 5.286 388 H VAL 48 HN VAL 48 5.337 -12.628 -1.884 389 HA VAL 48 HA VAL 48 3.782 -14.851 -2.922 390 HB VAL 48 HB VAL 48 4.738 -12.335 -4.322 391 1HG1 VAL 48 HG11 VAL 48 2.983 -12.798 -5.948 392 2HG1 VAL 48 HG12 VAL 48 2.561 -14.278 -5.088 393 3HG1 VAL 48 HG13 VAL 48 4.135 -14.131 -5.871 394 1HG2 VAL 48 HG21 VAL 48 2.463 -11.476 -3.945 395 2HG2 VAL 48 HG22 VAL 48 3.324 -11.762 -2.432 396 3HG2 VAL 48 HG23 VAL 48 2.096 -12.904 -2.978 397 HA PRO 49 HA PRO 49 7.369 -16.935 -4.520 398 1HB PRO 49 HB2 PRO 49 5.578 -18.012 -6.606 399 2HB PRO 49 HB1 PRO 49 6.534 -18.872 -5.396 400 1HG PRO 49 HG2 PRO 49 3.863 -18.692 -5.212 401 2HG PRO 49 HG1 PRO 49 4.904 -18.682 -3.777 402 1HD PRO 49 HD2 PRO 49 3.524 -16.404 -5.135 403 2HD PRO 49 HD1 PRO 49 3.772 -16.703 -3.401 404 H GLU 50 HN GLU 50 8.885 -16.380 -5.788 405 HA GLU 50 HA GLU 50 9.235 -14.258 -7.301 406 1HB GLU 50 HB2 GLU 50 10.875 -16.121 -6.777 407 2HB GLU 50 HB1 GLU 50 10.304 -16.915 -8.237 408 1HG GLU 50 HG2 GLU 50 12.287 -15.764 -8.799 409 2HG GLU 50 HG1 GLU 50 10.948 -14.852 -9.500 410 H SER 51 HN SER 51 8.028 -17.282 -8.734 411 HA SER 51 HA SER 51 8.141 -16.534 -11.397 412 1HB SER 51 HB2 SER 51 7.691 -18.840 -10.320 413 2HB SER 51 HB1 SER 51 5.994 -18.360 -10.347 414 HG SER 51 HG SER 51 7.765 -18.795 -12.502 415 H LYS 52 HN LYS 52 5.666 -15.786 -9.013 416 HA LYS 52 HA LYS 52 4.161 -14.382 -11.128 417 1HB LYS 52 HB2 LYS 52 2.109 -14.782 -9.848 418 2HB LYS 52 HB1 LYS 52 2.890 -16.302 -10.267 419 1HG LYS 52 HG2 LYS 52 3.804 -16.462 -8.010 420 2HG LYS 52 HG1 LYS 52 3.050 -14.925 -7.591 421 1HD LYS 52 HD2 LYS 52 1.611 -17.456 -8.387 422 2HD LYS 52 HD1 LYS 52 1.741 -16.804 -6.754 423 1HE LYS 52 HE2 LYS 52 -0.215 -15.810 -7.192 424 2HE LYS 52 HE1 LYS 52 0.741 -14.676 -8.143 425 1HZ LYS 52 HZ1 LYS 52 -0.685 -17.079 -9.149 426 2HZ LYS 52 HZ2 LYS 52 0.351 -16.131 -10.096 427 3HZ LYS 52 HZ3 LYS 52 -1.073 -15.459 -9.463 428 H ARG 53 HN ARG 53 6.276 -13.777 -8.864 429 HA ARG 53 HA ARG 53 4.855 -11.910 -7.183 430 1HB ARG 53 HB2 ARG 53 6.662 -13.308 -6.287 431 2HB ARG 53 HB1 ARG 53 7.802 -12.545 -7.386 432 1HG ARG 53 HG2 ARG 53 7.650 -10.477 -6.255 433 2HG ARG 53 HG1 ARG 53 6.254 -11.016 -5.319 434 1HD ARG 53 HD2 ARG 53 8.314 -11.037 -3.987 435 2HD ARG 53 HD1 ARG 53 7.625 -12.649 -4.165 436 HE ARG 53 HE ARG 53 9.388 -12.635 -6.153 437 1HH1 ARG 53 HH11 ARG 53 9.637 -11.925 -2.771 438 2HH1 ARG 53 HH12 ARG 53 11.363 -12.003 -2.728 439 1HH2 ARG 53 HH21 ARG 53 11.680 -12.746 -6.154 440 2HH2 ARG 53 HH22 ARG 53 12.535 -12.486 -4.662 441 H VAL 54 HN VAL 54 7.116 -11.769 -9.882 442 HA VAL 54 HA VAL 54 7.540 -8.963 -9.772 443 HB VAL 54 HB VAL 54 7.778 -10.789 -12.173 444 1HG1 VAL 54 HG11 VAL 54 7.751 -8.449 -12.801 445 2HG1 VAL 54 HG12 VAL 54 9.375 -9.110 -12.998 446 3HG1 VAL 54 HG13 VAL 54 9.000 -8.091 -11.608 447 1HG2 VAL 54 HG21 VAL 54 10.140 -10.981 -11.585 448 2HG2 VAL 54 HG22 VAL 54 9.111 -11.604 -10.294 449 3HG2 VAL 54 HG23 VAL 54 9.865 -10.018 -10.134 450 H ALA 55 HN ALA 55 5.192 -11.037 -11.342 451 HA ALA 55 HA ALA 55 4.022 -9.092 -13.015 452 1HB ALA 55 HB1 ALA 55 2.768 -11.575 -11.857 453 2HB ALA 55 HB2 ALA 55 3.702 -11.492 -13.352 454 3HB ALA 55 HB3 ALA 55 2.159 -10.646 -13.224 455 H VAL 56 HN VAL 56 3.100 -10.245 -9.757 456 HA VAL 56 HA VAL 56 0.763 -8.661 -9.646 457 HB VAL 56 HB VAL 56 0.711 -9.135 -7.226 458 1HG1 VAL 56 HG11 VAL 56 0.462 -11.562 -7.425 459 2HG1 VAL 56 HG12 VAL 56 1.316 -11.520 -8.967 460 3HG1 VAL 56 HG13 VAL 56 -0.246 -10.718 -8.804 461 1HG2 VAL 56 HG21 VAL 56 3.095 -9.091 -6.738 462 2HG2 VAL 56 HG22 VAL 56 3.339 -10.535 -7.721 463 3HG2 VAL 56 HG23 VAL 56 2.387 -10.627 -6.239 464 H VAL 57 HN VAL 57 4.082 -8.035 -8.575 465 HA VAL 57 HA VAL 57 3.403 -5.679 -7.130 466 HB VAL 57 HB VAL 57 5.481 -6.874 -6.652 467 1HG1 VAL 57 HG11 VAL 57 6.432 -5.885 -9.336 468 2HG1 VAL 57 HG12 VAL 57 6.103 -7.562 -8.902 469 3HG1 VAL 57 HG13 VAL 57 7.424 -6.692 -8.121 470 1HG2 VAL 57 HG21 VAL 57 5.319 -4.546 -6.011 471 2HG2 VAL 57 HG22 VAL 57 5.903 -4.042 -7.597 472 3HG2 VAL 57 HG23 VAL 57 6.971 -4.922 -6.502 473 H ASP 58 HN ASP 58 4.352 -6.284 -10.470 474 HA ASP 58 HA ASP 58 4.641 -3.485 -11.046 475 1HB ASP 58 HB2 ASP 58 5.836 -5.338 -12.293 476 2HB ASP 58 HB1 ASP 58 4.296 -5.688 -13.077 477 H ASN 59 HN ASN 59 2.151 -5.949 -11.607 478 HA ASN 59 HA ASN 59 0.323 -4.277 -12.941 479 1HB ASN 59 HB2 ASN 59 0.015 -6.783 -11.317 480 2HB ASN 59 HB1 ASN 59 -1.410 -5.904 -11.861 481 1HD2 ASN 59 HD21 ASN 59 -0.527 -8.557 -12.586 482 2HD2 ASN 59 HD22 ASN 59 -0.345 -8.552 -14.306 483 H PHE 60 HN PHE 60 0.853 -4.906 -9.509 484 HA PHE 60 HA PHE 60 -1.183 -3.411 -8.360 485 1HB PHE 60 HB2 PHE 60 0.492 -4.790 -7.118 486 2HB PHE 60 HB1 PHE 60 1.702 -3.556 -7.460 487 HD1 PHE 60 HD1 PHE 60 -1.468 -4.185 -5.651 488 HD2 PHE 60 HD2 PHE 60 1.927 -1.662 -6.129 489 HE1 PHE 60 HE1 PHE 60 -2.061 -2.992 -3.580 490 HE2 PHE 60 HE2 PHE 60 1.337 -0.471 -4.062 491 HZ PHE 60 HZ PHE 60 -0.648 -1.137 -2.783 492 H THR 61 HN THR 61 2.088 -2.367 -9.184 493 HA THR 61 HA THR 61 1.636 0.307 -8.409 494 HB THR 61 HB THR 61 3.866 0.645 -9.699 495 HG1 THR 61 HG1 THR 61 3.952 -2.187 -9.434 496 1HG2 THR 61 HG21 THR 61 3.760 0.582 -7.289 497 2HG2 THR 61 HG22 THR 61 5.114 -0.417 -7.822 498 3HG2 THR 61 HG23 THR 61 3.609 -1.175 -7.303 499 H LYS 62 HN LYS 62 1.506 -1.348 -11.532 500 HA LYS 62 HA LYS 62 1.267 0.994 -13.104 501 1HB LYS 62 HB2 LYS 62 1.803 -1.266 -14.004 502 2HB LYS 62 HB1 LYS 62 0.144 -1.755 -13.686 503 1HG LYS 62 HG2 LYS 62 -0.695 -0.187 -15.283 504 2HG LYS 62 HG1 LYS 62 0.906 0.521 -15.502 505 1HD LYS 62 HD2 LYS 62 0.560 -0.885 -17.362 506 2HD LYS 62 HD1 LYS 62 1.657 -1.762 -16.295 507 1HE LYS 62 HE2 LYS 62 0.009 -3.295 -17.122 508 2HE LYS 62 HE1 LYS 62 -0.295 -3.013 -15.410 509 1HZ LYS 62 HZ1 LYS 62 -2.165 -1.747 -15.862 510 2HZ LYS 62 HZ2 LYS 62 -2.269 -2.981 -17.024 511 3HZ LYS 62 HZ3 LYS 62 -1.716 -1.442 -17.469 512 H ALA 63 HN ALA 63 -1.149 -1.166 -11.656 513 HA ALA 63 HA ALA 63 -3.409 0.219 -12.651 514 1HB ALA 63 HB1 ALA 63 -3.543 -2.083 -11.850 515 2HB ALA 63 HB2 ALA 63 -4.686 -1.047 -10.996 516 3HB ALA 63 HB3 ALA 63 -3.185 -1.540 -10.211 517 H LEU 64 HN LEU 64 -1.379 0.645 -9.848 518 HA LEU 64 HA LEU 64 -3.113 2.386 -8.424 519 1HB LEU 64 HB2 LEU 64 -1.048 1.050 -7.616 520 2HB LEU 64 HB1 LEU 64 -0.118 2.415 -8.202 521 HG LEU 64 HG LEU 64 -2.358 2.950 -6.307 522 1HD1 LEU 64 HD11 LEU 64 -0.883 2.541 -4.403 523 2HD1 LEU 64 HD12 LEU 64 0.340 1.880 -5.489 524 3HD1 LEU 64 HD13 LEU 64 -1.208 1.056 -5.298 525 1HD2 LEU 64 HD21 LEU 64 -1.139 4.818 -7.264 526 2HD2 LEU 64 HD22 LEU 64 0.388 4.131 -6.707 527 3HD2 LEU 64 HD23 LEU 64 -0.807 4.692 -5.536 528 H LYS 65 HN LYS 65 -0.459 2.923 -10.729 529 HA LYS 65 HA LYS 65 -0.422 5.719 -10.677 530 1HB LYS 65 HB2 LYS 65 0.024 3.901 -13.060 531 2HB LYS 65 HB1 LYS 65 0.480 5.595 -12.977 532 1HG LYS 65 HG2 LYS 65 1.558 3.478 -11.135 533 2HG LYS 65 HG1 LYS 65 2.348 3.991 -12.626 534 1HD LYS 65 HD2 LYS 65 1.595 5.995 -10.532 535 2HD LYS 65 HD1 LYS 65 3.069 5.040 -10.371 536 1HE LYS 65 HE2 LYS 65 2.380 6.751 -12.757 537 2HE LYS 65 HE1 LYS 65 3.429 7.252 -11.432 538 1HZ LYS 65 HZ1 LYS 65 4.771 5.172 -12.008 539 2HZ LYS 65 HZ2 LYS 65 4.884 6.490 -13.060 540 3HZ LYS 65 HZ3 LYS 65 3.913 5.161 -13.471 541 H GLN 66 HN GLN 66 -2.405 3.476 -12.543 542 HA GLN 66 HA GLN 66 -3.800 5.424 -14.044 543 1HB GLN 66 HB2 GLN 66 -4.691 2.635 -13.291 544 2HB GLN 66 HB1 GLN 66 -5.338 3.615 -14.600 545 1HG GLN 66 HG2 GLN 66 -3.229 3.516 -15.768 546 2HG GLN 66 HG1 GLN 66 -2.499 2.634 -14.428 547 1HE2 GLN 66 HE21 GLN 66 -2.769 1.868 -17.216 548 2HE2 GLN 66 HE22 GLN 66 -3.661 0.379 -17.224 549 H SER 67 HN SER 67 -4.511 3.793 -10.985 550 HA SER 67 HA SER 67 -7.125 4.948 -10.789 551 1HB SER 67 HB2 SER 67 -7.062 3.933 -8.466 552 2HB SER 67 HB1 SER 67 -6.865 2.801 -9.803 553 HG SER 67 HG SER 67 -4.773 2.549 -9.316 554 H VAL 68 HN VAL 68 -4.063 6.175 -10.238 555 HA VAL 68 HA VAL 68 -5.077 8.148 -8.341 556 HB VAL 68 HB VAL 68 -2.342 7.688 -9.525 557 1HG1 VAL 68 HG11 VAL 68 -3.215 9.971 -7.759 558 2HG1 VAL 68 HG12 VAL 68 -2.632 10.090 -9.419 559 3HG1 VAL 68 HG13 VAL 68 -1.542 9.560 -8.138 560 1HG2 VAL 68 HG21 VAL 68 -2.998 6.228 -7.694 561 2HG2 VAL 68 HG22 VAL 68 -3.396 7.630 -6.700 562 3HG2 VAL 68 HG23 VAL 68 -1.724 7.335 -7.180 563 H LEU 69 HN LEU 69 -4.318 7.772 -11.720 564 HA LEU 69 HA LEU 69 -4.470 10.556 -12.355 565 1HB LEU 69 HB2 LEU 69 -4.624 8.111 -14.114 566 2HB LEU 69 HB1 LEU 69 -4.552 9.757 -14.710 567 HG LEU 69 HG LEU 69 -2.400 8.388 -13.094 568 1HD1 LEU 69 HD11 LEU 69 -1.111 8.460 -15.171 569 2HD1 LEU 69 HD12 LEU 69 -2.508 9.129 -16.014 570 3HD1 LEU 69 HD13 LEU 69 -2.577 7.495 -15.354 571 1HD2 LEU 69 HD21 LEU 69 -2.508 11.120 -14.364 572 2HD2 LEU 69 HD22 LEU 69 -1.063 10.385 -13.669 573 3HD2 LEU 69 HD23 LEU 69 -2.445 10.761 -12.639 574 H GLU 70 HN GLU 70 -6.657 7.824 -13.127 575 HA GLU 70 HA GLU 70 -8.694 9.643 -14.021 576 1HB GLU 70 HB2 GLU 70 -8.741 6.657 -13.595 577 2HB GLU 70 HB1 GLU 70 -10.077 7.579 -14.272 578 1HG GLU 70 HG2 GLU 70 -8.510 8.347 -16.069 579 2HG GLU 70 HG1 GLU 70 -7.341 7.184 -15.443 580 H HIS 71 HN HIS 71 -8.235 7.557 -11.242 581 HA HIS 71 HA HIS 71 -10.698 8.401 -10.001 582 1HB HIS 71 HB2 HIS 71 -9.929 6.112 -9.718 583 2HB HIS 71 HB1 HIS 71 -8.407 6.669 -9.047 584 HD1 HIS 71 HD1 HIS 71 -8.270 6.785 -6.585 585 HD2 HIS 71 HD2 HIS 71 -12.205 6.669 -7.931 586 HE1 HIS 71 HE1 HIS 71 -9.682 6.526 -4.522 587 HE2 HIS 71 HE2 HIS 71 -12.025 6.201 -5.388 588 H HIS 72 HN HIS 72 -9.547 10.660 -10.481 589 HA HIS 72 HA HIS 72 -7.844 11.515 -8.287 590 1HB HIS 72 HB2 HIS 72 -7.913 13.742 -9.471 591 2HB HIS 72 HB1 HIS 72 -7.230 12.419 -10.403 592 HD1 HIS 72 HD1 HIS 72 -8.286 11.908 -12.621 593 HD2 HIS 72 HD2 HIS 72 -10.527 14.576 -10.356 594 HE1 HIS 72 HE1 HIS 72 -10.072 12.774 -14.165 595 HE2 HIS 72 HE2 HIS 72 -11.214 14.594 -12.851 596 H HIS 73 HN HIS 73 -10.182 10.624 -7.362 597 HA HIS 73 HA HIS 73 -12.025 10.951 -6.166 598 1HB HIS 73 HB2 HIS 73 -12.048 12.622 -4.503 599 2HB HIS 73 HB1 HIS 73 -10.370 12.184 -4.752 600 HD1 HIS 73 HD1 HIS 73 -8.843 14.119 -4.782 601 HD2 HIS 73 HD2 HIS 73 -12.687 15.174 -5.966 602 HE1 HIS 73 HE1 HIS 73 -8.786 16.606 -5.133 603 HE2 HIS 73 HE2 HIS 73 -11.187 17.241 -5.568 604 H HIS 74 HN HIS 74 -14.081 11.546 -6.231 605 HA HIS 74 HA HIS 74 -15.133 13.786 -7.604 606 1HB HIS 74 HB2 HIS 74 -14.305 12.591 -9.599 607 2HB HIS 74 HB1 HIS 74 -15.179 11.147 -9.105 608 HD1 HIS 74 HD1 HIS 74 -15.774 14.636 -10.419 609 HD2 HIS 74 HD2 HIS 74 -17.827 11.059 -9.863 610 HE1 HIS 74 HE1 HIS 74 -17.955 14.902 -11.650 611 HE2 HIS 74 HE2 HIS 74 -19.061 12.640 -11.501 612 H HIS 75 HN HIS 75 -16.899 14.083 -6.383 613 HA HIS 75 HA HIS 75 -17.862 12.068 -4.667 614 1HB HIS 75 HB2 HIS 75 -18.040 14.541 -4.253 615 2HB HIS 75 HB1 HIS 75 -19.349 14.586 -5.431 616 HD1 HIS 75 HD1 HIS 75 -21.641 14.155 -4.535 617 HD2 HIS 75 HD2 HIS 75 -18.660 12.781 -1.980 618 HE1 HIS 75 HE1 HIS 75 -22.833 13.338 -2.477 619 HE2 HIS 75 HE2 HIS 75 -21.027 12.315 -1.045 620 H HIS 76 HN HIS 76 -19.481 10.661 -4.774 621 HA HIS 76 HA HIS 76 -21.194 10.681 -7.165 622 1HB HIS 76 HB2 HIS 76 -19.487 8.916 -7.356 623 2HB HIS 76 HB1 HIS 76 -19.965 8.273 -5.790 624 HD1 HIS 76 HD1 HIS 76 -21.562 6.392 -5.882 625 HD2 HIS 76 HD2 HIS 76 -21.765 8.762 -9.295 626 HE1 HIS 76 HE1 HIS 76 -23.175 5.227 -7.423 627 HE2 HIS 76 HE2 HIS 76 -23.405 6.759 -9.410 628 1H MET 1 HT1 MET 1 20.847 18.476 -0.092 629 2H MET 1 HT2 MET 1 21.508 17.039 0.521 630 3H MET 1 HT3 MET 1 22.150 18.535 0.994 631 HA MET 1 HA MET 1 20.784 17.603 2.739 632 1HB MET 1 HB2 MET 1 19.504 19.989 1.384 633 2HB MET 1 HB1 MET 1 19.264 19.518 3.059 634 1HG MET 1 HG2 MET 1 21.606 19.941 3.534 635 2HG MET 1 HG1 MET 1 21.883 20.366 1.846 636 1HE MET 1 HE1 MET 1 20.743 22.506 0.664 637 2HE MET 1 HE2 MET 1 19.653 23.605 1.509 638 3HE MET 1 HE3 MET 1 19.159 21.940 1.198 639 HA PRO 2 HA PRO 2 17.455 15.256 0.652 640 1HB PRO 2 HB2 PRO 2 17.766 13.476 2.955 641 2HB PRO 2 HB1 PRO 2 17.941 13.116 1.236 642 1HG PRO 2 HG2 PRO 2 20.051 13.169 2.919 643 2HG PRO 2 HG1 PRO 2 20.177 13.642 1.215 644 1HD PRO 2 HD2 PRO 2 19.965 15.373 3.650 645 2HD PRO 2 HD1 PRO 2 20.994 15.570 2.215 646 H ILE 3 HN ILE 3 17.741 15.328 4.198 647 HA ILE 3 HA ILE 3 15.447 16.894 4.651 648 HB ILE 3 HB ILE 3 14.351 14.797 3.784 649 1HG1 ILE 3 HG12 ILE 3 12.680 14.637 5.608 650 2HG1 ILE 3 HG11 ILE 3 13.774 15.515 6.670 651 1HG2 ILE 3 HG21 ILE 3 15.909 13.163 4.663 652 2HG2 ILE 3 HG22 ILE 3 14.277 12.826 5.242 653 3HG2 ILE 3 HG23 ILE 3 15.455 13.584 6.313 654 1HD1 ILE 3 HD11 ILE 3 13.633 17.462 5.213 655 2HD1 ILE 3 HD12 ILE 3 12.041 16.965 5.784 656 3HD1 ILE 3 HD13 ILE 3 12.546 16.583 4.138 657 H VAL 4 HN VAL 4 14.946 16.965 7.014 658 HA VAL 4 HA VAL 4 17.308 16.229 8.592 659 HB VAL 4 HB VAL 4 16.511 17.854 10.263 660 1HG1 VAL 4 HG11 VAL 4 16.898 19.904 8.946 661 2HG1 VAL 4 HG12 VAL 4 16.741 18.955 7.467 662 3HG1 VAL 4 HG13 VAL 4 18.065 18.631 8.586 663 1HG2 VAL 4 HG21 VAL 4 14.652 19.341 9.790 664 2HG2 VAL 4 HG22 VAL 4 14.102 17.665 9.791 665 3HG2 VAL 4 HG23 VAL 4 14.350 18.512 8.263 666 H SER 5 HN SER 5 16.781 15.688 10.947 667 HA SER 5 HA SER 5 15.146 13.399 11.035 668 1HB SER 5 HB2 SER 5 16.294 15.033 13.312 669 2HB SER 5 HB1 SER 5 15.629 13.406 13.459 670 HG SER 5 HG SER 5 17.349 12.579 12.496 671 H LYS 6 HN LYS 6 13.028 13.246 11.210 672 HA LYS 6 HA LYS 6 11.540 15.150 12.837 673 1HB LYS 6 HB2 LYS 6 11.531 16.033 10.497 674 2HB LYS 6 HB1 LYS 6 10.756 14.542 9.980 675 1HG LYS 6 HG2 LYS 6 9.119 16.302 10.224 676 2HG LYS 6 HG1 LYS 6 8.842 15.042 11.427 677 1HD LYS 6 HD2 LYS 6 9.940 16.392 13.127 678 2HD LYS 6 HD1 LYS 6 10.296 17.641 11.932 679 1HE LYS 6 HE2 LYS 6 7.535 16.739 12.753 680 2HE LYS 6 HE1 LYS 6 8.343 18.199 13.326 681 1HZ LYS 6 HZ1 LYS 6 6.776 18.628 11.507 682 2HZ LYS 6 HZ2 LYS 6 7.683 17.626 10.484 683 3HZ LYS 6 HZ3 LYS 6 8.364 19.056 11.089 684 H TYR 7 HN TYR 7 11.387 12.290 10.738 685 HA TYR 7 HA TYR 7 9.139 11.181 12.143 686 1HB TYR 7 HB2 TYR 7 11.034 9.895 10.167 687 2HB TYR 7 HB1 TYR 7 9.547 9.172 10.763 688 HD1 TYR 7 HD1 TYR 7 7.380 10.663 10.376 689 HD2 TYR 7 HD2 TYR 7 10.985 10.986 8.138 690 HE1 TYR 7 HE1 TYR 7 6.133 11.682 8.519 691 HE2 TYR 7 HE2 TYR 7 9.745 12.010 6.279 692 HH TYR 7 HH TYR 7 7.462 12.056 5.408 693 H SER 8 HN SER 8 9.142 9.651 13.730 694 HA SER 8 HA SER 8 11.728 8.992 14.910 695 1HB SER 8 HB2 SER 8 10.093 8.041 16.730 696 2HB SER 8 HB1 SER 8 10.327 9.784 16.589 697 HG SER 8 HG SER 8 8.248 9.839 16.348 698 H ASN 9 HN ASN 9 12.633 7.066 14.628 699 HA ASN 9 HA ASN 9 11.639 5.244 12.756 700 1HB ASN 9 HB2 ASN 9 13.509 3.813 13.343 701 2HB ASN 9 HB1 ASN 9 14.037 5.490 13.313 702 1HD2 ASN 9 HD21 ASN 9 13.601 2.660 15.225 703 2HD2 ASN 9 HD22 ASN 9 14.302 3.284 16.683 704 H GLU 10 HN GLU 10 11.415 5.216 16.265 705 HA GLU 10 HA GLU 10 10.463 2.552 16.501 706 1HB GLU 10 HB2 GLU 10 10.106 4.912 18.356 707 2HB GLU 10 HB1 GLU 10 9.812 3.229 18.777 708 1HG GLU 10 HG2 GLU 10 12.103 2.685 18.603 709 2HG GLU 10 HG1 GLU 10 12.481 4.226 17.831 710 H ARG 11 HN ARG 11 8.920 5.640 15.951 711 HA ARG 11 HA ARG 11 6.260 4.659 16.400 712 1HB ARG 11 HB2 ARG 11 6.891 7.042 16.717 713 2HB ARG 11 HB1 ARG 11 7.151 7.175 14.983 714 1HG ARG 11 HG2 ARG 11 4.814 6.704 14.567 715 2HG ARG 11 HG1 ARG 11 4.532 6.487 16.296 716 1HD ARG 11 HD2 ARG 11 5.383 8.861 16.577 717 2HD ARG 11 HD1 ARG 11 5.256 9.006 14.823 718 HE ARG 11 HE ARG 11 2.814 8.043 15.861 719 1HH1 ARG 11 HH11 ARG 11 4.751 10.965 15.729 720 2HH1 ARG 11 HH12 ARG 11 3.400 12.028 15.964 721 1HH2 ARG 11 HH21 ARG 11 1.044 9.422 16.164 722 2HH2 ARG 11 HH22 ARG 11 1.272 11.146 16.181 723 H VAL 12 HN VAL 12 8.227 5.452 13.547 724 HA VAL 12 HA VAL 12 6.342 4.862 11.573 725 HB VAL 12 HB VAL 12 9.336 4.451 11.449 726 1HG1 VAL 12 HG11 VAL 12 7.309 4.709 9.228 727 2HG1 VAL 12 HG12 VAL 12 8.198 3.250 9.663 728 3HG1 VAL 12 HG13 VAL 12 9.059 4.647 9.019 729 1HG2 VAL 12 HG21 VAL 12 7.632 6.814 10.662 730 2HG2 VAL 12 HG22 VAL 12 9.366 6.665 10.383 731 3HG2 VAL 12 HG23 VAL 12 8.741 6.737 12.031 732 H GLU 13 HN GLU 13 8.733 2.755 13.130 733 HA GLU 13 HA GLU 13 8.120 0.394 11.746 734 1HB GLU 13 HB2 GLU 13 10.090 0.900 13.324 735 2HB GLU 13 HB1 GLU 13 8.993 0.481 14.631 736 1HG GLU 13 HG2 GLU 13 10.278 -1.443 14.147 737 2HG GLU 13 HG1 GLU 13 8.652 -1.736 13.524 738 H LYS 14 HN LYS 14 6.762 1.823 14.674 739 HA LYS 14 HA LYS 14 5.080 -0.325 15.389 740 1HB LYS 14 HB2 LYS 14 5.772 1.718 16.786 741 2HB LYS 14 HB1 LYS 14 4.501 2.586 15.942 742 1HG LYS 14 HG2 LYS 14 3.927 0.049 17.436 743 2HG LYS 14 HG1 LYS 14 3.998 1.606 18.256 744 1HD LYS 14 HD2 LYS 14 2.240 2.451 16.737 745 2HD LYS 14 HD1 LYS 14 2.143 0.852 15.995 746 1HE LYS 14 HE2 LYS 14 1.495 -0.113 18.139 747 2HE LYS 14 HE1 LYS 14 1.628 1.468 18.904 748 1HZ LYS 14 HZ1 LYS 14 -0.664 0.967 18.413 749 2HZ LYS 14 HZ2 LYS 14 -0.307 0.695 16.781 750 3HZ LYS 14 HZ3 LYS 14 -0.155 2.257 17.434 751 H ILE 15 HN ILE 15 4.589 2.527 13.351 752 HA ILE 15 HA ILE 15 1.844 2.157 12.858 753 HB ILE 15 HB ILE 15 3.921 3.464 11.091 754 1HG1 ILE 15 HG12 ILE 15 1.970 4.686 13.057 755 2HG1 ILE 15 HG11 ILE 15 3.682 4.425 13.376 756 1HG2 ILE 15 HG21 ILE 15 1.917 2.868 9.827 757 2HG2 ILE 15 HG22 ILE 15 2.040 4.616 10.033 758 3HG2 ILE 15 HG23 ILE 15 0.911 3.688 11.020 759 1HD1 ILE 15 HD11 ILE 15 3.227 6.732 12.773 760 2HD1 ILE 15 HD12 ILE 15 2.542 6.205 11.235 761 3HD1 ILE 15 HD13 ILE 15 4.256 5.954 11.571 762 H ILE 16 HN ILE 16 4.687 1.146 10.954 763 HA ILE 16 HA ILE 16 3.313 -0.170 8.903 764 HB ILE 16 HB ILE 16 6.021 -0.869 10.061 765 1HG1 ILE 16 HG12 ILE 16 5.276 0.915 7.732 766 2HG1 ILE 16 HG11 ILE 16 5.830 1.475 9.307 767 1HG2 ILE 16 HG21 ILE 16 5.120 -2.679 8.693 768 2HG2 ILE 16 HG22 ILE 16 6.474 -1.891 7.883 769 3HG2 ILE 16 HG23 ILE 16 4.821 -1.544 7.377 770 1HD1 ILE 16 HD11 ILE 16 7.616 1.553 7.677 771 2HD1 ILE 16 HD12 ILE 16 7.421 -0.169 7.351 772 3HD1 ILE 16 HD13 ILE 16 7.979 0.371 8.934 773 H GLN 17 HN GLN 17 4.503 -1.366 12.011 774 HA GLN 17 HA GLN 17 3.706 -4.050 11.695 775 1HB GLN 17 HB2 GLN 17 5.313 -3.344 13.391 776 2HB GLN 17 HB1 GLN 17 4.075 -2.394 14.197 777 1HG GLN 17 HG2 GLN 17 4.561 -4.498 15.347 778 2HG GLN 17 HG1 GLN 17 2.884 -4.391 14.819 779 1HE2 GLN 17 HE21 GLN 17 2.111 -5.830 13.339 780 2HE2 GLN 17 HE22 GLN 17 3.027 -7.183 12.756 781 H ASP 18 HN ASP 18 2.093 -1.237 13.088 782 HA ASP 18 HA ASP 18 -0.150 -2.538 14.153 783 1HB ASP 18 HB2 ASP 18 0.714 -0.080 14.406 784 2HB ASP 18 HB1 ASP 18 -0.330 0.236 13.025 785 H LEU 19 HN LEU 19 0.379 -1.063 10.969 786 HA LEU 19 HA LEU 19 -2.157 -1.511 9.879 787 1HB LEU 19 HB2 LEU 19 0.543 -1.536 8.524 788 2HB LEU 19 HB1 LEU 19 -0.991 -1.488 7.677 789 HG LEU 19 HG LEU 19 -0.056 0.647 9.594 790 1HD1 LEU 19 HD11 LEU 19 1.401 0.542 7.637 791 2HD1 LEU 19 HD12 LEU 19 0.396 1.990 7.609 792 3HD1 LEU 19 HD13 LEU 19 -0.008 0.617 6.578 793 1HD2 LEU 19 HD21 LEU 19 -2.332 0.563 7.617 794 2HD2 LEU 19 HD22 LEU 19 -1.866 1.954 8.597 795 3HD2 LEU 19 HD23 LEU 19 -2.476 0.492 9.373 796 H LEU 20 HN LEU 20 0.706 -3.581 9.983 797 HA LEU 20 HA LEU 20 -0.342 -5.757 8.556 798 1HB LEU 20 HB2 LEU 20 1.699 -5.736 10.783 799 2HB LEU 20 HB1 LEU 20 1.381 -7.099 9.728 800 HG LEU 20 HG LEU 20 2.456 -4.420 8.839 801 1HD1 LEU 20 HD11 LEU 20 4.542 -5.621 8.458 802 2HD1 LEU 20 HD12 LEU 20 3.818 -7.098 9.093 803 3HD1 LEU 20 HD13 LEU 20 4.067 -5.714 10.155 804 1HD2 LEU 20 HD21 LEU 20 2.060 -6.982 7.293 805 2HD2 LEU 20 HD22 LEU 20 2.792 -5.498 6.683 806 3HD2 LEU 20 HD23 LEU 20 1.086 -5.521 7.128 807 H ASP 21 HN ASP 21 -0.344 -5.016 12.032 808 HA ASP 21 HA ASP 21 -1.616 -7.319 12.950 809 1HB ASP 21 HB2 ASP 21 -1.554 -4.497 13.979 810 2HB ASP 21 HB1 ASP 21 -2.521 -5.727 14.785 811 H VAL 22 HN VAL 22 -2.959 -4.421 11.494 812 HA VAL 22 HA VAL 22 -5.667 -4.908 12.104 813 HB VAL 22 HB VAL 22 -4.443 -3.384 9.798 814 1HG1 VAL 22 HG11 VAL 22 -6.632 -2.339 9.513 815 2HG1 VAL 22 HG12 VAL 22 -7.301 -3.386 10.765 816 3HG1 VAL 22 HG13 VAL 22 -6.723 -4.081 9.251 817 1HG2 VAL 22 HG21 VAL 22 -5.021 -1.410 11.132 818 2HG2 VAL 22 HG22 VAL 22 -3.895 -2.469 11.981 819 3HG2 VAL 22 HG23 VAL 22 -5.602 -2.462 12.424 820 H LEU 23 HN LEU 23 -3.690 -5.722 9.261 821 HA LEU 23 HA LEU 23 -5.901 -7.085 8.032 822 1HB LEU 23 HB2 LEU 23 -4.358 -7.635 6.242 823 2HB LEU 23 HB1 LEU 23 -4.299 -5.936 6.646 824 HG LEU 23 HG LEU 23 -2.185 -6.501 7.988 825 1HD1 LEU 23 HD11 LEU 23 -2.310 -8.958 6.240 826 2HD1 LEU 23 HD12 LEU 23 -2.451 -8.941 8.000 827 3HD1 LEU 23 HD13 LEU 23 -0.941 -8.452 7.231 828 1HD2 LEU 23 HD21 LEU 23 -0.816 -6.336 5.976 829 2HD2 LEU 23 HD22 LEU 23 -2.212 -5.263 5.893 830 3HD2 LEU 23 HD23 LEU 23 -2.212 -6.779 4.993 831 H VAL 24 HN VAL 24 -3.501 -7.935 10.290 832 HA VAL 24 HA VAL 24 -3.441 -10.736 9.787 833 HB VAL 24 HB VAL 24 -2.690 -9.076 12.190 834 1HG1 VAL 24 HG11 VAL 24 -3.550 -11.189 13.059 835 2HG1 VAL 24 HG12 VAL 24 -1.798 -11.109 13.236 836 3HG1 VAL 24 HG13 VAL 24 -2.510 -12.083 11.949 837 1HG2 VAL 24 HG21 VAL 24 -1.094 -10.779 10.274 838 2HG2 VAL 24 HG22 VAL 24 -0.434 -9.872 11.636 839 3HG2 VAL 24 HG23 VAL 24 -1.176 -9.016 10.283 840 H LYS 25 HN LYS 25 -5.424 -8.651 11.862 841 HA LYS 25 HA LYS 25 -6.804 -10.863 13.040 842 1HB LYS 25 HB2 LYS 25 -8.047 -9.306 14.245 843 2HB LYS 25 HB1 LYS 25 -6.512 -8.490 14.001 844 1HG LYS 25 HG2 LYS 25 -7.551 -7.275 12.081 845 2HG LYS 25 HG1 LYS 25 -9.095 -8.002 12.537 846 1HD LYS 25 HD2 LYS 25 -8.439 -7.026 14.908 847 2HD LYS 25 HD1 LYS 25 -7.493 -5.910 13.921 848 1HE LYS 25 HE2 LYS 25 -10.461 -6.413 13.741 849 2HE LYS 25 HE1 LYS 25 -9.678 -4.973 14.384 850 1HZ LYS 25 HZ1 LYS 25 -9.566 -5.911 11.566 851 2HZ LYS 25 HZ2 LYS 25 -8.790 -4.524 12.177 852 3HZ LYS 25 HZ3 LYS 25 -10.482 -4.609 12.152 853 H GLU 26 HN GLU 26 -7.159 -8.995 10.156 854 HA GLU 26 HA GLU 26 -9.810 -9.975 9.558 855 1HB GLU 26 HB2 GLU 26 -7.803 -8.661 7.712 856 2HB GLU 26 HB1 GLU 26 -9.514 -8.899 7.391 857 1HG GLU 26 HG2 GLU 26 -8.297 -7.104 9.474 858 2HG GLU 26 HG1 GLU 26 -9.104 -6.611 7.985 859 H GLU 27 HN GLU 27 -6.560 -10.966 9.172 860 HA GLU 27 HA GLU 27 -5.504 -12.682 8.148 861 1HB GLU 27 HB2 GLU 27 -8.256 -13.945 8.107 862 2HB GLU 27 HB1 GLU 27 -6.728 -14.789 7.888 863 1HG GLU 27 HG2 GLU 27 -6.082 -14.359 10.141 864 2HG GLU 27 HG1 GLU 27 -7.458 -13.284 10.385 865 H VAL 28 HN VAL 28 -5.572 -10.835 6.439 866 HA VAL 28 HA VAL 28 -7.224 -11.307 4.144 867 HB VAL 28 HB VAL 28 -5.978 -9.520 3.068 868 1HG1 VAL 28 HG11 VAL 28 -6.476 -7.710 4.625 869 2HG1 VAL 28 HG12 VAL 28 -6.592 -8.871 5.947 870 3HG1 VAL 28 HG13 VAL 28 -7.758 -8.923 4.625 871 1HG2 VAL 28 HG21 VAL 28 -4.186 -9.569 5.494 872 2HG2 VAL 28 HG22 VAL 28 -4.127 -8.386 4.187 873 3HG2 VAL 28 HG23 VAL 28 -3.738 -10.076 3.864 874 H THR 29 HN THR 29 -6.615 -12.054 2.128 875 HA THR 29 HA THR 29 -4.311 -13.824 2.032 876 HB THR 29 HB THR 29 -5.250 -14.395 -0.244 877 HG1 THR 29 HG1 THR 29 -7.553 -13.632 -0.415 878 1HG2 THR 29 HG21 THR 29 -7.155 -14.667 2.085 879 2HG2 THR 29 HG22 THR 29 -5.802 -15.739 1.729 880 3HG2 THR 29 HG23 THR 29 -7.170 -15.646 0.621 881 HA PRO 30 HA PRO 30 -1.546 -11.294 -0.402 882 1HB PRO 30 HB2 PRO 30 -1.991 -13.108 -2.731 883 2HB PRO 30 HB1 PRO 30 -0.475 -12.547 -2.017 884 1HG PRO 30 HG2 PRO 30 -1.344 -15.018 -1.570 885 2HG PRO 30 HG1 PRO 30 -0.574 -14.080 -0.275 886 1HD PRO 30 HD2 PRO 30 -3.455 -14.724 -0.695 887 2HD PRO 30 HD1 PRO 30 -2.545 -14.549 0.819 888 H ASP 31 HN ASP 31 -4.228 -12.534 -2.391 889 HA ASP 31 HA ASP 31 -4.393 -10.408 -4.205 890 1HB ASP 31 HB2 ASP 31 -6.705 -12.088 -3.205 891 2HB ASP 31 HB1 ASP 31 -6.607 -11.236 -4.740 892 H LEU 32 HN LEU 32 -6.043 -10.960 -1.130 893 HA LEU 32 HA LEU 32 -7.724 -8.675 -1.327 894 1HB LEU 32 HB2 LEU 32 -8.287 -10.659 0.009 895 2HB LEU 32 HB1 LEU 32 -6.947 -10.317 1.083 896 HG LEU 32 HG LEU 32 -8.043 -8.247 1.813 897 1HD1 LEU 32 HD11 LEU 32 -10.266 -9.114 -0.032 898 2HD1 LEU 32 HD12 LEU 32 -9.241 -7.691 -0.224 899 3HD1 LEU 32 HD13 LEU 32 -10.362 -7.792 1.133 900 1HD2 LEU 32 HD21 LEU 32 -8.470 -10.359 2.991 901 2HD2 LEU 32 HD22 LEU 32 -9.869 -10.642 1.956 902 3HD2 LEU 32 HD23 LEU 32 -9.853 -9.267 3.061 903 H ALA 33 HN ALA 33 -4.639 -9.329 0.258 904 HA ALA 33 HA ALA 33 -4.408 -6.965 1.741 905 1HB ALA 33 HB1 ALA 33 -2.937 -8.902 2.043 906 2HB ALA 33 HB2 ALA 33 -2.017 -7.419 1.791 907 3HB ALA 33 HB3 ALA 33 -2.196 -8.581 0.476 908 H LEU 34 HN LEU 34 -3.211 -7.713 -1.529 909 HA LEU 34 HA LEU 34 -2.070 -5.185 -2.003 910 1HB LEU 34 HB2 LEU 34 -3.157 -7.179 -3.993 911 2HB LEU 34 HB1 LEU 34 -2.120 -5.821 -4.384 912 HG LEU 34 HG LEU 34 -1.354 -8.188 -2.670 913 1HD1 LEU 34 HD11 LEU 34 -0.470 -7.380 -5.438 914 2HD1 LEU 34 HD12 LEU 34 -1.543 -8.725 -5.048 915 3HD1 LEU 34 HD13 LEU 34 0.136 -8.752 -4.512 916 1HD2 LEU 34 HD21 LEU 34 0.250 -5.794 -3.559 917 2HD2 LEU 34 HD22 LEU 34 0.907 -7.214 -2.749 918 3HD2 LEU 34 HD23 LEU 34 -0.238 -6.170 -1.907 919 H MET 35 HN MET 35 -5.297 -6.464 -2.611 920 HA MET 35 HA MET 35 -6.176 -4.315 -4.222 921 1HB MET 35 HB2 MET 35 -7.246 -6.518 -4.233 922 2HB MET 35 HB1 MET 35 -7.794 -6.267 -2.582 923 1HG MET 35 HG2 MET 35 -9.259 -4.514 -3.253 924 2HG MET 35 HG1 MET 35 -8.581 -4.495 -4.880 925 1HE MET 35 HE1 MET 35 -10.973 -8.086 -3.244 926 2HE MET 35 HE2 MET 35 -10.628 -6.651 -2.278 927 3HE MET 35 HE3 MET 35 -9.312 -7.710 -2.784 928 H CYS 36 HN CYS 36 -6.424 -4.905 -0.717 929 HA CYS 36 HA CYS 36 -8.036 -2.562 -0.316 930 1HB CYS 36 HB2 CYS 36 -7.661 -2.994 2.111 931 2HB CYS 36 HB1 CYS 36 -8.322 -4.369 1.237 932 HG CYS 36 HG CYS 36 -6.096 -5.901 1.292 933 H LEU 37 HN LEU 37 -4.619 -3.381 0.185 934 HA LEU 37 HA LEU 37 -3.853 -0.919 1.308 935 1HB LEU 37 HB2 LEU 37 -2.282 -2.957 -0.265 936 2HB LEU 37 HB1 LEU 37 -1.549 -1.550 0.482 937 HG LEU 37 HG LEU 37 -3.063 -3.674 2.003 938 1HD1 LEU 37 HD11 LEU 37 -0.094 -3.284 1.668 939 2HD1 LEU 37 HD12 LEU 37 -1.052 -4.630 1.047 940 3HD1 LEU 37 HD13 LEU 37 -0.859 -4.411 2.787 941 1HD2 LEU 37 HD21 LEU 37 -2.064 -2.627 3.963 942 2HD2 LEU 37 HD22 LEU 37 -3.052 -1.473 3.067 943 3HD2 LEU 37 HD23 LEU 37 -1.294 -1.417 2.937 944 H GLY 38 HN GLY 38 -3.999 -2.006 -2.059 945 1HA GLY 38 HA2 GLY 38 -2.800 0.211 -3.267 946 2HA GLY 38 HA1 GLY 38 -3.997 -0.830 -4.027 947 H ASN 39 HN ASN 39 -6.198 -0.321 -2.393 948 HA ASN 39 HA ASN 39 -7.067 2.160 -3.519 949 1HB ASN 39 HB2 ASN 39 -8.360 0.080 -1.793 950 2HB ASN 39 HB1 ASN 39 -9.142 1.641 -2.015 951 1HD2 ASN 39 HD21 ASN 39 -8.227 -1.353 -3.504 952 2HD2 ASN 39 HD22 ASN 39 -9.128 -1.126 -4.966 953 H ALA 40 HN ALA 40 -5.767 1.203 -0.458 954 HA ALA 40 HA ALA 40 -6.627 3.486 1.014 955 1HB ALA 40 HB1 ALA 40 -4.261 1.667 1.469 956 2HB ALA 40 HB2 ALA 40 -5.875 1.469 2.153 957 3HB ALA 40 HB3 ALA 40 -4.882 2.849 2.622 958 H VAL 41 HN VAL 41 -3.982 2.800 -1.153 959 HA VAL 41 HA VAL 41 -2.426 5.093 -0.390 960 HB VAL 41 HB VAL 41 -2.170 3.314 -2.821 961 1HG1 VAL 41 HG11 VAL 41 -0.230 5.306 -1.651 962 2HG1 VAL 41 HG12 VAL 41 -1.115 5.484 -3.165 963 3HG1 VAL 41 HG13 VAL 41 0.099 4.216 -2.997 964 1HG2 VAL 41 HG21 VAL 41 -1.885 2.065 -0.768 965 2HG2 VAL 41 HG22 VAL 41 -0.737 3.263 -0.169 966 3HG2 VAL 41 HG23 VAL 41 -0.326 2.269 -1.568 967 H THR 42 HN THR 42 -4.492 4.230 -3.154 968 HA THR 42 HA THR 42 -4.138 6.608 -4.592 969 HB THR 42 HB THR 42 -5.145 4.670 -5.649 970 HG1 THR 42 HG1 THR 42 -5.985 6.195 -6.863 971 1HG2 THR 42 HG21 THR 42 -7.467 4.008 -5.174 972 2HG2 THR 42 HG22 THR 42 -7.498 5.135 -3.820 973 3HG2 THR 42 HG23 THR 42 -6.404 3.753 -3.788 974 H ASN 43 HN ASN 43 -6.279 5.822 -1.920 975 HA ASN 43 HA ASN 43 -7.944 8.091 -2.077 976 1HB ASN 43 HB2 ASN 43 -8.430 6.069 -0.702 977 2HB ASN 43 HB1 ASN 43 -7.150 6.553 0.405 978 1HD2 ASN 43 HD21 ASN 43 -8.438 6.865 2.172 979 2HD2 ASN 43 HD22 ASN 43 -9.625 8.116 2.277 980 H ILE 44 HN ILE 44 -4.768 7.566 -0.703 981 HA ILE 44 HA ILE 44 -4.728 10.057 0.743 982 HB ILE 44 HB ILE 44 -2.482 8.145 0.083 983 1HG1 ILE 44 HG12 ILE 44 -4.182 7.127 1.506 984 2HG1 ILE 44 HG11 ILE 44 -2.716 7.428 2.432 985 1HG2 ILE 44 HG21 ILE 44 -2.543 10.479 1.989 986 2HG2 ILE 44 HG22 ILE 44 -1.589 10.351 0.508 987 3HG2 ILE 44 HG23 ILE 44 -1.242 9.293 1.876 988 1HD1 ILE 44 HD11 ILE 44 -5.215 9.108 2.480 989 2HD1 ILE 44 HD12 ILE 44 -3.746 9.418 3.406 990 3HD1 ILE 44 HD13 ILE 44 -4.698 7.967 3.721 991 H ILE 45 HN ILE 45 -3.217 8.795 -2.216 992 HA ILE 45 HA ILE 45 -1.728 11.142 -2.766 993 HB ILE 45 HB ILE 45 -2.570 8.960 -4.685 994 1HG1 ILE 45 HG12 ILE 45 -0.043 9.309 -3.055 995 2HG1 ILE 45 HG11 ILE 45 -1.297 8.109 -2.759 996 1HG2 ILE 45 HG21 ILE 45 -1.858 10.970 -5.851 997 2HG2 ILE 45 HG22 ILE 45 -0.648 9.697 -6.021 998 3HG2 ILE 45 HG23 ILE 45 -0.382 11.024 -4.889 999 1HD1 ILE 45 HD11 ILE 45 0.626 7.131 -3.875 1000 2HD1 ILE 45 HD12 ILE 45 0.438 8.264 -5.213 1001 3HD1 ILE 45 HD13 ILE 45 -0.807 7.055 -4.900 1002 H ALA 46 HN ALA 46 -5.006 10.186 -3.515 1003 HA ALA 46 HA ALA 46 -5.457 12.060 -5.596 1004 1HB ALA 46 HB1 ALA 46 -7.470 10.776 -3.759 1005 2HB ALA 46 HB2 ALA 46 -6.866 10.084 -5.265 1006 3HB ALA 46 HB3 ALA 46 -7.814 11.571 -5.295 1007 H GLN 47 HN GLN 47 -5.063 12.485 -2.261 1008 HA GLN 47 HA GLN 47 -6.660 14.920 -2.155 1009 1HB GLN 47 HB2 GLN 47 -4.879 13.741 -0.012 1010 2HB GLN 47 HB1 GLN 47 -6.105 14.987 0.198 1011 1HG GLN 47 HG2 GLN 47 -7.837 13.368 -0.419 1012 2HG GLN 47 HG1 GLN 47 -6.602 12.123 -0.582 1013 1HE2 GLN 47 HE21 GLN 47 -7.435 10.817 0.990 1014 2HE2 GLN 47 HE22 GLN 47 -7.417 11.225 2.672 1015 H VAL 48 HN VAL 48 -3.556 13.934 -2.966 1016 HA VAL 48 HA VAL 48 -2.178 16.378 -2.267 1017 HB VAL 48 HB VAL 48 -1.301 14.130 -4.102 1018 1HG1 VAL 48 HG11 VAL 48 -0.035 16.180 -4.451 1019 2HG1 VAL 48 HG12 VAL 48 0.965 14.943 -3.688 1020 3HG1 VAL 48 HG13 VAL 48 0.314 16.269 -2.725 1021 1HG2 VAL 48 HG21 VAL 48 -0.749 14.533 -1.167 1022 2HG2 VAL 48 HG22 VAL 48 -0.046 13.274 -2.183 1023 3HG2 VAL 48 HG23 VAL 48 -1.784 13.291 -1.870 1024 HA PRO 49 HA PRO 49 -3.522 18.860 -5.744 1025 1HB PRO 49 HB2 PRO 49 -0.651 19.695 -5.614 1026 2HB PRO 49 HB1 PRO 49 -2.105 20.693 -5.758 1027 1HG PRO 49 HG2 PRO 49 -0.869 20.465 -3.420 1028 2HG PRO 49 HG1 PRO 49 -2.641 20.461 -3.505 1029 1HD PRO 49 HD2 PRO 49 -0.760 18.202 -3.034 1030 2HD PRO 49 HD1 PRO 49 -2.399 18.456 -2.405 1031 H GLU 50 HN GLU 50 -3.638 18.400 -7.829 1032 HA GLU 50 HA GLU 50 -2.477 16.126 -8.916 1033 1HB GLU 50 HB2 GLU 50 -3.612 18.404 -10.530 1034 2HB GLU 50 HB1 GLU 50 -3.608 16.690 -10.932 1035 1HG GLU 50 HG2 GLU 50 -5.068 16.315 -8.945 1036 2HG GLU 50 HG1 GLU 50 -5.188 18.064 -8.781 1037 H SER 51 HN SER 51 -1.460 19.459 -9.049 1038 HA SER 51 HA SER 51 0.240 19.411 -11.241 1039 1HB SER 51 HB2 SER 51 -0.445 21.445 -9.976 1040 2HB SER 51 HB1 SER 51 0.650 20.971 -8.678 1041 HG SER 51 HG SER 51 1.434 21.435 -11.372 1042 H LYS 52 HN LYS 52 0.731 18.106 -8.027 1043 HA LYS 52 HA LYS 52 3.371 17.154 -8.927 1044 1HB LYS 52 HB2 LYS 52 4.130 17.186 -6.574 1045 2HB LYS 52 HB1 LYS 52 3.755 18.788 -7.189 1046 1HG LYS 52 HG2 LYS 52 1.593 17.363 -5.760 1047 2HG LYS 52 HG1 LYS 52 2.960 17.927 -4.803 1048 1HD LYS 52 HD2 LYS 52 1.624 19.777 -6.736 1049 2HD LYS 52 HD1 LYS 52 0.894 19.471 -5.161 1050 1HE LYS 52 HE2 LYS 52 2.218 21.415 -4.917 1051 2HE LYS 52 HE1 LYS 52 3.098 20.110 -4.132 1052 1HZ LYS 52 HZ1 LYS 52 4.586 21.464 -5.425 1053 2HZ LYS 52 HZ2 LYS 52 3.661 21.240 -6.821 1054 3HZ LYS 52 HZ3 LYS 52 4.489 19.930 -6.135 1055 H ARG 53 HN ARG 53 0.350 16.205 -8.464 1056 HA ARG 53 HA ARG 53 0.519 14.000 -6.710 1057 1HB ARG 53 HB2 ARG 53 -1.612 15.019 -7.403 1058 2HB ARG 53 HB1 ARG 53 -1.344 14.462 -9.048 1059 1HG ARG 53 HG2 ARG 53 -1.443 12.143 -8.273 1060 2HG ARG 53 HG1 ARG 53 -1.738 12.714 -6.628 1061 1HD ARG 53 HD2 ARG 53 -3.492 13.299 -9.010 1062 2HD ARG 53 HD1 ARG 53 -3.806 12.043 -7.814 1063 HE ARG 53 HE ARG 53 -3.640 14.206 -6.262 1064 1HH1 ARG 53 HH11 ARG 53 -5.352 13.660 -9.258 1065 2HH1 ARG 53 HH12 ARG 53 -6.586 14.834 -8.924 1066 1HH2 ARG 53 HH21 ARG 53 -5.278 15.719 -5.789 1067 2HH2 ARG 53 HH22 ARG 53 -6.560 15.998 -6.933 1068 H VAL 54 HN VAL 54 1.166 14.399 -10.133 1069 HA VAL 54 HA VAL 54 1.363 11.672 -10.821 1070 HB VAL 54 HB VAL 54 2.810 14.010 -12.079 1071 1HG1 VAL 54 HG11 VAL 54 3.722 11.842 -12.745 1072 2HG1 VAL 54 HG12 VAL 54 2.887 12.628 -14.085 1073 3HG1 VAL 54 HG13 VAL 54 2.109 11.305 -13.216 1074 1HG2 VAL 54 HG21 VAL 54 0.393 14.376 -11.989 1075 2HG2 VAL 54 HG22 VAL 54 0.125 12.817 -12.770 1076 3HG2 VAL 54 HG23 VAL 54 0.944 14.114 -13.643 1077 H ALA 55 HN ALA 55 3.622 13.934 -9.404 1078 HA ALA 55 HA ALA 55 5.958 12.368 -9.841 1079 1HB ALA 55 HB1 ALA 55 7.056 13.939 -8.338 1080 2HB ALA 55 HB2 ALA 55 5.491 14.593 -7.859 1081 3HB ALA 55 HB3 ALA 55 6.060 14.790 -9.518 1082 H VAL 56 HN VAL 56 3.848 12.875 -7.016 1083 HA VAL 56 HA VAL 56 5.411 11.253 -5.290 1084 HB VAL 56 HB VAL 56 3.468 11.306 -3.753 1085 1HG1 VAL 56 HG11 VAL 56 4.231 13.955 -4.977 1086 2HG1 VAL 56 HG12 VAL 56 5.102 13.095 -3.707 1087 3HG1 VAL 56 HG13 VAL 56 3.491 13.738 -3.391 1088 1HG2 VAL 56 HG21 VAL 56 2.123 12.877 -5.950 1089 2HG2 VAL 56 HG22 VAL 56 1.503 12.643 -4.316 1090 3HG2 VAL 56 HG23 VAL 56 1.664 11.265 -5.404 1091 H VAL 57 HN VAL 57 2.610 10.534 -7.353 1092 HA VAL 57 HA VAL 57 2.258 7.902 -6.318 1093 HB VAL 57 HB VAL 57 0.439 9.044 -7.510 1094 1HG1 VAL 57 HG11 VAL 57 0.443 9.196 -9.952 1095 2HG1 VAL 57 HG12 VAL 57 2.116 8.639 -9.984 1096 3HG1 VAL 57 HG13 VAL 57 1.715 10.185 -9.238 1097 1HG2 VAL 57 HG21 VAL 57 1.337 6.479 -8.808 1098 2HG2 VAL 57 HG22 VAL 57 -0.296 7.141 -8.880 1099 3HG2 VAL 57 HG23 VAL 57 0.383 6.634 -7.333 1100 H ASP 58 HN ASP 58 4.175 9.270 -8.930 1101 HA ASP 58 HA ASP 58 4.947 6.778 -10.068 1102 1HB ASP 58 HB2 ASP 58 5.106 8.955 -11.265 1103 2HB ASP 58 HB1 ASP 58 6.413 9.418 -10.180 1104 H ASN 59 HN ASN 59 6.474 9.015 -7.795 1105 HA ASN 59 HA ASN 59 8.794 7.577 -7.248 1106 1HB ASN 59 HB2 ASN 59 8.661 9.772 -6.419 1107 2HB ASN 59 HB1 ASN 59 7.131 9.466 -5.610 1108 1HD2 ASN 59 HD21 ASN 59 7.121 8.639 -3.580 1109 2HD2 ASN 59 HD22 ASN 59 8.551 8.380 -2.650 1110 H PHE 60 HN PHE 60 5.599 7.369 -5.732 1111 HA PHE 60 HA PHE 60 6.179 5.492 -3.755 1112 1HB PHE 60 HB2 PHE 60 4.039 6.706 -3.874 1113 2HB PHE 60 HB1 PHE 60 3.621 5.820 -5.339 1114 HD1 PHE 60 HD1 PHE 60 4.428 5.313 -1.744 1115 HD2 PHE 60 HD2 PHE 60 2.465 3.830 -5.217 1116 HE1 PHE 60 HE1 PHE 60 3.380 3.544 -0.396 1117 HE2 PHE 60 HE2 PHE 60 1.415 2.060 -3.872 1118 HZ PHE 60 HZ PHE 60 1.871 1.916 -1.462 1119 H THR 61 HN THR 61 4.916 4.962 -7.025 1120 HA THR 61 HA THR 61 4.929 2.141 -6.799 1121 HB THR 61 HB THR 61 4.711 2.271 -9.354 1122 HG1 THR 61 HG1 THR 61 4.218 5.018 -8.783 1123 1HG2 THR 61 HG21 THR 61 2.802 1.899 -7.921 1124 2HG2 THR 61 HG22 THR 61 2.364 3.083 -9.158 1125 3HG2 THR 61 HG23 THR 61 2.727 3.618 -7.517 1126 H LYS 62 HN LYS 62 7.244 4.478 -8.105 1127 HA LYS 62 HA LYS 62 9.078 2.645 -9.187 1128 1HB LYS 62 HB2 LYS 62 9.275 5.041 -9.590 1129 2HB LYS 62 HB1 LYS 62 9.574 5.330 -7.882 1130 1HG LYS 62 HG2 LYS 62 11.633 3.903 -8.111 1131 2HG LYS 62 HG1 LYS 62 11.362 3.936 -9.854 1132 1HD LYS 62 HD2 LYS 62 12.977 5.644 -9.135 1133 2HD LYS 62 HD1 LYS 62 11.536 6.357 -9.860 1134 1HE LYS 62 HE2 LYS 62 10.659 6.937 -7.711 1135 2HE LYS 62 HE1 LYS 62 11.932 6.032 -6.892 1136 1HZ LYS 62 HZ1 LYS 62 13.542 7.589 -7.552 1137 2HZ LYS 62 HZ2 LYS 62 12.232 8.514 -6.994 1138 3HZ LYS 62 HZ3 LYS 62 12.500 8.338 -8.660 1139 H ALA 63 HN ALA 63 9.034 4.172 -5.959 1140 HA ALA 63 HA ALA 63 11.198 2.733 -4.899 1141 1HB ALA 63 HB1 ALA 63 10.380 3.422 -2.717 1142 2HB ALA 63 HB2 ALA 63 8.822 3.851 -3.423 1143 3HB ALA 63 HB3 ALA 63 10.270 4.751 -3.871 1144 H LEU 64 HN LEU 64 7.797 1.921 -5.141 1145 HA LEU 64 HA LEU 64 7.818 -0.313 -3.416 1146 1HB LEU 64 HB2 LEU 64 5.914 1.074 -4.800 1147 2HB LEU 64 HB1 LEU 64 5.985 -0.420 -5.713 1148 HG LEU 64 HG LEU 64 5.570 -0.383 -2.728 1149 1HD1 LEU 64 HD11 LEU 64 3.188 -0.629 -3.175 1150 2HD1 LEU 64 HD12 LEU 64 3.484 -0.416 -4.901 1151 3HD1 LEU 64 HD13 LEU 64 3.793 0.912 -3.783 1152 1HD2 LEU 64 HD21 LEU 64 4.588 -2.603 -3.168 1153 2HD2 LEU 64 HD22 LEU 64 6.291 -2.514 -3.622 1154 3HD2 LEU 64 HD23 LEU 64 5.042 -2.446 -4.866 1155 H LYS 65 HN LYS 65 8.106 -0.088 -6.982 1156 HA LYS 65 HA LYS 65 8.570 -2.805 -7.494 1157 1HB LYS 65 HB2 LYS 65 9.790 -0.431 -8.931 1158 2HB LYS 65 HB1 LYS 65 9.741 -2.072 -9.544 1159 1HG LYS 65 HG2 LYS 65 7.298 -1.958 -9.661 1160 2HG LYS 65 HG1 LYS 65 7.352 -0.303 -9.037 1161 1HD LYS 65 HD2 LYS 65 8.892 0.217 -10.995 1162 2HD LYS 65 HD1 LYS 65 8.419 -1.348 -11.652 1163 1HE LYS 65 HE2 LYS 65 6.479 0.842 -10.935 1164 2HE LYS 65 HE1 LYS 65 7.140 0.603 -12.549 1165 1HZ LYS 65 HZ1 LYS 65 5.374 -1.237 -11.032 1166 2HZ LYS 65 HZ2 LYS 65 6.164 -1.685 -12.466 1167 3HZ LYS 65 HZ3 LYS 65 5.029 -0.424 -12.478 1168 H GLN 66 HN GLN 66 10.799 -0.189 -6.707 1169 HA GLN 66 HA GLN 66 13.221 -1.531 -6.986 1170 1HB GLN 66 HB2 GLN 66 12.955 0.918 -6.706 1171 2HB GLN 66 HB1 GLN 66 12.533 0.662 -5.020 1172 1HG GLN 66 HG2 GLN 66 14.779 -0.367 -4.691 1173 2HG GLN 66 HG1 GLN 66 15.176 0.111 -6.342 1174 1HE2 GLN 66 HE21 GLN 66 14.633 1.185 -3.102 1175 2HE2 GLN 66 HE22 GLN 66 15.182 2.809 -3.326 1176 H SER 67 HN SER 67 11.186 -1.141 -4.102 1177 HA SER 67 HA SER 67 13.002 -2.430 -2.355 1178 1HB SER 67 HB2 SER 67 10.035 -1.950 -2.008 1179 2HB SER 67 HB1 SER 67 11.182 -2.337 -0.725 1180 HG SER 67 HG SER 67 10.908 0.026 -2.224 1181 H VAL 68 HN VAL 68 10.185 -3.580 -4.167 1182 HA VAL 68 HA VAL 68 10.060 -6.111 -2.903 1183 HB VAL 68 HB VAL 68 9.019 -5.214 -5.595 1184 1HG1 VAL 68 HG11 VAL 68 8.394 -7.759 -4.096 1185 2HG1 VAL 68 HG12 VAL 68 9.367 -7.650 -5.563 1186 3HG1 VAL 68 HG13 VAL 68 7.655 -7.229 -5.607 1187 1HG2 VAL 68 HG21 VAL 68 6.854 -5.195 -4.434 1188 2HG2 VAL 68 HG22 VAL 68 8.005 -4.080 -3.698 1189 3HG2 VAL 68 HG23 VAL 68 7.665 -5.632 -2.931 1190 H LEU 69 HN LEU 69 11.625 -5.000 -5.889 1191 HA LEU 69 HA LEU 69 12.519 -7.583 -6.667 1192 1HB LEU 69 HB2 LEU 69 13.502 -4.846 -7.470 1193 2HB LEU 69 HB1 LEU 69 14.001 -6.344 -8.231 1194 HG LEU 69 HG LEU 69 11.181 -5.258 -8.203 1195 1HD1 LEU 69 HD11 LEU 69 11.535 -4.844 -10.575 1196 2HD1 LEU 69 HD12 LEU 69 13.199 -5.412 -10.438 1197 3HD1 LEU 69 HD13 LEU 69 12.698 -3.942 -9.604 1198 1HD2 LEU 69 HD21 LEU 69 10.728 -7.050 -9.828 1199 2HD2 LEU 69 HD22 LEU 69 11.204 -7.691 -8.255 1200 3HD2 LEU 69 HD23 LEU 69 12.362 -7.671 -9.585 1201 H GLU 70 HN GLU 70 13.737 -5.217 -4.469 1202 HA GLU 70 HA GLU 70 16.386 -6.393 -4.369 1203 1HB GLU 70 HB2 GLU 70 16.124 -3.976 -4.045 1204 2HB GLU 70 HB1 GLU 70 15.103 -4.266 -2.644 1205 1HG GLU 70 HG2 GLU 70 17.319 -3.655 -1.933 1206 2HG GLU 70 HG1 GLU 70 16.998 -5.334 -1.505 1207 H HIS 71 HN HIS 71 13.387 -6.478 -2.568 1208 HA HIS 71 HA HIS 71 14.391 -7.625 -0.195 1209 1HB HIS 71 HB2 HIS 71 12.091 -6.546 -0.587 1210 2HB HIS 71 HB1 HIS 71 11.608 -8.108 -1.240 1211 HD1 HIS 71 HD1 HIS 71 12.052 -10.191 0.571 1212 HD2 HIS 71 HD2 HIS 71 11.725 -6.324 2.065 1213 HE1 HIS 71 HE1 HIS 71 11.542 -10.453 3.016 1214 HE2 HIS 71 HE2 HIS 71 11.436 -8.102 3.924 1215 H HIS 72 HN HIS 72 15.650 -9.354 -0.413 1216 HA HIS 72 HA HIS 72 15.317 -11.458 -2.237 1217 1HB HIS 72 HB2 HIS 72 16.816 -11.191 0.360 1218 2HB HIS 72 HB1 HIS 72 16.774 -12.723 -0.502 1219 HD1 HIS 72 HD1 HIS 72 17.339 -9.170 -1.838 1220 HD2 HIS 72 HD2 HIS 72 19.178 -12.907 -1.708 1221 HE1 HIS 72 HE1 HIS 72 19.444 -8.942 -3.187 1222 HE2 HIS 72 HE2 HIS 72 20.494 -11.231 -3.181 1223 H HIS 73 HN HIS 73 14.431 -13.521 -2.010 1224 HA HIS 73 HA HIS 73 12.190 -13.641 -0.178 1225 1HB HIS 73 HB2 HIS 73 11.601 -15.756 -1.364 1226 2HB HIS 73 HB1 HIS 73 11.713 -14.362 -2.426 1227 HD1 HIS 73 HD1 HIS 73 12.668 -17.796 -2.254 1228 HD2 HIS 73 HD2 HIS 73 14.413 -14.343 -3.784 1229 HE1 HIS 73 HE1 HIS 73 14.404 -18.578 -3.893 1230 HE2 HIS 73 HE2 HIS 73 15.587 -16.483 -4.633 1231 H HIS 74 HN HIS 74 13.487 -13.646 1.685 1232 HA HIS 74 HA HIS 74 14.506 -14.549 3.491 1233 1HB HIS 74 HB2 HIS 74 13.892 -17.198 2.155 1234 2HB HIS 74 HB1 HIS 74 14.512 -17.020 3.794 1235 HD1 HIS 74 HD1 HIS 74 11.585 -18.073 2.569 1236 HD2 HIS 74 HD2 HIS 74 12.463 -14.722 4.879 1237 HE1 HIS 74 HE1 HIS 74 9.427 -17.437 3.697 1238 HE2 HIS 74 HE2 HIS 74 9.963 -15.381 5.055 1239 H HIS 75 HN HIS 75 16.484 -15.955 4.121 1240 HA HIS 75 HA HIS 75 18.368 -15.942 1.859 1241 1HB HIS 75 HB2 HIS 75 20.201 -15.456 3.517 1242 2HB HIS 75 HB1 HIS 75 19.086 -14.136 3.217 1243 HD1 HIS 75 HD1 HIS 75 20.257 -16.483 5.876 1244 HD2 HIS 75 HD2 HIS 75 17.537 -13.366 5.429 1245 HE1 HIS 75 HE1 HIS 75 19.604 -15.810 8.210 1246 HE2 HIS 75 HE2 HIS 75 18.135 -13.782 7.912 1247 H HIS 76 HN HIS 76 18.292 -17.991 1.309 1248 HA HIS 76 HA HIS 76 19.674 -19.903 2.928 1249 1HB HIS 76 HB2 HIS 76 17.432 -20.164 3.882 1250 2HB HIS 76 HB1 HIS 76 16.748 -20.361 2.274 1251 HD1 HIS 76 HD1 HIS 76 18.820 -22.168 4.844 1252 HD2 HIS 76 HD2 HIS 76 16.962 -22.910 1.196 1253 HE1 HIS 76 HE1 HIS 76 18.924 -24.659 4.522 1254 HE2 HIS 76 HE2 HIS 76 17.906 -25.077 2.250 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -18.134 -21.318 9.610 2 2H MET 1 HT2 MET 1 -17.333 -19.945 9.022 3 3H MET 1 HT3 MET 1 -16.441 -21.284 9.557 4 HA MET 1 HA MET 1 -17.236 -22.624 7.778 5 1HB MET 1 HB2 MET 1 -18.858 -20.171 7.106 6 2HB MET 1 HB1 MET 1 -18.578 -21.470 5.957 7 1HG MET 1 HG2 MET 1 -19.931 -21.770 8.629 8 2HG MET 1 HG1 MET 1 -20.748 -21.649 7.072 9 1HE MET 1 HE1 MET 1 -21.201 -24.024 9.186 10 2HE MET 1 HE2 MET 1 -21.258 -25.407 8.094 11 3HE MET 1 HE3 MET 1 -22.060 -23.901 7.651 12 HA PRO 2 HA PRO 2 -13.551 -20.915 6.046 13 1HB PRO 2 HB2 PRO 2 -13.670 -23.104 4.112 14 2HB PRO 2 HB1 PRO 2 -12.487 -22.801 5.386 15 1HG PRO 2 HG2 PRO 2 -14.258 -24.837 5.513 16 2HG PRO 2 HG1 PRO 2 -13.680 -23.986 6.959 17 1HD PRO 2 HD2 PRO 2 -16.268 -23.673 5.480 18 2HD PRO 2 HD1 PRO 2 -15.967 -23.696 7.231 19 H ILE 3 HN ILE 3 -12.971 -19.664 4.391 20 HA ILE 3 HA ILE 3 -13.094 -18.338 2.580 21 HB ILE 3 HB ILE 3 -13.314 -19.420 0.411 22 1HG1 ILE 3 HG12 ILE 3 -14.114 -21.909 1.940 23 2HG1 ILE 3 HG11 ILE 3 -15.190 -20.952 0.928 24 1HG2 ILE 3 HG21 ILE 3 -11.219 -19.570 1.605 25 2HG2 ILE 3 HG22 ILE 3 -11.499 -21.046 0.679 26 3HG2 ILE 3 HG23 ILE 3 -11.762 -21.036 2.422 27 1HD1 ILE 3 HD11 ILE 3 -14.435 -22.945 -0.226 28 2HD1 ILE 3 HD12 ILE 3 -12.756 -22.449 -0.010 29 3HD1 ILE 3 HD13 ILE 3 -13.835 -21.491 -1.023 30 H VAL 4 HN VAL 4 -15.477 -18.236 4.137 31 HA VAL 4 HA VAL 4 -17.818 -18.212 2.615 32 HB VAL 4 HB VAL 4 -18.558 -16.360 4.244 33 1HG1 VAL 4 HG11 VAL 4 -17.616 -19.022 5.306 34 2HG1 VAL 4 HG12 VAL 4 -19.155 -18.704 4.506 35 3HG1 VAL 4 HG13 VAL 4 -18.809 -17.974 6.073 36 1HG2 VAL 4 HG21 VAL 4 -17.190 -16.145 6.271 37 2HG2 VAL 4 HG22 VAL 4 -16.345 -15.536 4.849 38 3HG2 VAL 4 HG23 VAL 4 -15.924 -17.113 5.516 39 H SER 5 HN SER 5 -17.814 -17.367 0.670 40 HA SER 5 HA SER 5 -17.683 -15.964 -1.082 41 1HB SER 5 HB2 SER 5 -18.315 -13.658 -0.804 42 2HB SER 5 HB1 SER 5 -19.268 -14.630 0.315 43 HG SER 5 HG SER 5 -17.452 -14.034 1.855 44 H LYS 6 HN LYS 6 -15.219 -16.335 0.925 45 HA LYS 6 HA LYS 6 -13.015 -15.817 1.006 46 1HB LYS 6 HB2 LYS 6 -13.587 -14.631 -1.714 47 2HB LYS 6 HB1 LYS 6 -11.977 -14.733 -1.016 48 1HG LYS 6 HG2 LYS 6 -11.991 -17.088 -1.071 49 2HG LYS 6 HG1 LYS 6 -13.725 -17.144 -1.388 50 1HD LYS 6 HD2 LYS 6 -11.880 -15.797 -3.325 51 2HD LYS 6 HD1 LYS 6 -12.048 -17.553 -3.334 52 1HE LYS 6 HE2 LYS 6 -13.575 -16.649 -4.942 53 2HE LYS 6 HE1 LYS 6 -14.507 -17.257 -3.578 54 1HZ LYS 6 HZ1 LYS 6 -14.599 -14.928 -2.755 55 2HZ LYS 6 HZ2 LYS 6 -15.404 -15.171 -4.220 56 3HZ LYS 6 HZ3 LYS 6 -13.882 -14.421 -4.204 57 H TYR 7 HN TYR 7 -14.411 -12.976 -0.618 58 HA TYR 7 HA TYR 7 -14.225 -11.444 1.823 59 1HB TYR 7 HB2 TYR 7 -12.965 -9.582 0.781 60 2HB TYR 7 HB1 TYR 7 -12.000 -11.044 0.914 61 HD1 TYR 7 HD2 TYR 7 -11.443 -12.344 -1.120 62 HD2 TYR 7 HD1 TYR 7 -13.493 -8.623 -1.355 63 HE1 TYR 7 HE2 TYR 7 -10.882 -12.192 -3.506 64 HE2 TYR 7 HE1 TYR 7 -12.937 -8.463 -3.743 65 HH TYR 7 HH TYR 7 -11.731 -11.080 -5.529 66 H SER 8 HN SER 8 -16.102 -10.430 1.993 67 HA SER 8 HA SER 8 -17.772 -9.995 -0.324 68 1HB SER 8 HB2 SER 8 -18.158 -9.238 2.586 69 2HB SER 8 HB1 SER 8 -19.383 -9.079 1.328 70 HG SER 8 HG SER 8 -18.289 -11.589 1.429 71 H ASN 9 HN ASN 9 -18.673 -7.851 -0.842 72 HA ASN 9 HA ASN 9 -16.721 -5.885 -1.203 73 1HB ASN 9 HB2 ASN 9 -18.561 -4.384 -1.852 74 2HB ASN 9 HB1 ASN 9 -18.737 -5.971 -2.589 75 1HD2 ASN 9 HD21 ASN 9 -20.038 -3.706 -0.308 76 2HD2 ASN 9 HD22 ASN 9 -21.529 -4.537 -0.034 77 H GLU 10 HN GLU 10 -19.033 -6.379 1.381 78 HA GLU 10 HA GLU 10 -18.723 -3.896 2.668 79 1HB GLU 10 HB2 GLU 10 -19.696 -5.016 4.629 80 2HB GLU 10 HB1 GLU 10 -20.589 -5.390 3.161 81 1HG GLU 10 HG2 GLU 10 -19.412 -7.543 3.024 82 2HG GLU 10 HG1 GLU 10 -18.585 -7.165 4.533 83 H ARG 11 HN ARG 11 -16.810 -6.819 2.690 84 HA ARG 11 HA ARG 11 -15.288 -6.090 5.011 85 1HB ARG 11 HB2 ARG 11 -15.612 -8.465 4.203 86 2HB ARG 11 HB1 ARG 11 -14.506 -8.089 2.888 87 1HG ARG 11 HG2 ARG 11 -12.735 -7.611 4.476 88 2HG ARG 11 HG1 ARG 11 -13.838 -7.906 5.821 89 1HD ARG 11 HD2 ARG 11 -14.152 -10.238 4.819 90 2HD ARG 11 HD1 ARG 11 -12.730 -9.874 3.839 91 HE ARG 11 HE ARG 11 -12.012 -9.302 6.442 92 1HH1 ARG 11 HH11 ARG 11 -13.032 -12.137 4.644 93 2HH1 ARG 11 HH12 ARG 11 -12.281 -13.254 5.741 94 1HH2 ARG 11 HH21 ARG 11 -11.035 -10.751 7.862 95 2HH2 ARG 11 HH22 ARG 11 -11.128 -12.461 7.566 96 H VAL 12 HN VAL 12 -14.949 -5.798 1.526 97 HA VAL 12 HA VAL 12 -12.313 -4.854 1.418 98 HB VAL 12 HB VAL 12 -14.628 -4.012 -0.345 99 1HG1 VAL 12 HG11 VAL 12 -11.646 -3.905 -0.799 100 2HG1 VAL 12 HG12 VAL 12 -12.730 -2.529 -0.596 101 3HG1 VAL 12 HG13 VAL 12 -12.872 -3.560 -2.019 102 1HG2 VAL 12 HG21 VAL 12 -13.812 -5.781 -1.868 103 2HG2 VAL 12 HG22 VAL 12 -14.416 -6.418 -0.340 104 3HG2 VAL 12 HG23 VAL 12 -12.679 -6.300 -0.618 105 H GLU 13 HN GLU 13 -15.382 -3.101 1.746 106 HA GLU 13 HA GLU 13 -14.282 -0.531 2.036 107 1HB GLU 13 HB2 GLU 13 -16.877 -1.616 3.152 108 2HB GLU 13 HB1 GLU 13 -16.462 0.086 2.995 109 1HG GLU 13 HG2 GLU 13 -16.348 -0.179 0.559 110 2HG GLU 13 HG1 GLU 13 -16.795 -1.875 0.734 111 H LYS 14 HN LYS 14 -14.907 -3.109 4.347 112 HA LYS 14 HA LYS 14 -14.433 -1.551 6.667 113 1HB LYS 14 HB2 LYS 14 -15.659 -3.551 6.983 114 2HB LYS 14 HB1 LYS 14 -14.424 -4.525 6.190 115 1HG LYS 14 HG2 LYS 14 -12.902 -4.179 8.011 116 2HG LYS 14 HG1 LYS 14 -14.009 -3.040 8.772 117 1HD LYS 14 HD2 LYS 14 -15.589 -4.782 9.227 118 2HD LYS 14 HD1 LYS 14 -14.648 -5.943 8.282 119 1HE LYS 14 HE2 LYS 14 -14.391 -6.050 10.812 120 2HE LYS 14 HE1 LYS 14 -12.907 -5.985 9.864 121 1HZ LYS 14 HZ1 LYS 14 -12.673 -3.665 10.354 122 2HZ LYS 14 HZ2 LYS 14 -12.906 -4.495 11.817 123 3HZ LYS 14 HZ3 LYS 14 -14.185 -3.616 11.131 124 H ILE 15 HN ILE 15 -12.336 -3.769 4.816 125 HA ILE 15 HA ILE 15 -10.110 -3.593 6.505 126 HB ILE 15 HB ILE 15 -10.128 -4.032 3.509 127 1HG1 ILE 15 HG12 ILE 15 -10.030 -6.020 5.792 128 2HG1 ILE 15 HG11 ILE 15 -11.458 -5.672 4.825 129 1HG2 ILE 15 HG21 ILE 15 -7.977 -4.619 5.546 130 2HG2 ILE 15 HG22 ILE 15 -7.920 -3.353 4.320 131 3HG2 ILE 15 HG23 ILE 15 -7.924 -5.050 3.837 132 1HD1 ILE 15 HD11 ILE 15 -8.882 -6.826 3.778 133 2HD1 ILE 15 HD12 ILE 15 -10.351 -6.535 2.846 134 3HD1 ILE 15 HD13 ILE 15 -10.349 -7.736 4.137 135 H ILE 16 HN ILE 16 -11.121 -1.536 3.807 136 HA ILE 16 HA ILE 16 -8.862 0.147 3.798 137 HB ILE 16 HB ILE 16 -11.719 0.832 3.077 138 1HG1 ILE 16 HG12 ILE 16 -9.393 -0.027 1.334 139 2HG1 ILE 16 HG11 ILE 16 -10.753 -1.048 1.789 140 1HG2 ILE 16 HG21 ILE 16 -9.142 2.260 2.413 141 2HG2 ILE 16 HG22 ILE 16 -10.413 2.841 3.488 142 3HG2 ILE 16 HG23 ILE 16 -10.729 2.664 1.762 143 1HD1 ILE 16 HD11 ILE 16 -12.271 0.442 0.598 144 2HD1 ILE 16 HD12 ILE 16 -11.009 -0.185 -0.464 145 3HD1 ILE 16 HD13 ILE 16 -10.909 1.466 0.147 146 H GLN 17 HN GLN 17 -11.882 0.243 5.643 147 HA GLN 17 HA GLN 17 -11.360 2.679 6.988 148 1HB GLN 17 HB2 GLN 17 -13.613 1.855 6.910 149 2HB GLN 17 HB1 GLN 17 -13.147 0.341 7.669 150 1HG GLN 17 HG2 GLN 17 -14.344 1.825 9.201 151 2HG GLN 17 HG1 GLN 17 -12.710 1.466 9.753 152 1HE2 GLN 17 HE21 GLN 17 -13.428 3.751 7.206 153 2HE2 GLN 17 HE22 GLN 17 -12.939 5.167 8.078 154 H ASP 18 HN ASP 18 -10.772 -0.716 7.878 155 HA ASP 18 HA ASP 18 -9.637 -0.352 10.383 156 1HB ASP 18 HB2 ASP 18 -9.262 -2.370 8.208 157 2HB ASP 18 HB1 ASP 18 -8.136 -2.383 9.558 158 H LEU 19 HN LEU 19 -8.041 -0.282 7.207 159 HA LEU 19 HA LEU 19 -5.458 0.338 8.152 160 1HB LEU 19 HB2 LEU 19 -6.708 0.952 5.474 161 2HB LEU 19 HB1 LEU 19 -4.994 1.024 5.830 162 HG LEU 19 HG LEU 19 -6.685 -1.474 5.921 163 1HD1 LEU 19 HD11 LEU 19 -4.670 -0.527 3.893 164 2HD1 LEU 19 HD12 LEU 19 -6.409 -0.681 3.649 165 3HD1 LEU 19 HD13 LEU 19 -5.425 -2.120 3.916 166 1HD2 LEU 19 HD21 LEU 19 -3.717 -1.069 6.246 167 2HD2 LEU 19 HD22 LEU 19 -4.523 -2.632 6.112 168 3HD2 LEU 19 HD23 LEU 19 -4.849 -1.587 7.497 169 H LEU 20 HN LEU 20 -8.094 2.409 6.964 170 HA LEU 20 HA LEU 20 -6.710 4.849 7.135 171 1HB LEU 20 HB2 LEU 20 -9.659 4.251 7.331 172 2HB LEU 20 HB1 LEU 20 -9.006 5.876 7.293 173 HG LEU 20 HG LEU 20 -8.754 3.822 5.096 174 1HD1 LEU 20 HD11 LEU 20 -10.357 6.368 5.277 175 2HD1 LEU 20 HD12 LEU 20 -11.003 4.727 5.298 176 3HD1 LEU 20 HD13 LEU 20 -10.209 5.344 3.849 177 1HD2 LEU 20 HD21 LEU 20 -6.788 5.273 5.235 178 2HD2 LEU 20 HD22 LEU 20 -7.835 6.692 5.193 179 3HD2 LEU 20 HD23 LEU 20 -7.746 5.621 3.795 180 H ASP 21 HN ASP 21 -8.488 2.994 9.533 181 HA ASP 21 HA ASP 21 -8.548 4.952 11.547 182 1HB ASP 21 HB2 ASP 21 -9.865 2.857 11.647 183 2HB ASP 21 HB1 ASP 21 -8.372 1.962 11.920 184 H VAL 22 HN VAL 22 -6.145 2.489 10.719 185 HA VAL 22 HA VAL 22 -4.335 2.931 12.807 186 HB VAL 22 HB VAL 22 -3.660 2.246 9.938 187 1HG1 VAL 22 HG11 VAL 22 -1.721 2.963 11.234 188 2HG1 VAL 22 HG12 VAL 22 -1.639 1.241 10.865 189 3HG1 VAL 22 HG13 VAL 22 -2.110 1.779 12.479 190 1HG2 VAL 22 HG21 VAL 22 -3.696 -0.097 10.708 191 2HG2 VAL 22 HG22 VAL 22 -5.278 0.674 10.817 192 3HG2 VAL 22 HG23 VAL 22 -4.306 0.447 12.271 193 H LEU 23 HN LEU 23 -4.794 4.602 9.765 194 HA LEU 23 HA LEU 23 -2.489 6.265 10.006 195 1HB LEU 23 HB2 LEU 23 -4.924 6.590 8.248 196 2HB LEU 23 HB1 LEU 23 -3.405 7.444 8.067 197 HG LEU 23 HG LEU 23 -3.798 4.470 7.715 198 1HD1 LEU 23 HD11 LEU 23 -4.801 5.810 5.927 199 2HD1 LEU 23 HD12 LEU 23 -3.396 4.907 5.361 200 3HD1 LEU 23 HD13 LEU 23 -3.259 6.634 5.690 201 1HD2 LEU 23 HD21 LEU 23 -1.577 4.997 8.577 202 2HD2 LEU 23 HD22 LEU 23 -1.352 6.187 7.296 203 3HD2 LEU 23 HD23 LEU 23 -1.493 4.475 6.894 204 H VAL 24 HN VAL 24 -5.926 6.567 10.733 205 HA VAL 24 HA VAL 24 -5.726 9.352 11.379 206 HB VAL 24 HB VAL 24 -7.840 8.065 10.602 207 1HG1 VAL 24 HG11 VAL 24 -9.307 7.264 12.331 208 2HG1 VAL 24 HG12 VAL 24 -8.120 7.661 13.573 209 3HG1 VAL 24 HG13 VAL 24 -7.781 6.383 12.409 210 1HG2 VAL 24 HG21 VAL 24 -7.808 10.431 11.111 211 2HG2 VAL 24 HG22 VAL 24 -7.966 10.084 12.834 212 3HG2 VAL 24 HG23 VAL 24 -9.286 9.692 11.731 213 H LYS 25 HN LYS 25 -5.379 6.336 13.121 214 HA LYS 25 HA LYS 25 -5.424 7.164 15.757 215 1HB LYS 25 HB2 LYS 25 -3.487 5.317 14.358 216 2HB LYS 25 HB1 LYS 25 -3.412 5.614 16.084 217 1HG LYS 25 HG2 LYS 25 -5.758 4.746 16.243 218 2HG LYS 25 HG1 LYS 25 -5.618 4.270 14.545 219 1HD LYS 25 HD2 LYS 25 -3.638 2.917 15.106 220 2HD LYS 25 HD1 LYS 25 -3.819 3.370 16.799 221 1HE LYS 25 HE2 LYS 25 -4.752 1.213 16.583 222 2HE LYS 25 HE1 LYS 25 -6.111 2.327 16.712 223 1HZ LYS 25 HZ1 LYS 25 -6.523 2.156 14.402 224 2HZ LYS 25 HZ2 LYS 25 -6.320 0.571 14.968 225 3HZ LYS 25 HZ3 LYS 25 -5.065 1.330 14.126 226 H GLU 26 HN GLU 26 -2.860 7.541 13.352 227 HA GLU 26 HA GLU 26 -1.257 9.024 15.318 228 1HB GLU 26 HB2 GLU 26 -0.486 8.005 12.581 229 2HB GLU 26 HB1 GLU 26 0.602 8.698 13.777 230 1HG GLU 26 HG2 GLU 26 -0.968 6.152 14.111 231 2HG GLU 26 HG1 GLU 26 0.739 6.261 13.691 232 H GLU 27 HN GLU 27 -3.416 9.668 12.865 233 HA GLU 27 HA GLU 27 -3.813 11.349 11.385 234 1HB GLU 27 HB2 GLU 27 -2.364 12.969 13.484 235 2HB GLU 27 HB1 GLU 27 -3.321 13.643 12.174 236 1HG GLU 27 HG2 GLU 27 -5.258 12.282 13.122 237 2HG GLU 27 HG1 GLU 27 -4.248 12.080 14.553 238 H VAL 28 HN VAL 28 -1.966 9.911 10.401 239 HA VAL 28 HA VAL 28 0.651 10.886 10.190 240 HB VAL 28 HB VAL 28 0.909 9.323 8.310 241 1HG1 VAL 28 HG11 VAL 28 -0.702 8.194 10.594 242 2HG1 VAL 28 HG12 VAL 28 1.036 8.485 10.598 243 3HG1 VAL 28 HG13 VAL 28 0.346 7.274 9.517 244 1HG2 VAL 28 HG21 VAL 28 -2.066 8.885 8.587 245 2HG2 VAL 28 HG22 VAL 28 -0.973 7.983 7.536 246 3HG2 VAL 28 HG23 VAL 28 -1.267 9.696 7.239 247 H THR 29 HN THR 29 1.739 11.985 8.577 248 HA THR 29 HA THR 29 0.201 13.822 6.974 249 HB THR 29 HB THR 29 2.460 14.617 6.220 250 HG1 THR 29 HG1 THR 29 4.156 13.429 6.622 251 1HG2 THR 29 HG21 THR 29 2.114 14.392 9.213 252 2HG2 THR 29 HG22 THR 29 1.367 15.610 8.177 253 3HG2 THR 29 HG23 THR 29 3.118 15.570 8.371 254 HA PRO 30 HA PRO 30 0.060 11.793 3.037 255 1HB PRO 30 HB2 PRO 30 1.959 13.839 1.978 256 2HB PRO 30 HB1 PRO 30 0.411 13.296 1.322 257 1HG PRO 30 HG2 PRO 30 0.582 15.627 2.580 258 2HG PRO 30 HG1 PRO 30 -0.824 14.575 2.822 259 1HD PRO 30 HD2 PRO 30 1.491 15.089 4.628 260 2HD PRO 30 HD1 PRO 30 -0.210 14.782 5.032 261 H ASP 31 HN ASP 31 3.340 13.030 3.691 262 HA ASP 31 HA ASP 31 4.682 11.052 2.169 263 1HB ASP 31 HB2 ASP 31 6.722 11.860 3.334 264 2HB ASP 31 HB1 ASP 31 5.764 13.172 2.659 265 H LEU 32 HN LEU 32 3.890 11.336 5.596 266 HA LEU 32 HA LEU 32 5.320 9.052 6.447 267 1HB LEU 32 HB2 LEU 32 4.601 10.819 7.979 268 2HB LEU 32 HB1 LEU 32 2.922 10.419 7.673 269 HG LEU 32 HG LEU 32 3.223 8.243 8.749 270 1HD1 LEU 32 HD11 LEU 32 5.550 7.844 8.182 271 2HD1 LEU 32 HD12 LEU 32 5.311 7.731 9.926 272 3HD1 LEU 32 HD13 LEU 32 6.049 9.173 9.228 273 1HD2 LEU 32 HD21 LEU 32 2.542 10.126 10.122 274 2HD2 LEU 32 HD22 LEU 32 4.230 10.558 10.395 275 3HD2 LEU 32 HD23 LEU 32 3.593 9.044 11.038 276 H ALA 33 HN ALA 33 1.977 9.570 5.431 277 HA ALA 33 HA ALA 33 0.960 7.028 6.023 278 1HB ALA 33 HB1 ALA 33 -0.440 8.959 5.447 279 2HB ALA 33 HB2 ALA 33 -0.822 7.549 4.458 280 3HB ALA 33 HB3 ALA 33 0.133 8.868 3.782 281 H LEU 34 HN LEU 34 2.205 8.279 2.938 282 HA LEU 34 HA LEU 34 1.856 5.873 1.513 283 1HB LEU 34 HB2 LEU 34 3.787 8.120 0.938 284 2HB LEU 34 HB1 LEU 34 3.233 6.909 -0.204 285 HG LEU 34 HG LEU 34 1.473 8.982 1.112 286 1HD1 LEU 34 HD11 LEU 34 3.021 9.980 -0.485 287 2HD1 LEU 34 HD12 LEU 34 1.368 10.006 -1.099 288 3HD1 LEU 34 HD13 LEU 34 2.519 8.816 -1.709 289 1HD2 LEU 34 HD21 LEU 34 0.864 7.021 -1.093 290 2HD2 LEU 34 HD22 LEU 34 -0.239 8.226 -0.430 291 3HD2 LEU 34 HD23 LEU 34 0.310 6.882 0.575 292 H MET 35 HN MET 35 4.576 7.173 3.335 293 HA MET 35 HA MET 35 6.499 5.310 2.451 294 1HB MET 35 HB2 MET 35 7.109 7.410 3.544 295 2HB MET 35 HB1 MET 35 6.377 6.859 5.043 296 1HG MET 35 HG2 MET 35 8.034 5.163 5.312 297 2HG MET 35 HG1 MET 35 8.679 5.465 3.700 298 1HE MET 35 HE1 MET 35 8.965 8.586 7.091 299 2HE MET 35 HE2 MET 35 8.165 7.027 7.302 300 3HE MET 35 HE3 MET 35 7.487 8.224 6.199 301 H CYS 36 HN CYS 36 4.293 5.297 5.235 302 HA CYS 36 HA CYS 36 5.239 2.853 6.319 303 1HB CYS 36 HB2 CYS 36 2.509 4.133 6.603 304 2HB CYS 36 HB1 CYS 36 3.154 2.849 7.621 305 HG CYS 36 HG CYS 36 4.035 6.130 7.529 306 H LEU 37 HN LEU 37 2.600 3.655 4.104 307 HA LEU 37 HA LEU 37 1.531 1.078 3.855 308 1HB LEU 37 HB2 LEU 37 1.557 3.379 1.908 309 2HB LEU 37 HB1 LEU 37 0.613 1.919 1.683 310 HG LEU 37 HG LEU 37 0.294 3.844 3.991 311 1HD1 LEU 37 HD11 LEU 37 -0.411 4.836 1.875 312 2HD1 LEU 37 HD12 LEU 37 -1.796 4.490 2.909 313 3HD1 LEU 37 HD13 LEU 37 -1.426 3.432 1.548 314 1HD2 LEU 37 HD21 LEU 37 -1.725 2.571 4.484 315 2HD2 LEU 37 HD22 LEU 37 -0.299 1.535 4.557 316 3HD2 LEU 37 HD23 LEU 37 -1.368 1.467 3.157 317 H GLY 38 HN GLY 38 4.028 2.735 1.952 318 1HA GLY 38 HA2 GLY 38 4.444 0.813 -0.010 319 2HA GLY 38 HA1 GLY 38 5.678 1.909 0.587 320 H ASN 39 HN ASN 39 5.908 0.997 3.220 321 HA ASN 39 HA ASN 39 7.616 -1.240 2.842 322 1HB ASN 39 HB2 ASN 39 6.647 0.236 5.277 323 2HB ASN 39 HB1 ASN 39 7.602 -1.234 5.434 324 1HD2 ASN 39 HD21 ASN 39 7.606 2.104 4.470 325 2HD2 ASN 39 HD22 ASN 39 9.323 2.261 4.337 326 H ALA 40 HN ALA 40 4.357 -0.858 4.127 327 HA ALA 40 HA ALA 40 4.003 -3.480 5.077 328 1HB ALA 40 HB1 ALA 40 1.610 -3.011 4.967 329 2HB ALA 40 HB2 ALA 40 1.927 -1.576 3.992 330 3HB ALA 40 HB3 ALA 40 2.494 -1.652 5.661 331 H VAL 41 HN VAL 41 3.272 -2.015 1.922 332 HA VAL 41 HA VAL 41 2.169 -4.292 0.707 333 HB VAL 41 HB VAL 41 3.759 -2.098 -0.643 334 1HG1 VAL 41 HG11 VAL 41 1.690 -3.994 -1.760 335 2HG1 VAL 41 HG12 VAL 41 3.428 -4.064 -2.056 336 3HG1 VAL 41 HG13 VAL 41 2.489 -2.692 -2.641 337 1HG2 VAL 41 HG21 VAL 41 0.800 -2.281 -0.079 338 2HG2 VAL 41 HG22 VAL 41 1.584 -1.042 -1.061 339 3HG2 VAL 41 HG23 VAL 41 1.943 -1.158 0.662 340 H THR 42 HN THR 42 5.502 -3.079 0.742 341 HA THR 42 HA THR 42 6.650 -5.015 -0.909 342 HB THR 42 HB THR 42 7.986 -3.584 1.398 343 HG1 THR 42 HG1 THR 42 7.156 -2.013 0.074 344 1HG2 THR 42 HG21 THR 42 9.311 -5.438 0.464 345 2HG2 THR 42 HG22 THR 42 10.038 -3.874 0.099 346 3HG2 THR 42 HG23 THR 42 9.140 -4.738 -1.148 347 H ASN 43 HN ASN 43 6.007 -5.039 2.558 348 HA ASN 43 HA ASN 43 7.448 -7.386 3.191 349 1HB ASN 43 HB2 ASN 43 6.590 -5.727 4.862 350 2HB ASN 43 HB1 ASN 43 4.965 -6.335 4.562 351 1HD2 ASN 43 HD21 ASN 43 4.654 -7.074 6.639 352 2HD2 ASN 43 HD22 ASN 43 5.495 -8.436 7.286 353 H ILE 44 HN ILE 44 4.142 -6.821 2.110 354 HA ILE 44 HA ILE 44 3.268 -9.514 2.421 355 HB ILE 44 HB ILE 44 2.140 -7.306 0.690 356 1HG1 ILE 44 HG12 ILE 44 2.149 -6.706 3.047 357 2HG1 ILE 44 HG11 ILE 44 0.501 -7.040 2.526 358 1HG2 ILE 44 HG21 ILE 44 0.907 -9.930 1.521 359 2HG2 ILE 44 HG22 ILE 44 1.368 -9.449 -0.112 360 3HG2 ILE 44 HG23 ILE 44 0.051 -8.616 0.714 361 1HD1 ILE 44 HD11 ILE 44 0.995 -7.959 4.740 362 2HD1 ILE 44 HD12 ILE 44 2.271 -8.953 4.035 363 3HD1 ILE 44 HD13 ILE 44 0.589 -9.218 3.576 364 H ILE 45 HN ILE 45 4.453 -7.624 -0.337 365 HA ILE 45 HA ILE 45 4.110 -9.671 -2.267 366 HB ILE 45 HB ILE 45 6.002 -7.309 -2.338 367 1HG1 ILE 45 HG12 ILE 45 3.183 -7.608 -3.400 368 2HG1 ILE 45 HG11 ILE 45 3.647 -6.667 -1.987 369 1HG2 ILE 45 HG21 ILE 45 6.578 -9.011 -3.991 370 2HG2 ILE 45 HG22 ILE 45 5.921 -7.570 -4.766 371 3HG2 ILE 45 HG23 ILE 45 4.916 -9.008 -4.582 372 1HD1 ILE 45 HD11 ILE 45 4.512 -6.137 -4.819 373 2HD1 ILE 45 HD12 ILE 45 4.973 -5.193 -3.401 374 3HD1 ILE 45 HD13 ILE 45 3.287 -5.246 -3.917 375 H ALA 46 HN ALA 46 6.565 -9.054 0.091 376 HA ALA 46 HA ALA 46 8.626 -10.610 -1.151 377 1HB ALA 46 HB1 ALA 46 8.284 -9.819 1.749 378 2HB ALA 46 HB2 ALA 46 9.138 -8.890 0.518 379 3HB ALA 46 HB3 ALA 46 9.752 -10.467 1.015 380 H GLN 47 HN GLN 47 5.724 -11.461 0.349 381 HA GLN 47 HA GLN 47 6.707 -14.089 1.185 382 1HB GLN 47 HB2 GLN 47 3.945 -12.880 1.423 383 2HB GLN 47 HB1 GLN 47 4.488 -14.381 2.164 384 1HG GLN 47 HG2 GLN 47 6.026 -13.185 3.575 385 2HG GLN 47 HG1 GLN 47 5.653 -11.668 2.757 386 1HE2 GLN 47 HE21 GLN 47 4.983 -10.659 4.615 387 2HE2 GLN 47 HE22 GLN 47 3.507 -11.056 5.419 388 H VAL 48 HN VAL 48 5.809 -12.702 -1.594 389 HA VAL 48 HA VAL 48 4.065 -14.818 -2.590 390 HB VAL 48 HB VAL 48 5.120 -12.394 -4.064 391 1HG1 VAL 48 HG11 VAL 48 4.303 -14.135 -5.536 392 2HG1 VAL 48 HG12 VAL 48 3.183 -12.772 -5.539 393 3HG1 VAL 48 HG13 VAL 48 2.792 -14.232 -4.631 394 1HG2 VAL 48 HG21 VAL 48 3.867 -11.669 -2.109 395 2HG2 VAL 48 HG22 VAL 48 2.524 -12.722 -2.550 396 3HG2 VAL 48 HG23 VAL 48 2.943 -11.351 -3.577 397 HA PRO 49 HA PRO 49 7.523 -17.026 -4.441 398 1HB PRO 49 HB2 PRO 49 5.420 -18.095 -6.230 399 2HB PRO 49 HB1 PRO 49 6.558 -18.959 -5.192 400 1HG PRO 49 HG2 PRO 49 3.962 -18.787 -4.566 401 2HG PRO 49 HG1 PRO 49 5.223 -18.744 -3.319 402 1HD PRO 49 HD2 PRO 49 3.624 -16.496 -4.479 403 2HD PRO 49 HD1 PRO 49 4.141 -16.765 -2.801 404 H GLU 50 HN GLU 50 8.839 -16.224 -5.915 405 HA GLU 50 HA GLU 50 8.752 -14.228 -7.632 406 1HB GLU 50 HB2 GLU 50 9.945 -16.880 -8.421 407 2HB GLU 50 HB1 GLU 50 10.460 -15.285 -8.958 408 1HG GLU 50 HG2 GLU 50 10.423 -15.930 -6.070 409 2HG GLU 50 HG1 GLU 50 11.751 -16.513 -7.078 410 H SER 51 HN SER 51 7.598 -17.454 -8.558 411 HA SER 51 HA SER 51 7.081 -17.090 -11.222 412 1HB SER 51 HB2 SER 51 6.884 -19.228 -9.945 413 2HB SER 51 HB1 SER 51 5.344 -18.660 -9.305 414 HG SER 51 HG SER 51 5.439 -20.062 -11.315 415 H LYS 52 HN LYS 52 5.354 -15.746 -8.543 416 HA LYS 52 HA LYS 52 3.617 -14.366 -10.458 417 1HB LYS 52 HB2 LYS 52 1.760 -14.503 -8.785 418 2HB LYS 52 HB1 LYS 52 2.206 -16.046 -9.500 419 1HG LYS 52 HG2 LYS 52 3.548 -16.548 -7.482 420 2HG LYS 52 HG1 LYS 52 2.965 -15.046 -6.764 421 1HD LYS 52 HD2 LYS 52 1.235 -17.349 -7.661 422 2HD LYS 52 HD1 LYS 52 1.693 -17.002 -5.994 423 1HE LYS 52 HE2 LYS 52 0.560 -14.820 -6.163 424 2HE LYS 52 HE1 LYS 52 0.063 -15.224 -7.807 425 1HZ LYS 52 HZ1 LYS 52 -1.723 -15.676 -6.288 426 2HZ LYS 52 HZ2 LYS 52 -0.726 -16.647 -5.321 427 3HZ LYS 52 HZ3 LYS 52 -1.136 -17.153 -6.887 428 H ARG 53 HN ARG 53 6.037 -14.008 -8.275 429 HA ARG 53 HA ARG 53 4.991 -11.927 -6.616 430 1HB ARG 53 HB2 ARG 53 7.045 -13.418 -6.176 431 2HB ARG 53 HB1 ARG 53 7.915 -12.304 -7.224 432 1HG ARG 53 HG2 ARG 53 6.833 -10.509 -5.627 433 2HG ARG 53 HG1 ARG 53 6.788 -11.878 -4.517 434 1HD ARG 53 HD2 ARG 53 9.227 -10.824 -5.932 435 2HD ARG 53 HD1 ARG 53 8.815 -10.542 -4.244 436 HE ARG 53 HE ARG 53 9.918 -12.932 -5.410 437 1HH1 ARG 53 HH11 ARG 53 8.243 -11.641 -2.658 438 2HH1 ARG 53 HH12 ARG 53 8.969 -12.757 -1.541 439 1HH2 ARG 53 HH21 ARG 53 10.908 -14.356 -3.985 440 2HH2 ARG 53 HH22 ARG 53 10.502 -14.301 -2.297 441 H VAL 54 HN VAL 54 6.845 -11.973 -9.626 442 HA VAL 54 HA VAL 54 7.294 -9.152 -9.672 443 HB VAL 54 HB VAL 54 7.348 -11.070 -12.011 444 1HG1 VAL 54 HG11 VAL 54 8.919 -9.430 -12.982 445 2HG1 VAL 54 HG12 VAL 54 8.614 -8.361 -11.612 446 3HG1 VAL 54 HG13 VAL 54 7.307 -8.766 -12.725 447 1HG2 VAL 54 HG21 VAL 54 9.790 -11.191 -11.591 448 2HG2 VAL 54 HG22 VAL 54 8.823 -11.905 -10.300 449 3HG2 VAL 54 HG23 VAL 54 9.541 -10.309 -10.084 450 H ALA 55 HN ALA 55 4.844 -11.319 -10.902 451 HA ALA 55 HA ALA 55 3.471 -9.512 -12.555 452 1HB ALA 55 HB1 ALA 55 1.598 -11.058 -12.400 453 2HB ALA 55 HB2 ALA 55 2.370 -11.871 -11.039 454 3HB ALA 55 HB3 ALA 55 3.116 -11.928 -12.636 455 H VAL 56 HN VAL 56 2.936 -10.394 -9.136 456 HA VAL 56 HA VAL 56 0.638 -8.750 -8.869 457 HB VAL 56 HB VAL 56 0.860 -9.110 -6.429 458 1HG1 VAL 56 HG11 VAL 56 1.176 -11.572 -8.136 459 2HG1 VAL 56 HG12 VAL 56 -0.331 -10.735 -7.765 460 3HG1 VAL 56 HG13 VAL 56 0.562 -11.552 -6.482 461 1HG2 VAL 56 HG21 VAL 56 3.269 -9.111 -6.205 462 2HG2 VAL 56 HG22 VAL 56 3.382 -10.581 -7.172 463 3HG2 VAL 56 HG23 VAL 56 2.606 -10.624 -5.588 464 H VAL 57 HN VAL 57 4.078 -8.147 -8.211 465 HA VAL 57 HA VAL 57 3.577 -5.730 -6.792 466 HB VAL 57 HB VAL 57 5.676 -6.928 -6.457 467 1HG1 VAL 57 HG11 VAL 57 6.094 -7.764 -8.686 468 2HG1 VAL 57 HG12 VAL 57 7.475 -6.816 -8.134 469 3HG1 VAL 57 HG13 VAL 57 6.332 -6.123 -9.286 470 1HG2 VAL 57 HG21 VAL 57 5.617 -4.572 -5.928 471 2HG2 VAL 57 HG22 VAL 57 6.055 -4.164 -7.587 472 3HG2 VAL 57 HG23 VAL 57 7.205 -5.013 -6.555 473 H ASP 58 HN ASP 58 4.290 -6.458 -10.187 474 HA ASP 58 HA ASP 58 4.442 -3.696 -10.930 475 1HB ASP 58 HB2 ASP 58 5.410 -5.738 -12.201 476 2HB ASP 58 HB1 ASP 58 3.784 -5.910 -12.855 477 H ASN 59 HN ASN 59 1.948 -6.165 -10.901 478 HA ASN 59 HA ASN 59 -0.089 -4.731 -12.185 479 1HB ASN 59 HB2 ASN 59 -0.223 -7.148 -11.651 480 2HB ASN 59 HB1 ASN 59 -0.359 -6.746 -9.942 481 1HD2 ASN 59 HD21 ASN 59 -2.365 -7.686 -9.717 482 2HD2 ASN 59 HD22 ASN 59 -3.793 -6.991 -10.393 483 H PHE 60 HN PHE 60 0.938 -4.835 -8.806 484 HA PHE 60 HA PHE 60 -1.035 -3.190 -7.702 485 1HB PHE 60 HB2 PHE 60 0.617 -4.457 -6.361 486 2HB PHE 60 HB1 PHE 60 1.885 -3.371 -6.927 487 HD1 PHE 60 HD1 PHE 60 -1.480 -3.108 -5.313 488 HD2 PHE 60 HD2 PHE 60 2.542 -1.739 -5.491 489 HE1 PHE 60 HE1 PHE 60 -1.911 -1.601 -3.414 490 HE2 PHE 60 HE2 PHE 60 2.116 -0.234 -3.597 491 HZ PHE 60 HZ PHE 60 -0.103 -0.165 -2.554 492 H THR 61 HN THR 61 2.145 -2.354 -9.047 493 HA THR 61 HA THR 61 1.835 0.432 -8.682 494 HB THR 61 HB THR 61 3.779 0.640 -10.214 495 HG1 THR 61 HG1 THR 61 2.980 -1.751 -11.072 496 1HG2 THR 61 HG21 THR 61 4.162 0.266 -7.855 497 2HG2 THR 61 HG22 THR 61 5.358 -0.630 -8.795 498 3HG2 THR 61 HG23 THR 61 3.990 -1.477 -8.073 499 H LYS 62 HN LYS 62 0.923 -1.766 -11.207 500 HA LYS 62 HA LYS 62 0.306 0.119 -13.229 501 1HB LYS 62 HB2 LYS 62 0.538 -2.429 -13.417 502 2HB LYS 62 HB1 LYS 62 -1.094 -2.515 -12.775 503 1HG LYS 62 HG2 LYS 62 -1.825 -1.082 -14.692 504 2HG LYS 62 HG1 LYS 62 -0.205 -1.285 -15.368 505 1HD LYS 62 HD2 LYS 62 -0.595 -3.792 -15.145 506 2HD LYS 62 HD1 LYS 62 -2.290 -3.396 -14.852 507 1HE LYS 62 HE2 LYS 62 -2.186 -3.826 -17.146 508 2HE LYS 62 HE1 LYS 62 -2.160 -2.065 -17.037 509 1HZ LYS 62 HZ1 LYS 62 -0.458 -2.457 -18.496 510 2HZ LYS 62 HZ2 LYS 62 -0.007 -3.918 -17.770 511 3HZ LYS 62 HZ3 LYS 62 0.411 -2.450 -17.034 512 H ALA 63 HN ALA 63 -1.700 -1.553 -10.810 513 HA ALA 63 HA ALA 63 -4.112 -0.233 -11.394 514 1HB ALA 63 HB1 ALA 63 -3.972 -2.318 -10.105 515 2HB ALA 63 HB2 ALA 63 -4.895 -1.077 -9.256 516 3HB ALA 63 HB3 ALA 63 -3.239 -1.433 -8.768 517 H LEU 64 HN LEU 64 -1.444 0.588 -9.247 518 HA LEU 64 HA LEU 64 -2.604 2.709 -7.856 519 1HB LEU 64 HB2 LEU 64 0.209 2.074 -8.652 520 2HB LEU 64 HB1 LEU 64 -0.152 3.617 -7.903 521 HG LEU 64 HG LEU 64 -0.767 0.933 -6.664 522 1HD1 LEU 64 HD11 LEU 64 1.638 1.299 -6.843 523 2HD1 LEU 64 HD12 LEU 64 1.104 1.433 -5.167 524 3HD1 LEU 64 HD13 LEU 64 1.462 2.886 -6.099 525 1HD2 LEU 64 HD21 LEU 64 -0.864 3.732 -5.540 526 2HD2 LEU 64 HD22 LEU 64 -1.178 2.241 -4.649 527 3HD2 LEU 64 HD23 LEU 64 -2.260 2.735 -5.950 528 H LYS 65 HN LYS 65 -0.665 2.867 -10.856 529 HA LYS 65 HA LYS 65 -1.054 5.645 -11.173 530 1HB LYS 65 HB2 LYS 65 -0.241 3.509 -13.141 531 2HB LYS 65 HB1 LYS 65 -0.274 5.227 -13.531 532 1HG LYS 65 HG2 LYS 65 1.342 5.653 -11.736 533 2HG LYS 65 HG1 LYS 65 1.391 3.926 -11.382 534 1HD LYS 65 HD2 LYS 65 2.323 3.457 -13.545 535 2HD LYS 65 HD1 LYS 65 2.112 5.137 -14.048 536 1HE LYS 65 HE2 LYS 65 3.698 5.856 -12.345 537 2HE LYS 65 HE1 LYS 65 3.888 4.192 -11.798 538 1HZ LYS 65 HZ1 LYS 65 4.524 5.085 -14.553 539 2HZ LYS 65 HZ2 LYS 65 4.929 3.604 -13.825 540 3HZ LYS 65 HZ3 LYS 65 5.668 5.044 -13.302 541 H GLN 66 HN GLN 66 -2.963 2.890 -12.074 542 HA GLN 66 HA GLN 66 -4.653 4.236 -13.929 543 1HB GLN 66 HB2 GLN 66 -4.398 1.769 -13.824 544 2HB GLN 66 HB1 GLN 66 -5.215 1.768 -12.269 545 1HG GLN 66 HG2 GLN 66 -7.251 2.556 -13.289 546 2HG GLN 66 HG1 GLN 66 -6.443 2.712 -14.850 547 1HE2 GLN 66 HE21 GLN 66 -7.799 0.520 -12.529 548 2HE2 GLN 66 HE22 GLN 66 -7.772 -0.890 -13.536 549 H SER 67 HN SER 67 -4.778 3.651 -10.445 550 HA SER 67 HA SER 67 -7.391 4.843 -10.197 551 1HB SER 67 HB2 SER 67 -6.882 4.594 -7.703 552 2HB SER 67 HB1 SER 67 -6.971 3.110 -8.650 553 HG SER 67 HG SER 67 -4.823 2.871 -8.524 554 H VAL 68 HN VAL 68 -4.049 5.829 -9.597 555 HA VAL 68 HA VAL 68 -4.649 8.305 -8.373 556 HB VAL 68 HB VAL 68 -2.192 7.430 -9.906 557 1HG1 VAL 68 HG11 VAL 68 -2.324 9.861 -9.949 558 2HG1 VAL 68 HG12 VAL 68 -1.039 9.328 -8.864 559 3HG1 VAL 68 HG13 VAL 68 -2.574 9.891 -8.202 560 1HG2 VAL 68 HG21 VAL 68 -2.787 7.630 -6.954 561 2HG2 VAL 68 HG22 VAL 68 -1.213 7.236 -7.646 562 3HG2 VAL 68 HG23 VAL 68 -2.582 6.150 -7.891 563 H LEU 69 HN LEU 69 -4.523 7.305 -11.724 564 HA LEU 69 HA LEU 69 -4.864 10.019 -12.682 565 1HB LEU 69 HB2 LEU 69 -4.563 7.342 -13.935 566 2HB LEU 69 HB1 LEU 69 -5.421 8.562 -14.854 567 HG LEU 69 HG LEU 69 -3.468 10.039 -14.749 568 1HD1 LEU 69 HD11 LEU 69 -2.133 7.765 -13.290 569 2HD1 LEU 69 HD12 LEU 69 -2.520 9.354 -12.627 570 3HD1 LEU 69 HD13 LEU 69 -1.322 9.203 -13.913 571 1HD2 LEU 69 HD21 LEU 69 -2.006 8.754 -16.216 572 2HD2 LEU 69 HD22 LEU 69 -3.703 8.494 -16.617 573 3HD2 LEU 69 HD23 LEU 69 -2.811 7.265 -15.720 574 H GLU 70 HN GLU 70 -6.831 7.830 -11.207 575 HA GLU 70 HA GLU 70 -9.224 8.937 -12.507 576 1HB GLU 70 HB2 GLU 70 -9.077 6.481 -12.582 577 2HB GLU 70 HB1 GLU 70 -8.942 6.427 -10.833 578 1HG GLU 70 HG2 GLU 70 -11.193 5.851 -11.795 579 2HG GLU 70 HG1 GLU 70 -11.182 7.083 -10.537 580 H HIS 71 HN HIS 71 -9.976 7.540 -9.558 581 HA HIS 71 HA HIS 71 -11.058 8.442 -7.769 582 1HB HIS 71 HB2 HIS 71 -9.583 9.510 -6.159 583 2HB HIS 71 HB1 HIS 71 -8.764 8.170 -6.945 584 HD1 HIS 71 HD1 HIS 71 -8.857 11.977 -7.066 585 HD2 HIS 71 HD2 HIS 71 -6.355 8.799 -8.021 586 HE1 HIS 71 HE1 HIS 71 -6.669 13.013 -7.726 587 HE2 HIS 71 HE2 HIS 71 -5.291 11.085 -8.570 588 H HIS 72 HN HIS 72 -11.674 9.947 -10.129 589 HA HIS 72 HA HIS 72 -11.335 12.722 -9.715 590 1HB HIS 72 HB2 HIS 72 -11.879 11.660 -11.915 591 2HB HIS 72 HB1 HIS 72 -13.519 11.392 -11.330 592 HD1 HIS 72 HD1 HIS 72 -14.991 13.049 -12.448 593 HD2 HIS 72 HD2 HIS 72 -11.339 14.705 -11.332 594 HE1 HIS 72 HE1 HIS 72 -15.153 15.495 -13.002 595 HE2 HIS 72 HE2 HIS 72 -12.872 16.433 -12.496 596 H HIS 73 HN HIS 73 -13.758 10.452 -8.644 597 HA HIS 73 HA HIS 73 -14.908 12.616 -7.026 598 1HB HIS 73 HB2 HIS 73 -16.253 11.037 -9.001 599 2HB HIS 73 HB1 HIS 73 -16.906 10.640 -7.415 600 HD1 HIS 73 HD1 HIS 73 -18.458 12.322 -6.343 601 HD2 HIS 73 HD2 HIS 73 -16.535 13.815 -9.718 602 HE1 HIS 73 HE1 HIS 73 -19.574 14.517 -6.848 603 HE2 HIS 73 HE2 HIS 73 -18.386 15.417 -8.874 604 H HIS 74 HN HIS 74 -14.221 12.198 -5.029 605 HA HIS 74 HA HIS 74 -14.034 9.459 -4.063 606 1HB HIS 74 HB2 HIS 74 -12.270 11.007 -3.401 607 2HB HIS 74 HB1 HIS 74 -13.455 12.115 -2.723 608 HD1 HIS 74 HD1 HIS 74 -11.917 8.715 -2.078 609 HD2 HIS 74 HD2 HIS 74 -14.188 11.606 -0.125 610 HE1 HIS 74 HE1 HIS 74 -11.999 8.005 0.337 611 HE2 HIS 74 HE2 HIS 74 -13.572 9.643 1.439 612 H HIS 75 HN HIS 75 -15.904 12.395 -3.500 613 HA HIS 75 HA HIS 75 -17.701 11.084 -1.648 614 1HB HIS 75 HB2 HIS 75 -17.117 13.536 -1.528 615 2HB HIS 75 HB1 HIS 75 -18.011 13.767 -3.025 616 HD1 HIS 75 HD1 HIS 75 -18.410 13.605 0.608 617 HD2 HIS 75 HD2 HIS 75 -20.869 13.291 -2.732 618 HE1 HIS 75 HE1 HIS 75 -20.753 13.894 1.462 619 HE2 HIS 75 HE2 HIS 75 -22.223 13.808 -0.583 620 H HIS 76 HN HIS 76 -19.387 9.874 -2.257 621 HA HIS 76 HA HIS 76 -20.539 10.365 -4.924 622 1HB HIS 76 HB2 HIS 76 -20.237 7.751 -3.433 623 2HB HIS 76 HB1 HIS 76 -21.272 7.943 -4.841 624 HD1 HIS 76 HD1 HIS 76 -18.356 6.356 -4.256 625 HD2 HIS 76 HD2 HIS 76 -19.269 9.480 -6.855 626 HE1 HIS 76 HE1 HIS 76 -16.598 6.286 -6.051 627 HE2 HIS 76 HE2 HIS 76 -17.178 8.163 -7.634 628 1H MET 1 HT1 MET 1 4.167 26.793 5.649 629 2H MET 1 HT2 MET 1 3.519 25.869 6.916 630 3H MET 1 HT3 MET 1 4.200 25.100 5.566 631 HA MET 1 HA MET 1 6.368 25.929 6.115 632 1HB MET 1 HB2 MET 1 4.980 27.127 8.525 633 2HB MET 1 HB1 MET 1 6.719 27.063 8.295 634 1HG MET 1 HG2 MET 1 6.053 29.245 7.738 635 2HG MET 1 HG1 MET 1 6.391 28.428 6.214 636 1HE MET 1 HE1 MET 1 3.652 29.851 8.610 637 2HE MET 1 HE2 MET 1 3.214 28.143 8.556 638 3HE MET 1 HE3 MET 1 2.159 29.347 7.816 639 HA PRO 2 HA PRO 2 6.390 22.025 8.316 640 1HB PRO 2 HB2 PRO 2 9.309 22.294 8.256 641 2HB PRO 2 HB1 PRO 2 8.286 21.077 7.492 642 1HG PRO 2 HG2 PRO 2 9.595 22.950 6.066 643 2HG PRO 2 HG1 PRO 2 8.013 22.318 5.573 644 1HD PRO 2 HD2 PRO 2 8.676 24.896 6.955 645 2HD PRO 2 HD1 PRO 2 7.525 24.589 5.636 646 H ILE 3 HN ILE 3 5.706 22.520 10.356 647 HA ILE 3 HA ILE 3 7.104 24.322 12.074 648 HB ILE 3 HB ILE 3 4.945 22.360 12.857 649 1HG1 ILE 3 HG12 ILE 3 4.621 25.217 11.916 650 2HG1 ILE 3 HG11 ILE 3 4.299 23.804 10.918 651 1HG2 ILE 3 HG21 ILE 3 5.798 24.983 14.083 652 2HG2 ILE 3 HG22 ILE 3 6.152 23.380 14.728 653 3HG2 ILE 3 HG23 ILE 3 4.485 23.951 14.649 654 1HD1 ILE 3 HD11 ILE 3 2.256 24.764 11.846 655 2HD1 ILE 3 HD12 ILE 3 2.871 24.495 13.478 656 3HD1 ILE 3 HD13 ILE 3 2.527 23.120 12.426 657 H VAL 4 HN VAL 4 6.132 21.046 13.002 658 HA VAL 4 HA VAL 4 8.887 20.455 13.829 659 HB VAL 4 HB VAL 4 8.046 19.474 15.958 660 1HG1 VAL 4 HG11 VAL 4 7.481 22.415 15.602 661 2HG1 VAL 4 HG12 VAL 4 9.040 21.686 15.988 662 3HG1 VAL 4 HG13 VAL 4 7.714 21.598 17.148 663 1HG2 VAL 4 HG21 VAL 4 5.809 20.155 16.767 664 2HG2 VAL 4 HG22 VAL 4 5.738 19.086 15.367 665 3HG2 VAL 4 HG23 VAL 4 5.463 20.817 15.170 666 H SER 5 HN SER 5 6.913 19.613 11.708 667 HA SER 5 HA SER 5 6.084 16.959 12.403 668 1HB SER 5 HB2 SER 5 5.443 16.922 9.918 669 2HB SER 5 HB1 SER 5 4.626 18.103 10.944 670 HG SER 5 HG SER 5 6.792 18.548 9.165 671 H LYS 6 HN LYS 6 8.188 16.133 12.966 672 HA LYS 6 HA LYS 6 9.650 15.174 10.591 673 1HB LYS 6 HB2 LYS 6 10.749 15.736 13.355 674 2HB LYS 6 HB1 LYS 6 11.660 15.019 12.035 675 1HG LYS 6 HG2 LYS 6 10.433 17.767 11.962 676 2HG LYS 6 HG1 LYS 6 12.114 17.426 12.380 677 1HD LYS 6 HD2 LYS 6 12.412 16.376 10.161 678 2HD LYS 6 HD1 LYS 6 10.754 16.819 9.755 679 1HE LYS 6 HE2 LYS 6 12.327 18.423 8.820 680 2HE LYS 6 HE1 LYS 6 11.314 19.183 10.047 681 1HZ LYS 6 HZ1 LYS 6 13.106 19.042 11.623 682 2HZ LYS 6 HZ2 LYS 6 13.675 19.803 10.216 683 3HZ LYS 6 HZ3 LYS 6 14.072 18.184 10.523 684 H TYR 7 HN TYR 7 7.715 14.418 13.180 685 HA TYR 7 HA TYR 7 7.356 12.657 14.547 686 1HB TYR 7 HB2 TYR 7 7.031 10.476 13.182 687 2HB TYR 7 HB1 TYR 7 5.973 11.844 12.901 688 HD1 TYR 7 HD2 TYR 7 8.840 9.944 11.515 689 HD2 TYR 7 HD1 TYR 7 5.833 12.859 10.771 690 HE1 TYR 7 HE2 TYR 7 9.300 9.797 9.101 691 HE2 TYR 7 HE1 TYR 7 6.278 12.713 8.356 692 HH TYR 7 HH TYR 7 7.693 11.933 6.772 693 H SER 8 HN SER 8 8.296 9.865 13.689 694 HA SER 8 HA SER 8 11.099 9.943 14.387 695 1HB SER 8 HB2 SER 8 9.919 10.162 16.580 696 2HB SER 8 HB1 SER 8 9.092 8.641 16.254 697 HG SER 8 HG SER 8 11.386 8.954 17.444 698 H ASN 9 HN ASN 9 12.149 7.981 13.935 699 HA ASN 9 HA ASN 9 10.982 6.342 11.961 700 1HB ASN 9 HB2 ASN 9 13.430 6.646 12.263 701 2HB ASN 9 HB1 ASN 9 13.342 5.694 13.738 702 1HD2 ASN 9 HD21 ASN 9 13.185 5.626 10.272 703 2HD2 ASN 9 HD22 ASN 9 13.321 3.914 10.097 704 H GLU 10 HN GLU 10 11.304 6.016 15.429 705 HA GLU 10 HA GLU 10 10.396 3.438 15.865 706 1HB GLU 10 HB2 GLU 10 11.192 4.801 17.691 707 2HB GLU 10 HB1 GLU 10 9.913 5.979 17.432 708 1HG GLU 10 HG2 GLU 10 8.303 4.071 17.964 709 2HG GLU 10 HG1 GLU 10 9.719 3.225 18.589 710 H ARG 11 HN ARG 11 8.540 6.431 15.480 711 HA ARG 11 HA ARG 11 6.009 5.259 15.878 712 1HB ARG 11 HB2 ARG 11 6.583 7.721 16.047 713 2HB ARG 11 HB1 ARG 11 6.559 7.767 14.288 714 1HG ARG 11 HG2 ARG 11 4.251 7.214 14.224 715 2HG ARG 11 HG1 ARG 11 4.231 6.846 15.948 716 1HD ARG 11 HD2 ARG 11 4.877 9.269 16.325 717 2HD ARG 11 HD1 ARG 11 4.505 9.531 14.620 718 HE ARG 11 HE ARG 11 2.356 8.200 15.887 719 1HH1 ARG 11 HH11 ARG 11 3.842 11.379 15.687 720 2HH1 ARG 11 HH12 ARG 11 2.387 12.217 16.115 721 1HH2 ARG 11 HH21 ARG 11 0.464 9.305 16.444 722 2HH2 ARG 11 HH22 ARG 11 0.453 11.041 16.522 723 H VAL 12 HN VAL 12 7.877 5.978 12.960 724 HA VAL 12 HA VAL 12 5.961 5.300 11.045 725 HB VAL 12 HB VAL 12 8.951 4.899 10.852 726 1HG1 VAL 12 HG11 VAL 12 8.612 5.117 8.434 727 2HG1 VAL 12 HG12 VAL 12 6.869 5.193 8.690 728 3HG1 VAL 12 HG13 VAL 12 7.755 3.722 9.093 729 1HG2 VAL 12 HG21 VAL 12 7.254 7.290 10.156 730 2HG2 VAL 12 HG22 VAL 12 8.967 7.109 9.775 731 3HG2 VAL 12 HG23 VAL 12 8.441 7.184 11.457 732 H GLU 13 HN GLU 13 8.493 3.273 12.501 733 HA GLU 13 HA GLU 13 7.862 0.919 11.102 734 1HB GLU 13 HB2 GLU 13 9.989 1.396 12.325 735 2HB GLU 13 HB1 GLU 13 9.125 1.167 13.836 736 1HG GLU 13 HG2 GLU 13 8.881 -1.064 11.958 737 2HG GLU 13 HG1 GLU 13 10.521 -0.754 12.520 738 H LYS 14 HN LYS 14 6.630 2.284 14.085 739 HA LYS 14 HA LYS 14 5.175 -0.015 14.908 740 1HB LYS 14 HB2 LYS 14 5.854 1.787 16.448 741 2HB LYS 14 HB1 LYS 14 4.756 2.889 15.630 742 1HG LYS 14 HG2 LYS 14 2.851 1.668 16.384 743 2HG LYS 14 HG1 LYS 14 3.868 0.366 17.008 744 1HD LYS 14 HD2 LYS 14 3.847 3.215 18.016 745 2HD LYS 14 HD1 LYS 14 3.060 1.844 18.802 746 1HE LYS 14 HE2 LYS 14 5.232 0.749 19.065 747 2HE LYS 14 HE1 LYS 14 6.019 2.110 18.272 748 1HZ LYS 14 HZ1 LYS 14 4.499 2.263 20.824 749 2HZ LYS 14 HZ2 LYS 14 5.325 3.543 20.074 750 3HZ LYS 14 HZ3 LYS 14 6.191 2.219 20.689 751 H ILE 15 HN ILE 15 4.368 2.838 12.969 752 HA ILE 15 HA ILE 15 1.594 2.365 12.751 753 HB ILE 15 HB ILE 15 3.440 3.712 10.766 754 1HG1 ILE 15 HG12 ILE 15 1.626 4.892 12.882 755 2HG1 ILE 15 HG11 ILE 15 3.373 4.732 13.032 756 1HG2 ILE 15 HG21 ILE 15 1.339 2.979 9.728 757 2HG2 ILE 15 HG22 ILE 15 1.434 4.737 9.834 758 3HG2 ILE 15 HG23 ILE 15 0.428 3.838 10.970 759 1HD1 ILE 15 HD11 ILE 15 2.741 6.993 12.424 760 2HD1 ILE 15 HD12 ILE 15 1.921 6.389 10.983 761 3HD1 ILE 15 HD13 ILE 15 3.671 6.232 11.133 762 H ILE 16 HN ILE 16 4.314 1.391 10.703 763 HA ILE 16 HA ILE 16 2.921 -0.043 8.759 764 HB ILE 16 HB ILE 16 5.643 -0.716 9.898 765 1HG1 ILE 16 HG12 ILE 16 4.968 1.051 7.537 766 2HG1 ILE 16 HG11 ILE 16 5.361 1.664 9.139 767 1HG2 ILE 16 HG21 ILE 16 4.449 -1.313 7.192 768 2HG2 ILE 16 HG22 ILE 16 4.675 -2.483 8.493 769 3HG2 ILE 16 HG23 ILE 16 6.076 -1.733 7.729 770 1HD1 ILE 16 HD11 ILE 16 7.278 1.777 7.669 771 2HD1 ILE 16 HD12 ILE 16 7.174 0.043 7.370 772 3HD1 ILE 16 HD13 ILE 16 7.573 0.637 8.981 773 H GLN 17 HN GLN 17 3.997 -0.974 11.981 774 HA GLN 17 HA GLN 17 3.405 -3.732 11.732 775 1HB GLN 17 HB2 GLN 17 4.930 -2.860 13.446 776 2HB GLN 17 HB1 GLN 17 3.589 -2.030 14.221 777 1HG GLN 17 HG2 GLN 17 4.183 -4.102 15.371 778 2HG GLN 17 HG1 GLN 17 2.535 -4.140 14.744 779 1HE2 GLN 17 HE21 GLN 17 5.348 -4.536 12.712 780 2HE2 GLN 17 HE22 GLN 17 5.095 -6.212 12.363 781 H ASP 18 HN ASP 18 1.562 -0.975 12.986 782 HA ASP 18 HA ASP 18 -0.635 -2.464 13.945 783 1HB ASP 18 HB2 ASP 18 0.010 0.048 14.303 784 2HB ASP 18 HB1 ASP 18 -0.954 0.316 12.858 785 H LEU 19 HN LEU 19 0.139 -1.080 10.808 786 HA LEU 19 HA LEU 19 -2.254 -1.729 9.468 787 1HB LEU 19 HB2 LEU 19 0.577 -1.548 8.430 788 2HB LEU 19 HB1 LEU 19 -0.838 -1.686 7.407 789 HG LEU 19 HG LEU 19 -0.355 0.612 9.307 790 1HD1 LEU 19 HD11 LEU 19 0.099 0.466 6.327 791 2HD1 LEU 19 HD12 LEU 19 1.360 0.553 7.558 792 3HD1 LEU 19 HD13 LEU 19 0.251 1.907 7.333 793 1HD2 LEU 19 HD21 LEU 19 -2.332 0.209 7.063 794 2HD2 LEU 19 HD22 LEU 19 -2.112 1.700 7.977 795 3HD2 LEU 19 HD23 LEU 19 -2.702 0.249 8.787 796 H LEU 20 HN LEU 20 0.751 -3.535 9.969 797 HA LEU 20 HA LEU 20 0.049 -5.804 8.451 798 1HB LEU 20 HB2 LEU 20 1.920 -5.563 10.809 799 2HB LEU 20 HB1 LEU 20 1.802 -6.972 9.773 800 HG LEU 20 HG LEU 20 2.675 -4.220 8.887 801 1HD1 LEU 20 HD11 LEU 20 4.883 -5.253 8.643 802 2HD1 LEU 20 HD12 LEU 20 4.255 -6.745 9.346 803 3HD1 LEU 20 HD13 LEU 20 4.325 -5.275 10.317 804 1HD2 LEU 20 HD21 LEU 20 3.270 -5.323 6.788 805 2HD2 LEU 20 HD22 LEU 20 1.541 -5.444 7.111 806 3HD2 LEU 20 HD23 LEU 20 2.590 -6.836 7.387 807 H ASP 21 HN ASP 21 -0.298 -5.085 11.917 808 HA ASP 21 HA ASP 21 -1.462 -7.415 12.822 809 1HB ASP 21 HB2 ASP 21 -2.111 -4.553 13.535 810 2HB ASP 21 HB1 ASP 21 -2.822 -5.922 14.376 811 H VAL 22 HN VAL 22 -3.026 -4.717 11.155 812 HA VAL 22 HA VAL 22 -5.654 -5.737 11.194 813 HB VAL 22 HB VAL 22 -4.334 -3.841 9.246 814 1HG1 VAL 22 HG11 VAL 22 -7.268 -4.452 9.610 815 2HG1 VAL 22 HG12 VAL 22 -6.284 -4.886 8.211 816 3HG1 VAL 22 HG13 VAL 22 -6.598 -3.189 8.578 817 1HG2 VAL 22 HG21 VAL 22 -5.517 -2.116 10.522 818 2HG2 VAL 22 HG22 VAL 22 -4.398 -3.025 11.536 819 3HG2 VAL 22 HG23 VAL 22 -6.129 -3.353 11.621 820 H LEU 23 HN LEU 23 -3.108 -5.931 8.724 821 HA LEU 23 HA LEU 23 -4.604 -7.281 6.782 822 1HB LEU 23 HB2 LEU 23 -1.631 -7.369 7.283 823 2HB LEU 23 HB1 LEU 23 -2.423 -7.916 5.817 824 HG LEU 23 HG LEU 23 -2.404 -5.073 6.836 825 1HD1 LEU 23 HD11 LEU 23 -0.904 -6.374 4.570 826 2HD1 LEU 23 HD12 LEU 23 -0.216 -5.725 6.059 827 3HD1 LEU 23 HD13 LEU 23 -0.966 -4.640 4.888 828 1HD2 LEU 23 HD21 LEU 23 -4.433 -5.545 5.611 829 2HD2 LEU 23 HD22 LEU 23 -3.507 -6.263 4.293 830 3HD2 LEU 23 HD23 LEU 23 -3.367 -4.537 4.631 831 H VAL 24 HN VAL 24 -2.520 -8.542 9.359 832 HA VAL 24 HA VAL 24 -2.856 -11.274 8.604 833 HB VAL 24 HB VAL 24 -1.989 -10.163 11.280 834 1HG1 VAL 24 HG11 VAL 24 -2.656 -12.490 11.425 835 2HG1 VAL 24 HG12 VAL 24 -0.902 -12.354 11.560 836 3HG1 VAL 24 HG13 VAL 24 -1.631 -12.891 10.047 837 1HG2 VAL 24 HG21 VAL 24 -0.555 -9.335 9.505 838 2HG2 VAL 24 HG22 VAL 24 -0.350 -10.973 8.880 839 3HG2 VAL 24 HG23 VAL 24 0.302 -10.545 10.463 840 H LYS 25 HN LYS 25 -4.592 -9.056 10.666 841 HA LYS 25 HA LYS 25 -6.146 -10.879 12.133 842 1HB LYS 25 HB2 LYS 25 -6.003 -8.455 12.627 843 2HB LYS 25 HB1 LYS 25 -6.921 -8.116 11.167 844 1HG LYS 25 HG2 LYS 25 -8.862 -9.206 12.067 845 2HG LYS 25 HG1 LYS 25 -7.950 -9.748 13.477 846 1HD LYS 25 HD2 LYS 25 -8.749 -7.907 14.465 847 2HD LYS 25 HD1 LYS 25 -7.523 -7.054 13.532 848 1HE LYS 25 HE2 LYS 25 -10.370 -7.516 12.649 849 2HE LYS 25 HE1 LYS 25 -9.770 -6.030 13.375 850 1HZ LYS 25 HZ1 LYS 25 -8.079 -6.216 11.384 851 2HZ LYS 25 HZ2 LYS 25 -9.592 -5.489 11.196 852 3HZ LYS 25 HZ3 LYS 25 -9.353 -7.093 10.681 853 H GLU 26 HN GLU 26 -6.529 -9.522 8.919 854 HA GLU 26 HA GLU 26 -9.126 -10.767 8.575 855 1HB GLU 26 HB2 GLU 26 -7.444 -9.186 6.626 856 2HB GLU 26 HB1 GLU 26 -9.104 -9.699 6.366 857 1HG GLU 26 HG2 GLU 26 -8.121 -7.743 8.428 858 2HG GLU 26 HG1 GLU 26 -9.064 -7.384 6.981 859 H GLU 27 HN GLU 27 -5.862 -11.570 8.044 860 HA GLU 27 HA GLU 27 -4.758 -13.184 6.875 861 1HB GLU 27 HB2 GLU 27 -7.490 -14.484 6.716 862 2HB GLU 27 HB1 GLU 27 -5.962 -15.276 6.360 863 1HG GLU 27 HG2 GLU 27 -5.268 -15.007 8.674 864 2HG GLU 27 HG1 GLU 27 -6.776 -14.166 9.037 865 H VAL 28 HN VAL 28 -5.426 -10.961 5.481 866 HA VAL 28 HA VAL 28 -7.043 -11.241 3.232 867 HB VAL 28 HB VAL 28 -5.812 -9.299 2.295 868 1HG1 VAL 28 HG11 VAL 28 -6.573 -9.061 5.202 869 2HG1 VAL 28 HG12 VAL 28 -7.673 -8.965 3.827 870 3HG1 VAL 28 HG13 VAL 28 -6.441 -7.723 4.061 871 1HG2 VAL 28 HG21 VAL 28 -3.572 -9.839 3.119 872 2HG2 VAL 28 HG22 VAL 28 -4.111 -9.556 4.775 873 3HG2 VAL 28 HG23 VAL 28 -4.066 -8.222 3.622 874 H THR 29 HN THR 29 -6.720 -11.732 1.137 875 HA THR 29 HA THR 29 -4.469 -13.367 0.407 876 HB THR 29 HB THR 29 -6.137 -12.459 -1.801 877 HG1 THR 29 HG1 THR 29 -7.498 -13.739 0.355 878 1HG2 THR 29 HG21 THR 29 -4.856 -14.538 -1.838 879 2HG2 THR 29 HG22 THR 29 -6.577 -14.877 -2.017 880 3HG2 THR 29 HG23 THR 29 -5.782 -15.148 -0.467 881 HA PRO 30 HA PRO 30 -1.640 -10.299 -1.105 882 1HB PRO 30 HB2 PRO 30 -1.720 -11.855 -3.660 883 2HB PRO 30 HB1 PRO 30 -0.322 -11.254 -2.757 884 1HG PRO 30 HG2 PRO 30 -1.014 -13.813 -2.615 885 2HG PRO 30 HG1 PRO 30 -0.459 -12.946 -1.172 886 1HD PRO 30 HD2 PRO 30 -3.205 -13.802 -1.924 887 2HD PRO 30 HD1 PRO 30 -2.476 -13.636 -0.316 888 H ASP 31 HN ASP 31 -3.950 -11.339 -3.626 889 HA ASP 31 HA ASP 31 -3.945 -8.969 -5.120 890 1HB ASP 31 HB2 ASP 31 -6.289 -10.856 -4.788 891 2HB ASP 31 HB1 ASP 31 -5.968 -9.791 -6.154 892 H LEU 32 HN LEU 32 -6.024 -10.024 -2.468 893 HA LEU 32 HA LEU 32 -7.759 -7.796 -2.459 894 1HB LEU 32 HB2 LEU 32 -8.350 -9.887 -1.369 895 2HB LEU 32 HB1 LEU 32 -7.000 -9.728 -0.262 896 HG LEU 32 HG LEU 32 -8.085 -7.703 0.701 897 1HD1 LEU 32 HD11 LEU 32 -10.420 -7.258 0.198 898 2HD1 LEU 32 HD12 LEU 32 -10.410 -8.521 -1.033 899 3HD1 LEU 32 HD13 LEU 32 -9.424 -7.074 -1.246 900 1HD2 LEU 32 HD21 LEU 32 -9.758 -10.211 0.729 901 2HD2 LEU 32 HD22 LEU 32 -9.789 -8.928 1.939 902 3HD2 LEU 32 HD23 LEU 32 -8.337 -9.905 1.727 903 H ALA 33 HN ALA 33 -4.814 -8.550 -0.647 904 HA ALA 33 HA ALA 33 -4.732 -6.309 1.005 905 1HB ALA 33 HB1 ALA 33 -2.338 -6.740 1.203 906 2HB ALA 33 HB2 ALA 33 -2.409 -7.812 -0.197 907 3HB ALA 33 HB3 ALA 33 -3.264 -8.238 1.287 908 H LEU 34 HN LEU 34 -3.424 -6.773 -2.254 909 HA LEU 34 HA LEU 34 -2.180 -4.273 -2.506 910 1HB LEU 34 HB2 LEU 34 -3.403 -5.979 -4.679 911 2HB LEU 34 HB1 LEU 34 -2.273 -4.662 -4.931 912 HG LEU 34 HG LEU 34 -1.684 -7.261 -3.509 913 1HD1 LEU 34 HD11 LEU 34 -0.188 -7.667 -5.413 914 2HD1 LEU 34 HD12 LEU 34 -0.768 -6.185 -6.174 915 3HD1 LEU 34 HD13 LEU 34 -1.873 -7.535 -5.910 916 1HD2 LEU 34 HD21 LEU 34 0.140 -4.938 -4.118 917 2HD2 LEU 34 HD22 LEU 34 0.623 -6.479 -3.406 918 3HD2 LEU 34 HD23 LEU 34 -0.452 -5.394 -2.521 919 H MET 35 HN MET 35 -5.474 -5.315 -3.288 920 HA MET 35 HA MET 35 -6.300 -2.911 -4.517 921 1HB MET 35 HB2 MET 35 -7.504 -5.031 -4.797 922 2HB MET 35 HB1 MET 35 -7.962 -5.002 -3.099 923 1HG MET 35 HG2 MET 35 -9.308 -3.048 -3.439 924 2HG MET 35 HG1 MET 35 -8.751 -2.901 -5.104 925 1HE MET 35 HE1 MET 35 -10.824 -5.072 -2.566 926 2HE MET 35 HE2 MET 35 -9.682 -6.239 -3.233 927 3HE MET 35 HE3 MET 35 -11.401 -6.374 -3.606 928 H CYS 36 HN CYS 36 -6.519 -4.032 -1.154 929 HA CYS 36 HA CYS 36 -7.955 -1.718 -0.296 930 1HB CYS 36 HB2 CYS 36 -6.444 -3.808 1.283 931 2HB CYS 36 HB1 CYS 36 -7.476 -2.570 1.993 932 HG CYS 36 HG CYS 36 -9.823 -3.604 1.322 933 H LEU 37 HN LEU 37 -4.532 -2.702 -0.119 934 HA LEU 37 HA LEU 37 -3.693 -0.452 1.382 935 1HB LEU 37 HB2 LEU 37 -2.165 -2.321 -0.423 936 2HB LEU 37 HB1 LEU 37 -1.404 -1.071 0.540 937 HG LEU 37 HG LEU 37 -3.018 -3.358 1.673 938 1HD1 LEU 37 HD11 LEU 37 -0.957 -4.152 0.644 939 2HD1 LEU 37 HD12 LEU 37 -0.866 -4.258 2.402 940 3HD1 LEU 37 HD13 LEU 37 -0.031 -2.957 1.553 941 1HD2 LEU 37 HD21 LEU 37 -1.283 -1.286 3.011 942 2HD2 LEU 37 HD22 LEU 37 -2.089 -2.638 3.811 943 3HD2 LEU 37 HD23 LEU 37 -3.045 -1.356 3.065 944 H GLY 38 HN GLY 38 -3.654 -1.132 -2.113 945 1HA GLY 38 HA2 GLY 38 -2.407 1.284 -2.880 946 2HA GLY 38 HA1 GLY 38 -3.389 0.262 -3.921 947 H ASN 39 HN ASN 39 -5.734 0.450 -2.261 948 HA ASN 39 HA ASN 39 -6.926 2.768 -3.357 949 1HB ASN 39 HB2 ASN 39 -7.940 0.488 -2.560 950 2HB ASN 39 HB1 ASN 39 -8.067 1.302 -1.009 951 1HD2 ASN 39 HD21 ASN 39 -10.047 0.304 -2.992 952 2HD2 ASN 39 HD22 ASN 39 -11.107 1.643 -3.265 953 H ALA 40 HN ALA 40 -5.568 1.975 -0.206 954 HA ALA 40 HA ALA 40 -6.340 4.405 1.071 955 1HB ALA 40 HB1 ALA 40 -4.748 3.774 2.807 956 2HB ALA 40 HB2 ALA 40 -4.087 2.519 1.761 957 3HB ALA 40 HB3 ALA 40 -5.746 2.396 2.344 958 H VAL 41 HN VAL 41 -3.684 3.403 -0.955 959 HA VAL 41 HA VAL 41 -1.941 5.583 -0.421 960 HB VAL 41 HB VAL 41 -2.137 3.782 -2.851 961 1HG1 VAL 41 HG11 VAL 41 0.114 5.628 -2.057 962 2HG1 VAL 41 HG12 VAL 41 -1.016 5.906 -3.383 963 3HG1 VAL 41 HG13 VAL 41 0.093 4.535 -3.440 964 1HG2 VAL 41 HG21 VAL 41 -0.330 3.698 -0.439 965 2HG2 VAL 41 HG22 VAL 41 -0.165 2.672 -1.863 966 3HG2 VAL 41 HG23 VAL 41 -1.602 2.546 -0.848 967 H THR 42 HN THR 42 -4.342 4.912 -2.945 968 HA THR 42 HA THR 42 -3.872 7.364 -4.317 969 HB THR 42 HB THR 42 -4.770 5.344 -5.444 970 HG1 THR 42 HG1 THR 42 -6.169 7.810 -5.528 971 1HG2 THR 42 HG21 THR 42 -7.324 6.020 -3.980 972 2HG2 THR 42 HG22 THR 42 -6.323 4.592 -3.710 973 3HG2 THR 42 HG23 THR 42 -7.149 4.812 -5.252 974 H ASN 43 HN ASN 43 -5.758 6.483 -1.588 975 HA ASN 43 HA ASN 43 -7.651 8.607 -1.682 976 1HB ASN 43 HB2 ASN 43 -7.838 6.530 -0.255 977 2HB ASN 43 HB1 ASN 43 -6.582 7.198 0.779 978 1HD2 ASN 43 HD21 ASN 43 -9.350 6.490 1.377 979 2HD2 ASN 43 HD22 ASN 43 -10.080 7.923 2.012 980 H ILE 44 HN ILE 44 -4.476 8.195 -0.183 981 HA ILE 44 HA ILE 44 -4.399 10.764 1.035 982 HB ILE 44 HB ILE 44 -2.094 8.948 0.297 983 1HG1 ILE 44 HG12 ILE 44 -3.712 7.811 1.749 984 2HG1 ILE 44 HG11 ILE 44 -2.225 8.154 2.626 985 1HG2 ILE 44 HG21 ILE 44 -2.243 11.239 2.251 986 2HG2 ILE 44 HG22 ILE 44 -1.331 11.197 0.742 987 3HG2 ILE 44 HG23 ILE 44 -0.875 10.139 2.079 988 1HD1 ILE 44 HD11 ILE 44 -3.282 10.041 3.720 989 2HD1 ILE 44 HD12 ILE 44 -4.214 8.566 3.977 990 3HD1 ILE 44 HD13 ILE 44 -4.762 9.763 2.803 991 H ILE 45 HN ILE 45 -3.174 9.444 -2.009 992 HA ILE 45 HA ILE 45 -1.765 11.750 -2.832 993 HB ILE 45 HB ILE 45 -2.928 9.507 -4.495 994 1HG1 ILE 45 HG12 ILE 45 -0.145 9.955 -3.397 995 2HG1 ILE 45 HG11 ILE 45 -1.301 8.766 -2.812 996 1HG2 ILE 45 HG21 ILE 45 -2.498 11.440 -5.897 997 2HG2 ILE 45 HG22 ILE 45 -1.301 10.183 -6.210 998 3HG2 ILE 45 HG23 ILE 45 -0.871 11.586 -5.233 999 1HD1 ILE 45 HD11 ILE 45 -1.190 7.598 -4.940 1000 2HD1 ILE 45 HD12 ILE 45 0.412 7.758 -4.219 1001 3HD1 ILE 45 HD13 ILE 45 -0.064 8.806 -5.557 1002 H ALA 46 HN ALA 46 -5.133 10.914 -2.952 1003 HA ALA 46 HA ALA 46 -5.882 12.740 -5.020 1004 1HB ALA 46 HB1 ALA 46 -7.568 11.495 -2.850 1005 2HB ALA 46 HB2 ALA 46 -7.260 10.806 -4.445 1006 3HB ALA 46 HB3 ALA 46 -8.169 12.309 -4.295 1007 H GLN 47 HN GLN 47 -4.998 13.129 -1.767 1008 HA GLN 47 HA GLN 47 -6.681 15.432 -1.277 1009 1HB GLN 47 HB2 GLN 47 -4.478 14.247 0.421 1010 2HB GLN 47 HB1 GLN 47 -5.666 15.439 0.939 1011 1HG GLN 47 HG2 GLN 47 -7.447 13.869 0.706 1012 2HG GLN 47 HG1 GLN 47 -6.374 12.686 -0.036 1013 1HE2 GLN 47 HE21 GLN 47 -6.820 11.133 1.475 1014 2HE2 GLN 47 HE22 GLN 47 -6.242 11.219 3.102 1015 H VAL 48 HN VAL 48 -3.471 14.787 -2.371 1016 HA VAL 48 HA VAL 48 -2.644 17.565 -1.984 1017 HB VAL 48 HB VAL 48 -0.428 16.831 -2.775 1018 1HG1 VAL 48 HG11 VAL 48 0.138 15.398 -0.871 1019 2HG1 VAL 48 HG12 VAL 48 -1.576 15.079 -0.604 1020 3HG1 VAL 48 HG13 VAL 48 -0.941 16.712 -0.400 1021 1HG2 VAL 48 HG21 VAL 48 -1.117 15.076 -4.322 1022 2HG2 VAL 48 HG22 VAL 48 -1.675 14.087 -2.973 1023 3HG2 VAL 48 HG23 VAL 48 0.041 14.454 -3.146 1024 HA PRO 49 HA PRO 49 -3.372 18.787 -6.185 1025 1HB PRO 49 HB2 PRO 49 -1.122 20.193 -6.823 1026 2HB PRO 49 HB1 PRO 49 -2.394 20.815 -5.766 1027 1HG PRO 49 HG2 PRO 49 0.228 19.565 -5.044 1028 2HG PRO 49 HG1 PRO 49 -0.565 20.988 -4.341 1029 1HD PRO 49 HD2 PRO 49 -0.638 18.576 -3.142 1030 2HD PRO 49 HD1 PRO 49 -1.996 19.715 -3.050 1031 H GLU 50 HN GLU 50 -2.902 18.346 -8.352 1032 HA GLU 50 HA GLU 50 -1.815 15.856 -8.915 1033 1HB GLU 50 HB2 GLU 50 -2.188 18.151 -10.840 1034 2HB GLU 50 HB1 GLU 50 -1.964 16.465 -11.287 1035 1HG GLU 50 HG2 GLU 50 -4.230 16.697 -11.461 1036 2HG GLU 50 HG1 GLU 50 -4.070 16.080 -9.818 1037 H SER 51 HN SER 51 -0.261 18.978 -8.885 1038 HA SER 51 HA SER 51 2.020 18.395 -10.390 1039 1HB SER 51 HB2 SER 51 1.356 20.666 -9.664 1040 2HB SER 51 HB1 SER 51 1.800 20.253 -8.010 1041 HG SER 51 HG SER 51 3.936 19.687 -9.155 1042 H LYS 52 HN LYS 52 1.102 17.213 -7.305 1043 HA LYS 52 HA LYS 52 3.843 16.216 -6.905 1044 1HB LYS 52 HB2 LYS 52 1.640 16.462 -4.849 1045 2HB LYS 52 HB1 LYS 52 3.263 15.855 -4.551 1046 1HG LYS 52 HG2 LYS 52 4.090 18.125 -5.352 1047 2HG LYS 52 HG1 LYS 52 2.415 18.659 -5.200 1048 1HD LYS 52 HD2 LYS 52 3.567 19.225 -3.177 1049 2HD LYS 52 HD1 LYS 52 2.465 17.894 -2.821 1050 1HE LYS 52 HE2 LYS 52 4.641 17.551 -1.760 1051 2HE LYS 52 HE1 LYS 52 4.316 16.309 -2.970 1052 1HZ LYS 52 HZ1 LYS 52 6.041 18.704 -3.355 1053 2HZ LYS 52 HZ2 LYS 52 5.727 17.518 -4.526 1054 3HZ LYS 52 HZ3 LYS 52 6.588 17.115 -3.124 1055 H ARG 53 HN ARG 53 0.609 15.337 -7.592 1056 HA ARG 53 HA ARG 53 0.463 12.765 -6.500 1057 1HB ARG 53 HB2 ARG 53 -0.856 13.862 -8.986 1058 2HB ARG 53 HB1 ARG 53 -1.293 12.346 -8.209 1059 1HG ARG 53 HG2 ARG 53 -1.896 13.580 -6.176 1060 2HG ARG 53 HG1 ARG 53 -1.498 15.093 -6.995 1061 1HD ARG 53 HD2 ARG 53 -3.214 14.562 -8.705 1062 2HD ARG 53 HD1 ARG 53 -3.657 13.132 -7.771 1063 HE ARG 53 HE ARG 53 -3.807 15.231 -6.005 1064 1HH1 ARG 53 HH11 ARG 53 -5.351 14.399 -9.048 1065 2HH1 ARG 53 HH12 ARG 53 -6.791 15.301 -8.693 1066 1HH2 ARG 53 HH21 ARG 53 -5.683 16.405 -5.552 1067 2HH2 ARG 53 HH22 ARG 53 -6.989 16.440 -6.693 1068 H VAL 54 HN VAL 54 1.209 13.657 -9.875 1069 HA VAL 54 HA VAL 54 1.716 11.019 -10.716 1070 HB VAL 54 HB VAL 54 2.759 13.569 -11.958 1071 1HG1 VAL 54 HG11 VAL 54 3.866 11.555 -12.802 1072 2HG1 VAL 54 HG12 VAL 54 2.841 12.289 -14.034 1073 3HG1 VAL 54 HG13 VAL 54 2.294 10.847 -13.177 1074 1HG2 VAL 54 HG21 VAL 54 0.352 13.673 -11.682 1075 2HG2 VAL 54 HG22 VAL 54 0.175 12.089 -12.440 1076 3HG2 VAL 54 HG23 VAL 54 0.759 13.461 -13.384 1077 H ALA 55 HN ALA 55 3.821 13.527 -9.446 1078 HA ALA 55 HA ALA 55 6.289 12.301 -10.049 1079 1HB ALA 55 HB1 ALA 55 7.236 13.809 -8.369 1080 2HB ALA 55 HB2 ALA 55 5.611 14.205 -7.809 1081 3HB ALA 55 HB3 ALA 55 6.116 14.656 -9.438 1082 H VAL 56 HN VAL 56 4.384 12.333 -7.035 1083 HA VAL 56 HA VAL 56 6.170 10.697 -5.597 1084 HB VAL 56 HB VAL 56 3.234 11.221 -5.111 1085 1HG1 VAL 56 HG11 VAL 56 3.666 10.465 -2.810 1086 2HG1 VAL 56 HG12 VAL 56 5.302 10.006 -3.278 1087 3HG1 VAL 56 HG13 VAL 56 3.919 9.172 -3.984 1088 1HG2 VAL 56 HG21 VAL 56 4.603 13.232 -5.046 1089 2HG2 VAL 56 HG22 VAL 56 5.719 12.455 -3.923 1090 3HG2 VAL 56 HG23 VAL 56 4.062 12.802 -3.423 1091 H VAL 57 HN VAL 57 3.171 9.888 -7.378 1092 HA VAL 57 HA VAL 57 3.110 7.213 -6.488 1093 HB VAL 57 HB VAL 57 1.117 8.300 -7.428 1094 1HG1 VAL 57 HG11 VAL 57 2.066 9.553 -9.253 1095 2HG1 VAL 57 HG12 VAL 57 0.852 8.440 -9.890 1096 3HG1 VAL 57 HG13 VAL 57 2.568 8.069 -10.060 1097 1HG2 VAL 57 HG21 VAL 57 0.291 6.394 -8.716 1098 2HG2 VAL 57 HG22 VAL 57 1.216 5.872 -7.308 1099 3HG2 VAL 57 HG23 VAL 57 1.944 5.809 -8.913 1100 H ASP 58 HN ASP 58 4.710 8.696 -9.278 1101 HA ASP 58 HA ASP 58 5.357 6.212 -10.514 1102 1HB ASP 58 HB2 ASP 58 5.367 8.371 -11.733 1103 2HB ASP 58 HB1 ASP 58 6.789 8.845 -10.812 1104 H ASN 59 HN ASN 59 7.045 8.337 -8.244 1105 HA ASN 59 HA ASN 59 9.420 6.763 -8.181 1106 1HB ASN 59 HB2 ASN 59 8.294 8.865 -6.348 1107 2HB ASN 59 HB1 ASN 59 9.744 7.965 -5.918 1108 1HD2 ASN 59 HD21 ASN 59 8.368 10.353 -7.998 1109 2HD2 ASN 59 HD22 ASN 59 9.860 10.913 -8.681 1110 H PHE 60 HN PHE 60 6.483 6.873 -6.239 1111 HA PHE 60 HA PHE 60 7.106 4.985 -4.284 1112 1HB PHE 60 HB2 PHE 60 5.050 6.435 -4.392 1113 2HB PHE 60 HB1 PHE 60 4.424 5.356 -5.632 1114 HD1 PHE 60 HD2 PHE 60 5.872 5.095 -2.194 1115 HD2 PHE 60 HD1 PHE 60 2.908 3.800 -4.963 1116 HE1 PHE 60 HE2 PHE 60 4.875 3.667 -0.455 1117 HE2 PHE 60 HE1 PHE 60 1.906 2.371 -3.230 1118 HZ PHE 60 HZ PHE 60 2.891 2.303 -0.976 1119 H THR 61 HN THR 61 5.475 4.511 -7.399 1120 HA THR 61 HA THR 61 5.306 1.710 -7.222 1121 HB THR 61 HB THR 61 4.934 1.822 -9.717 1122 HG1 THR 61 HG1 THR 61 4.948 4.640 -9.336 1123 1HG2 THR 61 HG21 THR 61 3.074 1.913 -8.169 1124 2HG2 THR 61 HG22 THR 61 2.784 3.025 -9.509 1125 3HG2 THR 61 HG23 THR 61 3.310 3.648 -7.944 1126 H LYS 62 HN LYS 62 7.673 3.827 -8.836 1127 HA LYS 62 HA LYS 62 9.237 1.833 -10.015 1128 1HB LYS 62 HB2 LYS 62 9.329 4.483 -10.086 1129 2HB LYS 62 HB1 LYS 62 10.570 4.243 -8.863 1130 1HG LYS 62 HG2 LYS 62 11.819 2.819 -10.402 1131 2HG LYS 62 HG1 LYS 62 10.571 3.054 -11.627 1132 1HD LYS 62 HD2 LYS 62 12.405 5.131 -10.447 1133 2HD LYS 62 HD1 LYS 62 12.373 4.551 -12.112 1134 1HE LYS 62 HE2 LYS 62 10.239 6.156 -10.708 1135 2HE LYS 62 HE1 LYS 62 11.325 6.727 -11.973 1136 1HZ LYS 62 HZ1 LYS 62 10.288 5.129 -13.499 1137 2HZ LYS 62 HZ2 LYS 62 9.162 6.238 -12.875 1138 3HZ LYS 62 HZ3 LYS 62 9.213 4.656 -12.275 1139 H ALA 63 HN ALA 63 9.680 3.422 -6.852 1140 HA ALA 63 HA ALA 63 11.945 1.923 -6.093 1141 1HB ALA 63 HB1 ALA 63 9.929 3.292 -4.316 1142 2HB ALA 63 HB2 ALA 63 11.337 4.055 -5.053 1143 3HB ALA 63 HB3 ALA 63 11.553 2.781 -3.852 1144 H LEU 64 HN LEU 64 8.494 1.435 -5.546 1145 HA LEU 64 HA LEU 64 8.486 -0.656 -3.759 1146 1HB LEU 64 HB2 LEU 64 6.692 0.389 -5.789 1147 2HB LEU 64 HB1 LEU 64 6.540 -1.348 -5.623 1148 HG LEU 64 HG LEU 64 6.339 0.545 -3.285 1149 1HD1 LEU 64 HD11 LEU 64 4.154 -0.620 -5.003 1150 2HD1 LEU 64 HD12 LEU 64 4.582 1.086 -4.853 1151 3HD1 LEU 64 HD13 LEU 64 3.912 0.222 -3.472 1152 1HD2 LEU 64 HD21 LEU 64 5.200 -1.386 -2.247 1153 2HD2 LEU 64 HD22 LEU 64 6.878 -1.731 -2.666 1154 3HD2 LEU 64 HD23 LEU 64 5.572 -2.347 -3.679 1155 H LYS 65 HN LYS 65 8.520 -0.974 -7.314 1156 HA LYS 65 HA LYS 65 8.701 -3.792 -7.237 1157 1HB LYS 65 HB2 LYS 65 9.343 -1.885 -9.490 1158 2HB LYS 65 HB1 LYS 65 9.144 -3.626 -9.659 1159 1HG LYS 65 HG2 LYS 65 6.829 -3.357 -8.741 1160 2HG LYS 65 HG1 LYS 65 7.062 -1.614 -8.854 1161 1HD LYS 65 HD2 LYS 65 7.234 -3.546 -11.164 1162 2HD LYS 65 HD1 LYS 65 5.836 -2.545 -10.774 1163 1HE LYS 65 HE2 LYS 65 7.295 -0.540 -11.025 1164 2HE LYS 65 HE1 LYS 65 8.575 -1.606 -11.602 1165 1HZ LYS 65 HZ1 LYS 65 7.446 -0.716 -13.481 1166 2HZ LYS 65 HZ2 LYS 65 5.930 -1.142 -12.861 1167 3HZ LYS 65 HZ3 LYS 65 7.001 -2.353 -13.360 1168 H GLN 66 HN GLN 66 11.143 -1.263 -7.451 1169 HA GLN 66 HA GLN 66 13.302 -3.010 -8.055 1170 1HB GLN 66 HB2 GLN 66 13.273 -0.251 -6.829 1171 2HB GLN 66 HB1 GLN 66 14.738 -1.103 -7.295 1172 1HG GLN 66 HG2 GLN 66 12.507 -0.389 -9.187 1173 2HG GLN 66 HG1 GLN 66 13.970 0.567 -8.958 1174 1HE2 GLN 66 HE21 GLN 66 14.589 0.322 -11.102 1175 2HE2 GLN 66 HE22 GLN 66 15.195 -1.177 -11.721 1176 H SER 67 HN SER 67 11.941 -1.789 -5.031 1177 HA SER 67 HA SER 67 13.989 -2.817 -3.356 1178 1HB SER 67 HB2 SER 67 11.112 -2.182 -2.649 1179 2HB SER 67 HB1 SER 67 12.454 -2.356 -1.514 1180 HG SER 67 HG SER 67 12.001 -0.334 -3.436 1181 H VAL 68 HN VAL 68 10.959 -4.120 -4.581 1182 HA VAL 68 HA VAL 68 10.932 -6.479 -3.022 1183 HB VAL 68 HB VAL 68 9.731 -5.929 -5.743 1184 1HG1 VAL 68 HG11 VAL 68 9.255 -8.240 -3.865 1185 2HG1 VAL 68 HG12 VAL 68 10.015 -8.320 -5.455 1186 3HG1 VAL 68 HG13 VAL 68 8.310 -7.891 -5.311 1187 1HG2 VAL 68 HG21 VAL 68 8.855 -4.518 -3.959 1188 2HG2 VAL 68 HG22 VAL 68 8.512 -5.946 -2.982 1189 3HG2 VAL 68 HG23 VAL 68 7.639 -5.680 -4.493 1190 H LEU 69 HN LEU 69 12.319 -5.696 -6.178 1191 HA LEU 69 HA LEU 69 13.252 -8.308 -6.758 1192 1HB LEU 69 HB2 LEU 69 14.190 -5.620 -7.762 1193 2HB LEU 69 HB1 LEU 69 14.711 -7.160 -8.418 1194 HG LEU 69 HG LEU 69 11.868 -6.138 -8.439 1195 1HD1 LEU 69 HD11 LEU 69 13.321 -4.866 -9.930 1196 2HD1 LEU 69 HD12 LEU 69 12.204 -5.882 -10.842 1197 3HD1 LEU 69 HD13 LEU 69 13.891 -6.366 -10.663 1198 1HD2 LEU 69 HD21 LEU 69 13.105 -8.588 -9.694 1199 2HD2 LEU 69 HD22 LEU 69 11.441 -8.047 -9.911 1200 3HD2 LEU 69 HD23 LEU 69 11.996 -8.574 -8.323 1201 H GLU 70 HN GLU 70 14.630 -5.588 -5.010 1202 HA GLU 70 HA GLU 70 17.225 -6.809 -4.782 1203 1HB GLU 70 HB2 GLU 70 16.960 -4.364 -4.781 1204 2HB GLU 70 HB1 GLU 70 16.043 -4.463 -3.284 1205 1HG GLU 70 HG2 GLU 70 17.940 -5.168 -2.060 1206 2HG GLU 70 HG1 GLU 70 18.873 -5.434 -3.532 1207 H HIS 71 HN HIS 71 14.262 -7.238 -3.211 1208 HA HIS 71 HA HIS 71 15.324 -8.030 -0.649 1209 1HB HIS 71 HB2 HIS 71 12.970 -7.110 -1.112 1210 2HB HIS 71 HB1 HIS 71 12.583 -8.717 -1.714 1211 HD1 HIS 71 HD1 HIS 71 12.177 -10.560 0.017 1212 HD2 HIS 71 HD2 HIS 71 13.456 -6.969 1.690 1213 HE1 HIS 71 HE1 HIS 71 11.825 -10.800 2.494 1214 HE2 HIS 71 HE2 HIS 71 12.646 -8.640 3.501 1215 H HIS 72 HN HIS 72 15.896 -9.328 -3.444 1216 HA HIS 72 HA HIS 72 15.109 -12.037 -3.253 1217 1HB HIS 72 HB2 HIS 72 17.137 -10.533 -4.842 1218 2HB HIS 72 HB1 HIS 72 17.272 -12.286 -4.763 1219 HD1 HIS 72 HD1 HIS 72 16.616 -10.753 -7.404 1220 HD2 HIS 72 HD2 HIS 72 13.821 -12.527 -4.888 1221 HE1 HIS 72 HE1 HIS 72 14.619 -11.244 -8.847 1222 HE2 HIS 72 HE2 HIS 72 13.085 -12.591 -7.364 1223 H HIS 73 HN HIS 73 17.780 -10.236 -1.886 1224 HA HIS 73 HA HIS 73 18.517 -12.516 -0.265 1225 1HB HIS 73 HB2 HIS 73 19.776 -12.773 -2.444 1226 2HB HIS 73 HB1 HIS 73 20.609 -11.272 -2.058 1227 HD1 HIS 73 HD1 HIS 73 22.762 -11.564 -0.860 1228 HD2 HIS 73 HD2 HIS 73 20.208 -14.797 -0.303 1229 HE1 HIS 73 HE1 HIS 73 24.077 -13.242 0.462 1230 HE2 HIS 73 HE2 HIS 73 22.600 -15.283 0.552 1231 H HIS 74 HN HIS 74 19.119 -11.828 1.701 1232 HA HIS 74 HA HIS 74 19.530 -9.030 2.223 1233 1HB HIS 74 HB2 HIS 74 19.561 -11.522 3.887 1234 2HB HIS 74 HB1 HIS 74 20.293 -10.057 4.530 1235 HD1 HIS 74 HD1 HIS 74 17.111 -11.769 4.230 1236 HD2 HIS 74 HD2 HIS 74 18.381 -7.829 4.647 1237 HE1 HIS 74 HE1 HIS 74 15.097 -10.485 5.015 1238 HE2 HIS 74 HE2 HIS 74 15.938 -8.147 5.449 1239 H HIS 75 HN HIS 75 21.390 -7.949 2.420 1240 HA HIS 75 HA HIS 75 23.592 -7.425 2.300 1241 1HB HIS 75 HB2 HIS 75 24.036 -9.087 4.038 1242 2HB HIS 75 HB1 HIS 75 24.064 -10.371 2.835 1243 HD1 HIS 75 HD1 HIS 75 26.220 -10.667 1.465 1244 HD2 HIS 75 HD2 HIS 75 26.324 -7.438 4.084 1245 HE1 HIS 75 HE1 HIS 75 28.622 -9.935 1.545 1246 HE2 HIS 75 HE2 HIS 75 28.689 -8.110 3.283 1247 H HIS 76 HN HIS 76 24.364 -6.811 0.422 1248 HA HIS 76 HA HIS 76 24.023 -8.397 -1.947 1249 1HB HIS 76 HB2 HIS 76 25.160 -5.703 -1.348 1250 2HB HIS 76 HB1 HIS 76 25.617 -6.485 -2.857 1251 HD1 HIS 76 HD1 HIS 76 23.686 -6.947 -4.576 1252 HD2 HIS 76 HD2 HIS 76 22.603 -4.645 -1.286 1253 HE1 HIS 76 HE1 HIS 76 21.510 -5.849 -5.200 1254 HE2 HIS 76 HE2 HIS 76 20.987 -4.295 -3.283 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -24.477 -15.452 -13.935 2 2H MET 1 HT2 MET 1 -24.120 -14.857 -15.484 3 3H MET 1 HT3 MET 1 -25.418 -14.210 -14.604 4 HA MET 1 HA MET 1 -23.509 -12.732 -14.588 5 1HB MET 1 HB2 MET 1 -24.194 -14.034 -11.942 6 2HB MET 1 HB1 MET 1 -23.309 -12.523 -12.094 7 1HG MET 1 HG2 MET 1 -26.112 -13.023 -13.064 8 2HG MET 1 HG1 MET 1 -25.665 -12.150 -11.600 9 1HE MET 1 HE1 MET 1 -27.594 -10.982 -13.876 10 2HE MET 1 HE2 MET 1 -27.002 -9.323 -13.990 11 3HE MET 1 HE3 MET 1 -27.176 -10.093 -12.412 12 HA PRO 2 HA PRO 2 -19.496 -14.644 -14.501 13 1HB PRO 2 HB2 PRO 2 -18.430 -12.034 -13.682 14 2HB PRO 2 HB1 PRO 2 -18.155 -12.934 -15.175 15 1HG PRO 2 HG2 PRO 2 -19.623 -10.674 -15.119 16 2HG PRO 2 HG1 PRO 2 -19.984 -12.009 -16.226 17 1HD PRO 2 HD2 PRO 2 -21.309 -11.276 -13.644 18 2HD PRO 2 HD1 PRO 2 -22.038 -11.812 -15.173 19 H ILE 3 HN ILE 3 -18.076 -15.477 -12.988 20 HA ILE 3 HA ILE 3 -18.699 -14.749 -10.210 21 HB ILE 3 HB ILE 3 -17.678 -17.187 -9.843 22 1HG1 ILE 3 HG12 ILE 3 -18.878 -18.659 -11.593 23 2HG1 ILE 3 HG11 ILE 3 -18.869 -17.229 -12.614 24 1HG2 ILE 3 HG21 ILE 3 -20.528 -16.507 -10.528 25 2HG2 ILE 3 HG22 ILE 3 -19.757 -16.403 -8.945 26 3HG2 ILE 3 HG23 ILE 3 -20.012 -17.975 -9.700 27 1HD1 ILE 3 HD11 ILE 3 -16.442 -18.605 -11.492 28 2HD1 ILE 3 HD12 ILE 3 -16.438 -17.177 -12.527 29 3HD1 ILE 3 HD13 ILE 3 -17.033 -18.716 -13.150 30 H VAL 4 HN VAL 4 -17.134 -13.198 -10.008 31 HA VAL 4 HA VAL 4 -14.356 -14.193 -9.975 32 HB VAL 4 HB VAL 4 -13.639 -11.833 -10.148 33 1HG1 VAL 4 HG11 VAL 4 -14.236 -11.498 -12.502 34 2HG1 VAL 4 HG12 VAL 4 -15.499 -12.719 -12.352 35 3HG1 VAL 4 HG13 VAL 4 -13.804 -13.174 -12.169 36 1HG2 VAL 4 HG21 VAL 4 -15.288 -10.114 -10.800 37 2HG2 VAL 4 HG22 VAL 4 -15.550 -10.726 -9.167 38 3HG2 VAL 4 HG23 VAL 4 -16.585 -11.268 -10.488 39 H SER 5 HN SER 5 -16.787 -13.910 -7.985 40 HA SER 5 HA SER 5 -15.809 -12.207 -5.919 41 1HB SER 5 HB2 SER 5 -17.912 -14.372 -5.713 42 2HB SER 5 HB1 SER 5 -17.720 -12.969 -4.662 43 HG SER 5 HG SER 5 -19.289 -12.408 -6.086 44 H LYS 6 HN LYS 6 -13.864 -12.792 -5.100 45 HA LYS 6 HA LYS 6 -13.516 -15.510 -4.081 46 1HB LYS 6 HB2 LYS 6 -11.629 -13.158 -4.269 47 2HB LYS 6 HB1 LYS 6 -11.220 -14.650 -3.434 48 1HG LYS 6 HG2 LYS 6 -11.580 -15.878 -5.560 49 2HG LYS 6 HG1 LYS 6 -11.838 -14.328 -6.364 50 1HD LYS 6 HD2 LYS 6 -9.533 -15.157 -6.652 51 2HD LYS 6 HD1 LYS 6 -9.584 -13.623 -5.781 52 1HE LYS 6 HE2 LYS 6 -9.255 -14.745 -3.678 53 2HE LYS 6 HE1 LYS 6 -9.396 -16.322 -4.447 54 1HZ LYS 6 HZ1 LYS 6 -7.238 -14.373 -5.082 55 2HZ LYS 6 HZ2 LYS 6 -7.343 -15.998 -5.571 56 3HZ LYS 6 HZ3 LYS 6 -7.089 -15.619 -3.942 57 H TYR 7 HN TYR 7 -14.154 -12.265 -3.033 58 HA TYR 7 HA TYR 7 -14.334 -13.201 -0.258 59 1HB TYR 7 HB2 TYR 7 -13.215 -10.473 -0.909 60 2HB TYR 7 HB1 TYR 7 -13.143 -11.354 0.612 61 HD1 TYR 7 HD1 TYR 7 -11.699 -13.473 0.686 62 HD2 TYR 7 HD2 TYR 7 -11.463 -10.587 -2.431 63 HE1 TYR 7 HE1 TYR 7 -9.489 -14.347 0.054 64 HE2 TYR 7 HE2 TYR 7 -9.250 -11.447 -3.072 65 HH TYR 7 HH TYR 7 -7.419 -12.715 -2.138 66 H SER 8 HN SER 8 -15.574 -11.564 1.091 67 HA SER 8 HA SER 8 -17.901 -10.655 -0.366 68 1HB SER 8 HB2 SER 8 -18.150 -11.681 1.867 69 2HB SER 8 HB1 SER 8 -17.175 -10.393 2.571 70 HG SER 8 HG SER 8 -19.423 -9.651 1.077 71 H ASN 9 HN ASN 9 -18.145 -8.657 -1.179 72 HA ASN 9 HA ASN 9 -16.063 -6.777 -1.188 73 1HB ASN 9 HB2 ASN 9 -18.999 -6.353 -1.780 74 2HB ASN 9 HB1 ASN 9 -17.717 -5.215 -2.176 75 1HD2 ASN 9 HD21 ASN 9 -19.602 -6.537 -3.914 76 2HD2 ASN 9 HD22 ASN 9 -18.660 -7.432 -5.065 77 H GLU 10 HN GLU 10 -18.898 -7.099 0.833 78 HA GLU 10 HA GLU 10 -18.817 -4.611 2.121 79 1HB GLU 10 HB2 GLU 10 -19.766 -7.282 3.187 80 2HB GLU 10 HB1 GLU 10 -20.115 -5.725 3.919 81 1HG GLU 10 HG2 GLU 10 -22.034 -6.445 2.695 82 2HG GLU 10 HG1 GLU 10 -21.320 -5.072 1.856 83 H ARG 11 HN ARG 11 -17.145 -7.631 2.715 84 HA ARG 11 HA ARG 11 -15.938 -6.830 5.174 85 1HB ARG 11 HB2 ARG 11 -16.250 -9.182 4.645 86 2HB ARG 11 HB1 ARG 11 -15.241 -9.028 3.217 87 1HG ARG 11 HG2 ARG 11 -13.289 -8.686 4.552 88 2HG ARG 11 HG1 ARG 11 -14.257 -8.591 6.026 89 1HD ARG 11 HD2 ARG 11 -14.934 -10.899 5.772 90 2HD ARG 11 HD1 ARG 11 -14.073 -11.010 4.237 91 HE ARG 11 HE ARG 11 -12.100 -11.251 5.380 92 1HH1 ARG 11 HH11 ARG 11 -14.588 -10.221 7.630 93 2HH1 ARG 11 HH12 ARG 11 -13.619 -10.526 9.037 94 1HH2 ARG 11 HH21 ARG 11 -10.847 -11.690 7.225 95 2HH2 ARG 11 HH22 ARG 11 -11.510 -11.405 8.814 96 H VAL 12 HN VAL 12 -15.007 -6.759 1.780 97 HA VAL 12 HA VAL 12 -12.344 -5.917 2.086 98 HB VAL 12 HB VAL 12 -14.256 -5.221 -0.158 99 1HG1 VAL 12 HG11 VAL 12 -11.242 -5.184 -0.039 100 2HG1 VAL 12 HG12 VAL 12 -12.310 -3.790 -0.198 101 3HG1 VAL 12 HG13 VAL 12 -12.199 -4.968 -1.505 102 1HG2 VAL 12 HG21 VAL 12 -13.295 -7.148 -1.322 103 2HG2 VAL 12 HG22 VAL 12 -14.087 -7.635 0.177 104 3HG2 VAL 12 HG23 VAL 12 -12.328 -7.530 0.102 105 H GLU 13 HN GLU 13 -15.319 -4.037 1.595 106 HA GLU 13 HA GLU 13 -14.258 -1.472 1.785 107 1HB GLU 13 HB2 GLU 13 -16.956 -2.541 2.625 108 2HB GLU 13 HB1 GLU 13 -16.562 -0.830 2.577 109 1HG GLU 13 HG2 GLU 13 -16.434 -2.671 0.202 110 2HG GLU 13 HG1 GLU 13 -17.805 -1.634 0.598 111 H LYS 14 HN LYS 14 -15.169 -3.743 4.311 112 HA LYS 14 HA LYS 14 -14.965 -1.984 6.504 113 1HB LYS 14 HB2 LYS 14 -16.057 -4.133 6.755 114 2HB LYS 14 HB1 LYS 14 -14.570 -4.977 6.343 115 1HG LYS 14 HG2 LYS 14 -13.526 -3.981 8.372 116 2HG LYS 14 HG1 LYS 14 -15.109 -3.339 8.806 117 1HD LYS 14 HD2 LYS 14 -16.018 -5.584 8.918 118 2HD LYS 14 HD1 LYS 14 -14.469 -6.255 8.399 119 1HE LYS 14 HE2 LYS 14 -14.966 -4.693 10.928 120 2HE LYS 14 HE1 LYS 14 -14.757 -6.440 10.816 121 1HZ LYS 14 HZ1 LYS 14 -12.690 -4.459 9.988 122 2HZ LYS 14 HZ2 LYS 14 -12.511 -6.152 10.095 123 3HZ LYS 14 HZ3 LYS 14 -12.731 -5.229 11.498 124 H ILE 15 HN ILE 15 -12.630 -4.268 5.112 125 HA ILE 15 HA ILE 15 -10.563 -3.739 6.940 126 HB ILE 15 HB ILE 15 -10.353 -4.763 4.102 127 1HG1 ILE 15 HG12 ILE 15 -10.468 -6.264 6.727 128 2HG1 ILE 15 HG11 ILE 15 -11.829 -6.073 5.628 129 1HG2 ILE 15 HG21 ILE 15 -8.386 -4.937 6.389 130 2HG2 ILE 15 HG22 ILE 15 -8.206 -3.945 4.942 131 3HG2 ILE 15 HG23 ILE 15 -8.203 -5.705 4.810 132 1HD1 ILE 15 HD11 ILE 15 -9.251 -7.498 5.032 133 2HD1 ILE 15 HD12 ILE 15 -10.592 -7.290 3.906 134 3HD1 ILE 15 HD13 ILE 15 -10.811 -8.246 5.373 135 H ILE 16 HN ILE 16 -11.334 -2.303 3.790 136 HA ILE 16 HA ILE 16 -9.121 -0.594 3.584 137 HB ILE 16 HB ILE 16 -11.957 -0.107 2.645 138 1HG1 ILE 16 HG12 ILE 16 -9.559 -1.195 1.153 139 2HG1 ILE 16 HG11 ILE 16 -10.894 -2.169 1.756 140 1HG2 ILE 16 HG21 ILE 16 -9.383 1.229 1.815 141 2HG2 ILE 16 HG22 ILE 16 -10.696 1.968 2.732 142 3HG2 ILE 16 HG23 ILE 16 -10.956 1.475 1.059 143 1HD1 ILE 16 HD11 ILE 16 -12.429 -0.973 0.276 144 2HD1 ILE 16 HD12 ILE 16 -11.122 -1.751 -0.617 145 3HD1 ILE 16 HD13 ILE 16 -11.081 -0.011 -0.333 146 H GLN 17 HN GLN 17 -12.233 -0.195 5.201 147 HA GLN 17 HA GLN 17 -11.875 2.439 6.128 148 1HB GLN 17 HB2 GLN 17 -14.051 1.279 6.131 149 2HB GLN 17 HB1 GLN 17 -13.463 0.179 7.369 150 1HG GLN 17 HG2 GLN 17 -14.893 1.892 8.319 151 2HG GLN 17 HG1 GLN 17 -13.246 2.026 8.936 152 1HE2 GLN 17 HE21 GLN 17 -12.014 3.800 8.404 153 2HE2 GLN 17 HE22 GLN 17 -12.674 5.207 7.641 154 H ASP 18 HN ASP 18 -11.154 -0.698 7.624 155 HA ASP 18 HA ASP 18 -10.200 0.275 10.072 156 1HB ASP 18 HB2 ASP 18 -9.667 -2.271 8.558 157 2HB ASP 18 HB1 ASP 18 -8.869 -1.938 10.090 158 H LEU 19 HN LEU 19 -8.518 -0.312 7.012 159 HA LEU 19 HA LEU 19 -5.920 0.274 7.985 160 1HB LEU 19 HB2 LEU 19 -7.041 0.441 5.188 161 2HB LEU 19 HB1 LEU 19 -5.339 0.576 5.584 162 HG LEU 19 HG LEU 19 -7.060 -1.861 6.049 163 1HD1 LEU 19 HD11 LEU 19 -5.724 -2.862 4.270 164 2HD1 LEU 19 HD12 LEU 19 -4.891 -1.327 4.026 165 3HD1 LEU 19 HD13 LEU 19 -6.617 -1.458 3.689 166 1HD2 LEU 19 HD21 LEU 19 -5.287 -1.625 7.721 167 2HD2 LEU 19 HD22 LEU 19 -4.095 -1.457 6.432 168 3HD2 LEU 19 HD23 LEU 19 -4.973 -2.975 6.630 169 H LEU 20 HN LEU 20 -8.424 2.258 6.455 170 HA LEU 20 HA LEU 20 -6.954 4.648 6.295 171 1HB LEU 20 HB2 LEU 20 -9.920 4.215 6.655 172 2HB LEU 20 HB1 LEU 20 -9.191 5.771 6.312 173 HG LEU 20 HG LEU 20 -9.088 3.359 4.498 174 1HD1 LEU 20 HD11 LEU 20 -10.671 5.916 4.316 175 2HD1 LEU 20 HD12 LEU 20 -11.318 4.302 4.612 176 3HD1 LEU 20 HD13 LEU 20 -10.572 4.683 3.060 177 1HD2 LEU 20 HD21 LEU 20 -7.107 4.788 4.306 178 2HD2 LEU 20 HD22 LEU 20 -8.147 6.191 4.058 179 3HD2 LEU 20 HD23 LEU 20 -8.123 4.890 2.867 180 H ASP 21 HN ASP 21 -8.892 3.238 8.867 181 HA ASP 21 HA ASP 21 -8.784 5.372 10.681 182 1HB ASP 21 HB2 ASP 21 -9.450 2.513 10.808 183 2HB ASP 21 HB1 ASP 21 -8.848 3.187 12.319 184 H VAL 22 HN VAL 22 -6.496 2.775 10.023 185 HA VAL 22 HA VAL 22 -4.709 3.259 12.138 186 HB VAL 22 HB VAL 22 -4.079 2.336 9.324 187 1HG1 VAL 22 HG11 VAL 22 -2.083 3.151 10.449 188 2HG1 VAL 22 HG12 VAL 22 -2.032 1.396 10.285 189 3HG1 VAL 22 HG13 VAL 22 -2.431 2.123 11.840 190 1HG2 VAL 22 HG21 VAL 22 -5.665 0.866 10.418 191 2HG2 VAL 22 HG22 VAL 22 -4.618 0.758 11.833 192 3HG2 VAL 22 HG23 VAL 22 -4.091 0.079 10.294 193 H LEU 23 HN LEU 23 -4.884 4.595 8.868 194 HA LEU 23 HA LEU 23 -2.605 6.235 9.038 195 1HB LEU 23 HB2 LEU 23 -5.071 6.621 7.339 196 2HB LEU 23 HB1 LEU 23 -3.507 7.365 7.068 197 HG LEU 23 HG LEU 23 -4.067 4.401 6.926 198 1HD1 LEU 23 HD11 LEU 23 -5.121 5.629 5.100 199 2HD1 LEU 23 HD12 LEU 23 -3.764 4.660 4.524 200 3HD1 LEU 23 HD13 LEU 23 -3.580 6.402 4.725 201 1HD2 LEU 23 HD21 LEU 23 -1.584 5.991 6.288 202 2HD2 LEU 23 HD22 LEU 23 -1.806 4.272 5.963 203 3HD2 LEU 23 HD23 LEU 23 -1.792 4.861 7.626 204 H VAL 24 HN VAL 24 -6.031 6.882 9.686 205 HA VAL 24 HA VAL 24 -5.714 9.643 10.269 206 HB VAL 24 HB VAL 24 -7.880 7.737 11.177 207 1HG1 VAL 24 HG11 VAL 24 -7.850 9.726 12.568 208 2HG1 VAL 24 HG12 VAL 24 -9.243 9.765 11.486 209 3HG1 VAL 24 HG13 VAL 24 -7.824 10.753 11.136 210 1HG2 VAL 24 HG21 VAL 24 -7.714 7.857 8.756 211 2HG2 VAL 24 HG22 VAL 24 -7.763 9.617 8.824 212 3HG2 VAL 24 HG23 VAL 24 -9.172 8.678 9.315 213 H LYS 25 HN LYS 25 -5.571 6.730 12.221 214 HA LYS 25 HA LYS 25 -5.589 7.912 14.765 215 1HB LYS 25 HB2 LYS 25 -5.958 5.550 14.496 216 2HB LYS 25 HB1 LYS 25 -4.374 5.333 13.771 217 1HG LYS 25 HG2 LYS 25 -3.288 5.743 15.854 218 2HG LYS 25 HG1 LYS 25 -4.805 6.238 16.608 219 1HD LYS 25 HD2 LYS 25 -4.095 3.931 17.207 220 2HD LYS 25 HD1 LYS 25 -5.682 4.010 16.442 221 1HE LYS 25 HE2 LYS 25 -4.555 2.174 15.463 222 2HE LYS 25 HE1 LYS 25 -4.537 3.466 14.266 223 1HZ LYS 25 HZ1 LYS 25 -2.290 2.670 16.038 224 2HZ LYS 25 HZ2 LYS 25 -2.248 3.988 14.969 225 3HZ LYS 25 HZ3 LYS 25 -2.402 2.404 14.368 226 H GLU 26 HN GLU 26 -3.017 7.492 12.428 227 HA GLU 26 HA GLU 26 -1.044 8.460 14.360 228 1HB GLU 26 HB2 GLU 26 -0.627 7.497 11.525 229 2HB GLU 26 HB1 GLU 26 0.635 7.872 12.690 230 1HG GLU 26 HG2 GLU 26 -1.328 5.602 12.762 231 2HG GLU 26 HG1 GLU 26 0.428 5.518 12.609 232 H GLU 27 HN GLU 27 -3.050 9.604 11.883 233 HA GLU 27 HA GLU 27 -3.202 11.505 10.656 234 1HB GLU 27 HB2 GLU 27 -1.472 12.621 12.869 235 2HB GLU 27 HB1 GLU 27 -2.329 13.583 11.675 236 1HG GLU 27 HG2 GLU 27 -4.453 12.506 12.527 237 2HG GLU 27 HG1 GLU 27 -3.484 11.891 13.867 238 H VAL 28 HN VAL 28 -1.394 9.751 9.695 239 HA VAL 28 HA VAL 28 1.232 10.715 9.379 240 HB VAL 28 HB VAL 28 1.419 9.052 7.536 241 1HG1 VAL 28 HG11 VAL 28 0.136 8.065 10.081 242 2HG1 VAL 28 HG12 VAL 28 1.848 8.407 9.840 243 3HG1 VAL 28 HG13 VAL 28 1.081 7.082 8.963 244 1HG2 VAL 28 HG21 VAL 28 -0.476 7.529 7.140 245 2HG2 VAL 28 HG22 VAL 28 -0.833 9.183 6.640 246 3HG2 VAL 28 HG23 VAL 28 -1.494 8.556 8.149 247 H THR 29 HN THR 29 2.178 11.973 7.920 248 HA THR 29 HA THR 29 0.594 13.577 6.145 249 HB THR 29 HB THR 29 2.940 14.415 5.463 250 HG1 THR 29 HG1 THR 29 4.186 13.730 7.690 251 1HG2 THR 29 HG21 THR 29 2.031 14.657 8.333 252 2HG2 THR 29 HG22 THR 29 1.479 15.648 6.981 253 3HG2 THR 29 HG23 THR 29 3.156 15.744 7.519 254 HA PRO 30 HA PRO 30 0.729 11.527 2.249 255 1HB PRO 30 HB2 PRO 30 2.601 13.650 1.278 256 2HB PRO 30 HB1 PRO 30 1.134 13.015 0.524 257 1HG PRO 30 HG2 PRO 30 1.108 15.359 1.780 258 2HG PRO 30 HG1 PRO 30 -0.265 14.245 1.905 259 1HD PRO 30 HD2 PRO 30 1.822 14.913 3.915 260 2HD PRO 30 HD1 PRO 30 0.133 14.427 4.155 261 H ASP 31 HN ASP 31 3.970 12.956 2.692 262 HA ASP 31 HA ASP 31 5.403 10.980 1.351 263 1HB ASP 31 HB2 ASP 31 6.329 12.721 3.647 264 2HB ASP 31 HB1 ASP 31 7.382 11.856 2.534 265 H LEU 32 HN LEU 32 4.662 11.286 4.798 266 HA LEU 32 HA LEU 32 6.113 9.034 5.667 267 1HB LEU 32 HB2 LEU 32 5.328 10.830 7.163 268 2HB LEU 32 HB1 LEU 32 3.672 10.324 6.895 269 HG LEU 32 HG LEU 32 4.166 8.164 7.976 270 1HD1 LEU 32 HD11 LEU 32 6.543 8.023 7.460 271 2HD1 LEU 32 HD12 LEU 32 6.261 7.871 9.196 272 3HD1 LEU 32 HD13 LEU 32 6.864 9.389 8.526 273 1HD2 LEU 32 HD21 LEU 32 3.240 9.960 9.302 274 2HD2 LEU 32 HD22 LEU 32 4.852 10.618 9.586 275 3HD2 LEU 32 HD23 LEU 32 4.404 9.052 10.266 276 H ALA 33 HN ALA 33 2.729 9.465 4.725 277 HA ALA 33 HA ALA 33 1.786 6.912 5.355 278 1HB ALA 33 HB1 ALA 33 0.309 8.774 4.825 279 2HB ALA 33 HB2 ALA 33 -0.036 7.390 3.788 280 3HB ALA 33 HB3 ALA 33 0.873 8.764 3.155 281 H LEU 34 HN LEU 34 3.143 8.151 2.316 282 HA LEU 34 HA LEU 34 2.784 5.832 0.786 283 1HB LEU 34 HB2 LEU 34 4.954 7.918 0.567 284 2HB LEU 34 HB1 LEU 34 4.553 6.743 -0.669 285 HG LEU 34 HG LEU 34 2.732 8.938 0.322 286 1HD1 LEU 34 HD11 LEU 34 4.223 8.625 -2.276 287 2HD1 LEU 34 HD12 LEU 34 4.580 9.793 -1.002 288 3HD1 LEU 34 HD13 LEU 34 3.064 9.900 -1.900 289 1HD2 LEU 34 HD21 LEU 34 1.281 8.262 -1.543 290 2HD2 LEU 34 HD22 LEU 34 1.460 6.984 -0.342 291 3HD2 LEU 34 HD23 LEU 34 2.348 6.896 -1.864 292 H MET 35 HN MET 35 5.514 6.866 2.787 293 HA MET 35 HA MET 35 7.216 4.695 2.171 294 1HB MET 35 HB2 MET 35 8.023 6.781 3.159 295 2HB MET 35 HB1 MET 35 7.126 6.445 4.633 296 1HG MET 35 HG2 MET 35 8.516 4.533 5.100 297 2HG MET 35 HG1 MET 35 9.346 4.720 3.556 298 1HE MET 35 HE1 MET 35 8.244 7.652 5.927 299 2HE MET 35 HE2 MET 35 9.665 7.830 6.957 300 3HE MET 35 HE3 MET 35 8.672 6.377 7.071 301 H CYS 36 HN CYS 36 4.596 5.049 4.449 302 HA CYS 36 HA CYS 36 5.280 2.632 5.863 303 1HB CYS 36 HB2 CYS 36 2.756 4.292 5.976 304 2HB CYS 36 HB1 CYS 36 3.192 3.006 7.096 305 HG CYS 36 HG CYS 36 4.765 6.020 6.736 306 H LEU 37 HN LEU 37 2.763 3.655 3.582 307 HA LEU 37 HA LEU 37 1.363 1.213 3.527 308 1HB LEU 37 HB2 LEU 37 1.532 3.441 1.502 309 2HB LEU 37 HB1 LEU 37 0.409 2.101 1.384 310 HG LEU 37 HG LEU 37 0.471 4.063 3.679 311 1HD1 LEU 37 HD11 LEU 37 -1.577 4.983 2.681 312 2HD1 LEU 37 HD12 LEU 37 -1.344 3.942 1.276 313 3HD1 LEU 37 HD13 LEU 37 -0.168 5.204 1.644 314 1HD2 LEU 37 HD21 LEU 37 -0.435 1.892 4.283 315 2HD2 LEU 37 HD22 LEU 37 -1.523 1.941 2.896 316 3HD2 LEU 37 HD23 LEU 37 -1.719 3.100 4.212 317 H GLY 38 HN GLY 38 3.817 2.524 1.294 318 1HA GLY 38 HA2 GLY 38 3.742 0.352 -0.509 319 2HA GLY 38 HA1 GLY 38 5.060 1.503 -0.348 320 H ASN 39 HN ASN 39 5.480 0.849 2.463 321 HA ASN 39 HA ASN 39 7.354 -1.261 2.132 322 1HB ASN 39 HB2 ASN 39 7.366 0.759 3.766 323 2HB ASN 39 HB1 ASN 39 6.373 -0.262 4.795 324 1HD2 ASN 39 HD21 ASN 39 9.115 0.844 5.034 325 2HD2 ASN 39 HD22 ASN 39 10.115 -0.519 5.397 326 H ALA 40 HN ALA 40 4.199 -0.978 3.709 327 HA ALA 40 HA ALA 40 4.031 -3.611 4.693 328 1HB ALA 40 HB1 ALA 40 2.555 -1.784 5.418 329 2HB ALA 40 HB2 ALA 40 1.647 -3.203 4.892 330 3HB ALA 40 HB3 ALA 40 1.778 -1.796 3.834 331 H VAL 41 HN VAL 41 3.079 -2.165 1.603 332 HA VAL 41 HA VAL 41 1.893 -4.401 0.412 333 HB VAL 41 HB VAL 41 3.579 -2.288 -0.958 334 1HG1 VAL 41 HG11 VAL 41 1.479 -4.145 -2.066 335 2HG1 VAL 41 HG12 VAL 41 3.215 -4.231 -2.364 336 3HG1 VAL 41 HG13 VAL 41 2.286 -2.854 -2.958 337 1HG2 VAL 41 HG21 VAL 41 1.744 -1.317 0.353 338 2HG2 VAL 41 HG22 VAL 41 0.597 -2.341 -0.511 339 3HG2 VAL 41 HG23 VAL 41 1.507 -1.104 -1.382 340 H THR 42 HN THR 42 5.262 -3.295 0.317 341 HA THR 42 HA THR 42 6.278 -5.350 -1.287 342 HB THR 42 HB THR 42 7.749 -3.782 0.841 343 HG1 THR 42 HG1 THR 42 6.832 -2.329 -0.589 344 1HG2 THR 42 HG21 THR 42 8.981 -5.741 -0.018 345 2HG2 THR 42 HG22 THR 42 9.733 -4.219 -0.489 346 3HG2 THR 42 HG23 THR 42 8.779 -5.130 -1.661 347 H ASN 43 HN ASN 43 5.761 -5.155 2.184 348 HA ASN 43 HA ASN 43 7.351 -7.357 2.925 349 1HB ASN 43 HB2 ASN 43 6.496 -5.608 4.496 350 2HB ASN 43 HB1 ASN 43 4.896 -6.332 4.364 351 1HD2 ASN 43 HD21 ASN 43 4.854 -6.796 6.570 352 2HD2 ASN 43 HD22 ASN 43 5.791 -8.075 7.259 353 H ILE 44 HN ILE 44 3.949 -7.144 1.926 354 HA ILE 44 HA ILE 44 3.585 -9.963 2.492 355 HB ILE 44 HB ILE 44 1.726 -8.366 2.891 356 1HG1 ILE 44 HG12 ILE 44 1.081 -10.491 0.837 357 2HG1 ILE 44 HG11 ILE 44 1.398 -10.816 2.538 358 1HG2 ILE 44 HG21 ILE 44 2.003 -6.899 0.979 359 2HG2 ILE 44 HG22 ILE 44 0.380 -7.590 0.992 360 3HG2 ILE 44 HG23 ILE 44 1.598 -8.219 -0.118 361 1HD1 ILE 44 HD11 ILE 44 -0.550 -9.476 3.147 362 2HD1 ILE 44 HD12 ILE 44 -0.978 -10.807 2.073 363 3HD1 ILE 44 HD13 ILE 44 -0.864 -9.165 1.442 364 H ILE 45 HN ILE 45 4.307 -7.957 -0.271 365 HA ILE 45 HA ILE 45 3.834 -9.889 -2.281 366 HB ILE 45 HB ILE 45 5.849 -7.635 -2.194 367 1HG1 ILE 45 HG12 ILE 45 3.167 -7.876 -3.575 368 2HG1 ILE 45 HG11 ILE 45 3.489 -6.937 -2.119 369 1HG2 ILE 45 HG21 ILE 45 6.023 -7.897 -4.633 370 2HG2 ILE 45 HG22 ILE 45 5.027 -9.349 -4.538 371 3HG2 ILE 45 HG23 ILE 45 6.613 -9.316 -3.768 372 1HD1 ILE 45 HD11 ILE 45 3.397 -5.489 -4.041 373 2HD1 ILE 45 HD12 ILE 45 4.631 -6.446 -4.862 374 3HD1 ILE 45 HD13 ILE 45 5.044 -5.531 -3.411 375 H ALA 46 HN ALA 46 6.418 -9.390 0.005 376 HA ALA 46 HA ALA 46 8.238 -11.252 -1.175 377 1HB ALA 46 HB1 ALA 46 8.147 -10.185 1.642 378 2HB ALA 46 HB2 ALA 46 8.996 -9.441 0.287 379 3HB ALA 46 HB3 ALA 46 9.505 -11.021 0.887 380 H GLN 47 HN GLN 47 5.347 -11.642 0.470 381 HA GLN 47 HA GLN 47 6.039 -14.258 1.562 382 1HB GLN 47 HB2 GLN 47 3.376 -12.822 1.527 383 2HB GLN 47 HB1 GLN 47 3.749 -14.291 2.419 384 1HG GLN 47 HG2 GLN 47 5.336 -13.086 3.800 385 2HG GLN 47 HG1 GLN 47 5.056 -11.615 2.870 386 1HE2 GLN 47 HE21 GLN 47 4.357 -10.451 4.628 387 2HE2 GLN 47 HE22 GLN 47 2.837 -10.736 5.395 388 H VAL 48 HN VAL 48 5.086 -12.874 -1.291 389 HA VAL 48 HA VAL 48 3.649 -15.194 -2.328 390 HB VAL 48 HB VAL 48 4.431 -12.614 -3.719 391 1HG1 VAL 48 HG11 VAL 48 3.978 -14.432 -5.277 392 2HG1 VAL 48 HG12 VAL 48 2.716 -13.202 -5.356 393 3HG1 VAL 48 HG13 VAL 48 2.417 -14.720 -4.505 394 1HG2 VAL 48 HG21 VAL 48 1.842 -13.366 -2.373 395 2HG2 VAL 48 HG22 VAL 48 2.093 -11.928 -3.362 396 3HG2 VAL 48 HG23 VAL 48 2.981 -12.127 -1.850 397 HA PRO 49 HA PRO 49 7.308 -17.174 -3.988 398 1HB PRO 49 HB2 PRO 49 5.493 -17.691 -6.299 399 2HB PRO 49 HB1 PRO 49 6.520 -18.815 -5.402 400 1HG PRO 49 HG2 PRO 49 3.892 -18.778 -4.998 401 2HG PRO 49 HG1 PRO 49 5.016 -18.998 -3.645 402 1HD PRO 49 HD2 PRO 49 3.446 -16.592 -4.436 403 2HD PRO 49 HD1 PRO 49 3.886 -17.173 -2.817 404 H GLU 50 HN GLU 50 8.954 -16.557 -5.273 405 HA GLU 50 HA GLU 50 9.016 -14.006 -6.380 406 1HB GLU 50 HB2 GLU 50 10.822 -16.369 -6.878 407 2HB GLU 50 HB1 GLU 50 11.159 -14.742 -7.455 408 1HG GLU 50 HG2 GLU 50 11.117 -13.952 -5.112 409 2HG GLU 50 HG1 GLU 50 10.907 -15.624 -4.590 410 H SER 51 HN SER 51 8.074 -17.009 -7.820 411 HA SER 51 HA SER 51 8.409 -16.637 -10.505 412 1HB SER 51 HB2 SER 51 7.418 -18.640 -9.384 413 2HB SER 51 HB1 SER 51 5.906 -17.753 -9.217 414 HG SER 51 HG SER 51 6.506 -17.532 -11.740 415 H LYS 52 HN LYS 52 5.892 -15.185 -8.466 416 HA LYS 52 HA LYS 52 5.094 -13.580 -10.801 417 1HB LYS 52 HB2 LYS 52 2.793 -13.504 -9.742 418 2HB LYS 52 HB1 LYS 52 3.276 -15.038 -10.451 419 1HG LYS 52 HG2 LYS 52 3.676 -15.997 -8.325 420 2HG LYS 52 HG1 LYS 52 3.536 -14.431 -7.521 421 1HD LYS 52 HD2 LYS 52 1.522 -15.817 -7.227 422 2HD LYS 52 HD1 LYS 52 1.184 -14.316 -8.087 423 1HE LYS 52 HE2 LYS 52 0.010 -16.168 -9.128 424 2HE LYS 52 HE1 LYS 52 1.241 -15.532 -10.219 425 1HZ LYS 52 HZ1 LYS 52 2.668 -17.369 -9.670 426 2HZ LYS 52 HZ2 LYS 52 1.166 -17.971 -10.159 427 3HZ LYS 52 HZ3 LYS 52 1.575 -17.942 -8.510 428 H ARG 53 HN ARG 53 6.880 -13.159 -8.259 429 HA ARG 53 HA ARG 53 5.662 -11.126 -6.727 430 1HB ARG 53 HB2 ARG 53 8.544 -11.769 -7.310 431 2HB ARG 53 HB1 ARG 53 8.109 -10.345 -6.379 432 1HG ARG 53 HG2 ARG 53 6.901 -11.835 -4.792 433 2HG ARG 53 HG1 ARG 53 7.553 -13.216 -5.679 434 1HD ARG 53 HD2 ARG 53 9.833 -12.397 -5.236 435 2HD ARG 53 HD1 ARG 53 9.157 -11.059 -4.310 436 HE ARG 53 HE ARG 53 8.138 -13.389 -3.199 437 1HH1 ARG 53 HH11 ARG 53 11.285 -11.904 -3.653 438 2HH1 ARG 53 HH12 ARG 53 11.975 -12.624 -2.235 439 1HH2 ARG 53 HH21 ARG 53 9.062 -14.347 -1.331 440 2HH2 ARG 53 HH22 ARG 53 10.723 -14.034 -0.931 441 H VAL 54 HN VAL 54 7.523 -11.004 -9.719 442 HA VAL 54 HA VAL 54 7.587 -8.169 -9.901 443 HB VAL 54 HB VAL 54 7.820 -10.176 -12.151 444 1HG1 VAL 54 HG11 VAL 54 9.100 -8.403 -13.271 445 2HG1 VAL 54 HG12 VAL 54 8.751 -7.316 -11.928 446 3HG1 VAL 54 HG13 VAL 54 7.438 -7.912 -12.945 447 1HG2 VAL 54 HG21 VAL 54 10.242 -10.006 -11.811 448 2HG2 VAL 54 HG22 VAL 54 9.431 -10.663 -10.389 449 3HG2 VAL 54 HG23 VAL 54 9.968 -8.983 -10.402 450 H ALA 55 HN ALA 55 5.409 -10.664 -11.089 451 HA ALA 55 HA ALA 55 3.854 -9.032 -12.778 452 1HB ALA 55 HB1 ALA 55 3.877 -11.483 -12.892 453 2HB ALA 55 HB2 ALA 55 2.239 -10.842 -12.749 454 3HB ALA 55 HB3 ALA 55 3.033 -11.554 -11.345 455 H VAL 56 HN VAL 56 3.410 -9.988 -9.374 456 HA VAL 56 HA VAL 56 0.881 -8.731 -9.141 457 HB VAL 56 HB VAL 56 1.128 -9.011 -6.702 458 1HG1 VAL 56 HG11 VAL 56 1.883 -11.422 -8.341 459 2HG1 VAL 56 HG12 VAL 56 0.248 -10.828 -8.048 460 3HG1 VAL 56 HG13 VAL 56 1.210 -11.461 -6.712 461 1HG2 VAL 56 HG21 VAL 56 3.537 -8.607 -6.521 462 2HG2 VAL 56 HG22 VAL 56 3.848 -10.130 -7.354 463 3HG2 VAL 56 HG23 VAL 56 3.071 -10.134 -5.770 464 H VAL 57 HN VAL 57 4.174 -7.601 -8.483 465 HA VAL 57 HA VAL 57 3.262 -5.218 -7.182 466 HB VAL 57 HB VAL 57 5.489 -6.171 -6.689 467 1HG1 VAL 57 HG11 VAL 57 6.116 -6.866 -8.946 468 2HG1 VAL 57 HG12 VAL 57 7.353 -5.844 -8.213 469 3HG1 VAL 57 HG13 VAL 57 6.260 -5.177 -9.427 470 1HG2 VAL 57 HG21 VAL 57 5.040 -3.855 -6.143 471 2HG2 VAL 57 HG22 VAL 57 5.523 -3.355 -7.764 472 3HG2 VAL 57 HG23 VAL 57 6.716 -4.042 -6.662 473 H ASP 58 HN ASP 58 4.073 -6.087 -10.488 474 HA ASP 58 HA ASP 58 4.183 -3.370 -11.399 475 1HB ASP 58 HB2 ASP 58 5.175 -5.562 -12.490 476 2HB ASP 58 HB1 ASP 58 3.604 -5.614 -13.286 477 H ASN 59 HN ASN 59 1.705 -5.868 -11.226 478 HA ASN 59 HA ASN 59 -0.293 -4.379 -12.606 479 1HB ASN 59 HB2 ASN 59 -0.315 -6.758 -10.798 480 2HB ASN 59 HB1 ASN 59 -1.833 -5.926 -11.110 481 1HD2 ASN 59 HD21 ASN 59 0.730 -7.831 -12.472 482 2HD2 ASN 59 HD22 ASN 59 -0.084 -8.232 -13.952 483 H PHE 60 HN PHE 60 0.821 -4.509 -9.302 484 HA PHE 60 HA PHE 60 -1.229 -2.984 -8.106 485 1HB PHE 60 HB2 PHE 60 0.550 -4.353 -6.922 486 2HB PHE 60 HB1 PHE 60 1.678 -3.048 -7.280 487 HD1 PHE 60 HD1 PHE 60 -1.385 -3.929 -5.421 488 HD2 PHE 60 HD2 PHE 60 1.722 -1.076 -5.991 489 HE1 PHE 60 HE1 PHE 60 -2.076 -2.767 -3.365 490 HE2 PHE 60 HE2 PHE 60 1.035 0.088 -3.938 491 HZ PHE 60 HZ PHE 60 -0.863 -0.758 -2.622 492 H THR 61 HN THR 61 1.967 -2.090 -9.377 493 HA THR 61 HA THR 61 1.694 0.683 -8.931 494 HB THR 61 HB THR 61 3.595 0.879 -10.573 495 HG1 THR 61 HG1 THR 61 3.144 -0.957 -11.872 496 1HG2 THR 61 HG21 THR 61 5.214 -0.300 -9.140 497 2HG2 THR 61 HG22 THR 61 3.884 -1.165 -8.370 498 3HG2 THR 61 HG23 THR 61 4.017 0.587 -8.193 499 H LYS 62 HN LYS 62 0.820 -1.413 -11.584 500 HA LYS 62 HA LYS 62 0.151 0.441 -13.551 501 1HB LYS 62 HB2 LYS 62 0.171 -1.906 -14.043 502 2HB LYS 62 HB1 LYS 62 -1.036 -2.233 -12.811 503 1HG LYS 62 HG2 LYS 62 -2.617 -0.809 -14.202 504 2HG LYS 62 HG1 LYS 62 -1.409 -0.934 -15.487 505 1HD LYS 62 HD2 LYS 62 -1.562 -3.344 -15.450 506 2HD LYS 62 HD1 LYS 62 -2.656 -3.286 -14.068 507 1HE LYS 62 HE2 LYS 62 -4.259 -2.001 -15.494 508 2HE LYS 62 HE1 LYS 62 -3.195 -2.308 -16.867 509 1HZ LYS 62 HZ1 LYS 62 -4.952 -3.930 -16.816 510 2HZ LYS 62 HZ2 LYS 62 -4.581 -4.354 -15.218 511 3HZ LYS 62 HZ3 LYS 62 -3.483 -4.702 -16.460 512 H ALA 63 HN ALA 63 -1.973 -1.030 -11.100 513 HA ALA 63 HA ALA 63 -4.288 0.396 -11.753 514 1HB ALA 63 HB1 ALA 63 -3.519 -0.757 -9.075 515 2HB ALA 63 HB2 ALA 63 -4.291 -1.640 -10.393 516 3HB ALA 63 HB3 ALA 63 -5.148 -0.322 -9.591 517 H LEU 64 HN LEU 64 -1.720 1.122 -9.429 518 HA LEU 64 HA LEU 64 -2.865 3.311 -8.159 519 1HB LEU 64 HB2 LEU 64 -0.007 2.633 -8.788 520 2HB LEU 64 HB1 LEU 64 -0.437 4.067 -7.876 521 HG LEU 64 HG LEU 64 -1.164 1.255 -7.047 522 1HD1 LEU 64 HD11 LEU 64 0.614 1.493 -5.388 523 2HD1 LEU 64 HD12 LEU 64 1.071 3.041 -6.098 524 3HD1 LEU 64 HD13 LEU 64 1.247 1.555 -7.031 525 1HD2 LEU 64 HD21 LEU 64 -1.311 3.913 -5.627 526 2HD2 LEU 64 HD22 LEU 64 -1.613 2.341 -4.879 527 3HD2 LEU 64 HD23 LEU 64 -2.672 2.926 -6.164 528 H LYS 65 HN LYS 65 -0.643 3.372 -10.962 529 HA LYS 65 HA LYS 65 -0.714 6.129 -11.362 530 1HB LYS 65 HB2 LYS 65 -0.176 3.830 -13.215 531 2HB LYS 65 HB1 LYS 65 -0.147 5.489 -13.791 532 1HG LYS 65 HG2 LYS 65 1.627 6.044 -12.264 533 2HG LYS 65 HG1 LYS 65 1.540 4.440 -11.533 534 1HD LYS 65 HD2 LYS 65 2.276 3.406 -13.575 535 2HD LYS 65 HD1 LYS 65 2.208 4.947 -14.432 536 1HE LYS 65 HE2 LYS 65 3.990 4.433 -12.060 537 2HE LYS 65 HE1 LYS 65 4.506 4.193 -13.730 538 1HZ LYS 65 HZ1 LYS 65 4.187 6.495 -14.180 539 2HZ LYS 65 HZ2 LYS 65 5.132 6.376 -12.781 540 3HZ LYS 65 HZ3 LYS 65 3.485 6.775 -12.663 541 H GLN 66 HN GLN 66 -2.874 3.614 -12.548 542 HA GLN 66 HA GLN 66 -4.221 5.291 -14.407 543 1HB GLN 66 HB2 GLN 66 -5.025 2.650 -13.185 544 2HB GLN 66 HB1 GLN 66 -5.899 3.447 -14.488 545 1HG GLN 66 HG2 GLN 66 -3.847 3.358 -15.860 546 2HG GLN 66 HG1 GLN 66 -3.064 2.447 -14.573 547 1HE2 GLN 66 HE21 GLN 66 -3.655 1.755 -17.348 548 2HE2 GLN 66 HE22 GLN 66 -4.569 0.285 -17.286 549 H SER 67 HN SER 67 -4.749 4.524 -11.015 550 HA SER 67 HA SER 67 -7.361 5.800 -11.065 551 1HB SER 67 HB2 SER 67 -6.866 3.708 -9.731 552 2HB SER 67 HB1 SER 67 -5.895 4.714 -8.657 553 HG SER 67 HG SER 67 -8.658 5.042 -9.218 554 H VAL 68 HN VAL 68 -4.155 6.758 -10.615 555 HA VAL 68 HA VAL 68 -4.865 9.034 -8.936 556 HB VAL 68 HB VAL 68 -2.206 8.150 -10.063 557 1HG1 VAL 68 HG11 VAL 68 -1.209 9.935 -8.699 558 2HG1 VAL 68 HG12 VAL 68 -2.823 10.517 -8.294 559 3HG1 VAL 68 HG13 VAL 68 -2.255 10.584 -9.962 560 1HG2 VAL 68 HG21 VAL 68 -3.094 6.800 -8.215 561 2HG2 VAL 68 HG22 VAL 68 -3.247 8.257 -7.232 562 3HG2 VAL 68 HG23 VAL 68 -1.653 7.698 -7.738 563 H LEU 69 HN LEU 69 -3.645 8.389 -12.213 564 HA LEU 69 HA LEU 69 -3.631 11.101 -13.032 565 1HB LEU 69 HB2 LEU 69 -3.852 8.569 -14.665 566 2HB LEU 69 HB1 LEU 69 -3.581 10.165 -15.342 567 HG LEU 69 HG LEU 69 -1.709 8.698 -13.478 568 1HD1 LEU 69 HD11 LEU 69 -1.471 9.323 -16.418 569 2HD1 LEU 69 HD12 LEU 69 -1.773 7.734 -15.716 570 3HD1 LEU 69 HD13 LEU 69 -0.241 8.552 -15.415 571 1HD2 LEU 69 HD21 LEU 69 -0.161 10.523 -13.885 572 2HD2 LEU 69 HD22 LEU 69 -1.651 11.131 -13.165 573 3HD2 LEU 69 HD23 LEU 69 -1.357 11.341 -14.892 574 H GLU 70 HN GLU 70 -6.033 8.528 -13.243 575 HA GLU 70 HA GLU 70 -8.053 10.621 -13.592 576 1HB GLU 70 HB2 GLU 70 -7.827 9.390 -15.714 577 2HB GLU 70 HB1 GLU 70 -8.129 7.877 -14.869 578 1HG GLU 70 HG2 GLU 70 -10.087 8.816 -16.098 579 2HG GLU 70 HG1 GLU 70 -10.367 8.498 -14.386 580 H HIS 71 HN HIS 71 -9.179 10.728 -11.802 581 HA HIS 71 HA HIS 71 -9.321 8.333 -10.096 582 1HB HIS 71 HB2 HIS 71 -8.045 10.377 -9.294 583 2HB HIS 71 HB1 HIS 71 -9.595 11.203 -9.203 584 HD1 HIS 71 HD1 HIS 71 -7.934 8.096 -7.785 585 HD2 HIS 71 HD2 HIS 71 -10.832 10.915 -6.804 586 HE1 HIS 71 HE1 HIS 71 -8.619 7.573 -5.421 587 HE2 HIS 71 HE2 HIS 71 -10.210 9.426 -4.780 588 H HIS 72 HN HIS 72 -11.154 10.240 -12.095 589 HA HIS 72 HA HIS 72 -13.605 9.014 -11.412 590 1HB HIS 72 HB2 HIS 72 -13.374 10.713 -9.514 591 2HB HIS 72 HB1 HIS 72 -13.537 11.967 -10.736 592 HD1 HIS 72 HD1 HIS 72 -15.878 12.651 -11.329 593 HD2 HIS 72 HD2 HIS 72 -15.734 9.020 -9.298 594 HE1 HIS 72 HE1 HIS 72 -18.268 12.057 -10.824 595 HE2 HIS 72 HE2 HIS 72 -18.124 10.013 -9.359 596 H HIS 73 HN HIS 73 -12.896 12.336 -12.378 597 HA HIS 73 HA HIS 73 -12.594 11.740 -15.117 598 1HB HIS 73 HB2 HIS 73 -15.098 11.586 -14.945 599 2HB HIS 73 HB1 HIS 73 -15.118 13.278 -14.455 600 HD1 HIS 73 HD1 HIS 73 -14.197 11.096 -17.408 601 HD2 HIS 73 HD2 HIS 73 -14.998 15.083 -16.527 602 HE1 HIS 73 HE1 HIS 73 -14.302 12.275 -19.625 603 HE2 HIS 73 HE2 HIS 73 -14.652 14.707 -19.064 604 H HIS 74 HN HIS 74 -10.781 12.897 -15.045 605 HA HIS 74 HA HIS 74 -10.319 15.199 -13.570 606 1HB HIS 74 HB2 HIS 74 -8.314 15.523 -14.889 607 2HB HIS 74 HB1 HIS 74 -8.528 13.813 -14.554 608 HD1 HIS 74 HD1 HIS 74 -9.509 12.371 -16.633 609 HD2 HIS 74 HD2 HIS 74 -7.981 16.142 -17.518 610 HE1 HIS 74 HE1 HIS 74 -9.066 12.365 -19.105 611 HE2 HIS 74 HE2 HIS 74 -7.922 14.559 -19.569 612 H HIS 75 HN HIS 75 -10.631 17.294 -13.812 613 HA HIS 75 HA HIS 75 -12.497 18.197 -15.799 614 1HB HIS 75 HB2 HIS 75 -12.546 18.990 -13.440 615 2HB HIS 75 HB1 HIS 75 -10.989 19.766 -13.688 616 HD1 HIS 75 HD1 HIS 75 -10.968 22.024 -14.915 617 HD2 HIS 75 HD2 HIS 75 -14.736 20.279 -14.665 618 HE1 HIS 75 HE1 HIS 75 -12.593 23.807 -15.624 619 HE2 HIS 75 HE2 HIS 75 -14.872 22.788 -15.283 620 H HIS 76 HN HIS 76 -12.124 19.661 -17.458 621 HA HIS 76 HA HIS 76 -9.450 19.806 -18.493 622 1HB HIS 76 HB2 HIS 76 -11.971 21.222 -19.396 623 2HB HIS 76 HB1 HIS 76 -10.449 21.214 -20.275 624 HD1 HIS 76 HD1 HIS 76 -13.479 19.915 -20.842 625 HD2 HIS 76 HD2 HIS 76 -9.810 18.040 -20.284 626 HE1 HIS 76 HE1 HIS 76 -13.695 17.658 -21.942 627 HE2 HIS 76 HE2 HIS 76 -11.393 16.638 -21.772 628 1H MET 1 HT1 MET 1 16.521 28.634 6.301 629 2H MET 1 HT2 MET 1 14.846 28.397 6.293 630 3H MET 1 HT3 MET 1 15.794 27.797 5.021 631 HA MET 1 HA MET 1 16.900 26.279 6.525 632 1HB MET 1 HB2 MET 1 14.898 27.325 8.541 633 2HB MET 1 HB1 MET 1 15.979 25.965 8.792 634 1HG MET 1 HG2 MET 1 17.901 27.447 8.603 635 2HG MET 1 HG1 MET 1 16.824 28.814 8.330 636 1HE MET 1 HE1 MET 1 18.128 26.153 10.858 637 2HE MET 1 HE2 MET 1 16.402 25.786 10.839 638 3HE MET 1 HE3 MET 1 17.142 26.464 12.287 639 HA PRO 2 HA PRO 2 13.474 23.920 4.862 640 1HB PRO 2 HB2 PRO 2 14.821 21.619 4.497 641 2HB PRO 2 HB1 PRO 2 15.040 23.009 3.428 642 1HG PRO 2 HG2 PRO 2 16.772 22.045 5.665 643 2HG PRO 2 HG1 PRO 2 17.240 22.701 4.086 644 1HD PRO 2 HD2 PRO 2 17.237 24.145 6.434 645 2HD PRO 2 HD1 PRO 2 17.106 24.862 4.817 646 H ILE 3 HN ILE 3 11.941 22.847 5.948 647 HA ILE 3 HA ILE 3 12.460 21.926 8.619 648 HB ILE 3 HB ILE 3 10.021 21.234 8.560 649 1HG1 ILE 3 HG12 ILE 3 10.084 22.739 5.932 650 2HG1 ILE 3 HG11 ILE 3 9.816 21.007 6.104 651 1HG2 ILE 3 HG21 ILE 3 10.734 23.302 9.574 652 2HG2 ILE 3 HG22 ILE 3 9.227 23.571 8.697 653 3HG2 ILE 3 HG23 ILE 3 10.760 24.102 8.003 654 1HD1 ILE 3 HD11 ILE 3 8.022 23.182 7.165 655 2HD1 ILE 3 HD12 ILE 3 7.749 21.445 7.320 656 3HD1 ILE 3 HD13 ILE 3 7.736 22.202 5.727 657 H VAL 4 HN VAL 4 13.814 20.205 8.525 658 HA VAL 4 HA VAL 4 12.958 17.875 6.970 659 HB VAL 4 HB VAL 4 15.229 18.623 6.507 660 1HG1 VAL 4 HG11 VAL 4 15.772 19.703 8.603 661 2HG1 VAL 4 HG12 VAL 4 16.991 18.489 8.217 662 3HG1 VAL 4 HG13 VAL 4 15.763 18.148 9.436 663 1HG2 VAL 4 HG21 VAL 4 14.782 16.244 6.340 664 2HG2 VAL 4 HG22 VAL 4 15.174 16.031 8.046 665 3HG2 VAL 4 HG23 VAL 4 16.429 16.520 6.907 666 H SER 5 HN SER 5 12.322 16.047 7.914 667 HA SER 5 HA SER 5 13.161 15.228 10.505 668 1HB SER 5 HB2 SER 5 11.419 16.869 11.172 669 2HB SER 5 HB1 SER 5 10.243 16.003 10.186 670 HG SER 5 HG SER 5 10.486 15.537 12.602 671 H LYS 6 HN LYS 6 12.230 13.115 11.052 672 HA LYS 6 HA LYS 6 10.834 11.782 8.858 673 1HB LYS 6 HB2 LYS 6 12.310 9.791 9.126 674 2HB LYS 6 HB1 LYS 6 13.137 11.199 8.476 675 1HG LYS 6 HG2 LYS 6 14.006 11.659 10.768 676 2HG LYS 6 HG1 LYS 6 13.302 10.123 11.284 677 1HD LYS 6 HD2 LYS 6 14.662 8.963 9.588 678 2HD LYS 6 HD1 LYS 6 15.391 10.504 9.137 679 1HE LYS 6 HE2 LYS 6 16.257 10.733 11.431 680 2HE LYS 6 HE1 LYS 6 15.572 9.159 11.832 681 1HZ LYS 6 HZ1 LYS 6 16.985 8.208 10.047 682 2HZ LYS 6 HZ2 LYS 6 17.868 8.879 11.328 683 3HZ LYS 6 HZ3 LYS 6 17.725 9.724 9.863 684 H TYR 7 HN TYR 7 10.406 12.838 11.670 685 HA TYR 7 HA TYR 7 9.163 12.339 13.495 686 1HB TYR 7 HB2 TYR 7 8.238 9.985 11.827 687 2HB TYR 7 HB1 TYR 7 7.437 10.601 13.268 688 HD1 TYR 7 HD2 TYR 7 6.180 12.693 13.192 689 HD2 TYR 7 HD1 TYR 7 8.074 11.153 9.708 690 HE1 TYR 7 HE2 TYR 7 4.847 14.220 11.798 691 HE2 TYR 7 HE1 TYR 7 6.747 12.673 8.305 692 HH TYR 7 HH TYR 7 4.888 15.250 9.620 693 H SER 8 HN SER 8 8.458 9.979 14.750 694 HA SER 8 HA SER 8 10.986 8.984 15.703 695 1HB SER 8 HB2 SER 8 8.183 8.037 16.369 696 2HB SER 8 HB1 SER 8 9.651 7.732 17.302 697 HG SER 8 HG SER 8 9.784 9.967 17.718 698 H ASN 9 HN ASN 9 12.070 7.457 14.599 699 HA ASN 9 HA ASN 9 10.990 6.153 12.363 700 1HB ASN 9 HB2 ASN 9 13.419 6.583 12.718 701 2HB ASN 9 HB1 ASN 9 13.435 5.298 13.926 702 1HD2 ASN 9 HD21 ASN 9 13.257 6.065 10.556 703 2HD2 ASN 9 HD22 ASN 9 13.480 4.457 9.968 704 H GLU 10 HN GLU 10 11.567 4.981 15.654 705 HA GLU 10 HA GLU 10 10.745 2.347 15.331 706 1HB GLU 10 HB2 GLU 10 10.288 4.133 17.732 707 2HB GLU 10 HB1 GLU 10 10.169 2.382 17.734 708 1HG GLU 10 HG2 GLU 10 12.260 2.776 18.637 709 2HG GLU 10 HG1 GLU 10 12.615 2.420 16.949 710 H ARG 11 HN ARG 11 8.837 5.261 15.892 711 HA ARG 11 HA ARG 11 6.328 3.949 16.080 712 1HB ARG 11 HB2 ARG 11 6.606 6.188 16.965 713 2HB ARG 11 HB1 ARG 11 7.008 6.804 15.368 714 1HG ARG 11 HG2 ARG 11 4.742 6.201 14.602 715 2HG ARG 11 HG1 ARG 11 4.351 5.689 16.243 716 1HD ARG 11 HD2 ARG 11 4.779 7.946 17.057 717 2HD ARG 11 HD1 ARG 11 5.203 8.464 15.427 718 HE ARG 11 HE ARG 11 2.620 7.340 15.402 719 1HH1 ARG 11 HH11 ARG 11 4.336 10.179 16.531 720 2HH1 ARG 11 HH12 ARG 11 2.930 11.203 16.494 721 1HH2 ARG 11 HH21 ARG 11 0.780 8.663 15.347 722 2HH2 ARG 11 HH22 ARG 11 0.895 10.334 15.828 723 H VAL 12 HN VAL 12 8.081 5.502 13.419 724 HA VAL 12 HA VAL 12 6.155 5.289 11.425 725 HB VAL 12 HB VAL 12 9.156 5.014 11.144 726 1HG1 VAL 12 HG11 VAL 12 8.812 5.649 8.796 727 2HG1 VAL 12 HG12 VAL 12 7.066 5.581 9.040 728 3HG1 VAL 12 HG13 VAL 12 8.034 4.113 9.184 729 1HG2 VAL 12 HG21 VAL 12 7.335 7.401 10.850 730 2HG2 VAL 12 HG22 VAL 12 9.063 7.383 10.500 731 3HG2 VAL 12 HG23 VAL 12 8.496 7.122 12.149 732 H GLU 13 HN GLU 13 8.622 2.932 12.413 733 HA GLU 13 HA GLU 13 7.859 0.918 10.581 734 1HB GLU 13 HB2 GLU 13 10.023 1.018 11.878 735 2HB GLU 13 HB1 GLU 13 9.122 0.497 13.294 736 1HG GLU 13 HG2 GLU 13 8.489 -1.560 12.125 737 2HG GLU 13 HG1 GLU 13 9.429 -1.041 10.726 738 H LYS 14 HN LYS 14 6.773 1.778 13.812 739 HA LYS 14 HA LYS 14 5.151 -0.521 14.196 740 1HB LYS 14 HB2 LYS 14 5.920 0.904 16.063 741 2HB LYS 14 HB1 LYS 14 4.891 2.205 15.475 742 1HG LYS 14 HG2 LYS 14 3.794 1.107 17.298 743 2HG LYS 14 HG1 LYS 14 2.921 0.739 15.811 744 1HD LYS 14 HD2 LYS 14 4.265 -1.400 15.705 745 2HD LYS 14 HD1 LYS 14 4.801 -1.040 17.345 746 1HE LYS 14 HE2 LYS 14 2.978 -2.483 17.618 747 2HE LYS 14 HE1 LYS 14 2.331 -0.875 17.940 748 1HZ LYS 14 HZ1 LYS 14 1.548 -0.843 15.601 749 2HZ LYS 14 HZ2 LYS 14 0.803 -2.030 16.551 750 3HZ LYS 14 HZ3 LYS 14 2.021 -2.464 15.452 751 H ILE 15 HN ILE 15 4.670 2.524 12.553 752 HA ILE 15 HA ILE 15 1.841 2.350 12.294 753 HB ILE 15 HB ILE 15 3.837 3.712 10.465 754 1HG1 ILE 15 HG12 ILE 15 2.130 4.863 12.687 755 2HG1 ILE 15 HG11 ILE 15 3.855 4.524 12.820 756 1HG2 ILE 15 HG21 ILE 15 1.708 3.312 9.344 757 2HG2 ILE 15 HG22 ILE 15 1.924 5.031 9.679 758 3HG2 ILE 15 HG23 ILE 15 0.848 4.064 10.688 759 1HD1 ILE 15 HD11 ILE 15 3.419 6.887 12.420 760 2HD1 ILE 15 HD12 ILE 15 2.598 6.479 10.912 761 3HD1 ILE 15 HD13 ILE 15 4.323 6.160 11.092 762 H ILE 16 HN ILE 16 4.534 1.410 10.189 763 HA ILE 16 HA ILE 16 3.080 0.143 8.160 764 HB ILE 16 HB ILE 16 5.777 -0.720 9.229 765 1HG1 ILE 16 HG12 ILE 16 5.190 1.310 7.072 766 2HG1 ILE 16 HG11 ILE 16 5.610 1.735 8.726 767 1HG2 ILE 16 HG21 ILE 16 6.161 -1.490 6.929 768 2HG2 ILE 16 HG22 ILE 16 4.518 -1.010 6.502 769 3HG2 ILE 16 HG23 ILE 16 4.782 -2.303 7.670 770 1HD1 ILE 16 HD11 ILE 16 7.528 1.910 7.264 771 2HD1 ILE 16 HD12 ILE 16 7.343 0.221 6.792 772 3HD1 ILE 16 HD13 ILE 16 7.769 0.631 8.454 773 H GLN 17 HN GLN 17 4.381 -1.072 11.203 774 HA GLN 17 HA GLN 17 3.552 -3.752 10.859 775 1HB GLN 17 HB2 GLN 17 5.318 -2.778 12.468 776 2HB GLN 17 HB1 GLN 17 3.964 -2.414 13.528 777 1HG GLN 17 HG2 GLN 17 4.495 -5.178 12.485 778 2HG GLN 17 HG1 GLN 17 5.223 -4.563 13.965 779 1HE2 GLN 17 HE21 GLN 17 3.244 -6.731 13.366 780 2HE2 GLN 17 HE22 GLN 17 1.910 -6.405 14.422 781 H ASP 18 HN ASP 18 1.964 -0.884 12.123 782 HA ASP 18 HA ASP 18 -0.147 -2.239 13.460 783 1HB ASP 18 HB2 ASP 18 0.579 0.189 13.787 784 2HB ASP 18 HB1 ASP 18 -0.321 0.553 12.319 785 H LEU 19 HN LEU 19 0.276 -0.977 10.201 786 HA LEU 19 HA LEU 19 -2.269 -1.588 9.185 787 1HB LEU 19 HB2 LEU 19 0.433 -1.642 7.830 788 2HB LEU 19 HB1 LEU 19 -1.095 -1.767 6.983 789 HG LEU 19 HG LEU 19 -0.317 0.620 8.657 790 1HD1 LEU 19 HD11 LEU 19 0.201 1.746 6.571 791 2HD1 LEU 19 HD12 LEU 19 -0.140 0.271 5.667 792 3HD1 LEU 19 HD13 LEU 19 1.232 0.329 6.773 793 1HD2 LEU 19 HD21 LEU 19 -2.713 0.336 8.353 794 2HD2 LEU 19 HD22 LEU 19 -2.490 0.180 6.610 795 3HD2 LEU 19 HD23 LEU 19 -2.129 1.709 7.413 796 H LEU 20 HN LEU 20 0.699 -3.493 9.401 797 HA LEU 20 HA LEU 20 -0.247 -5.878 8.256 798 1HB LEU 20 HB2 LEU 20 1.861 -5.465 10.379 799 2HB LEU 20 HB1 LEU 20 1.642 -6.936 9.452 800 HG LEU 20 HG LEU 20 2.365 -4.259 8.252 801 1HD1 LEU 20 HD11 LEU 20 4.156 -5.069 9.680 802 2HD1 LEU 20 HD12 LEU 20 4.607 -5.208 7.981 803 3HD1 LEU 20 HD13 LEU 20 4.104 -6.639 8.880 804 1HD2 LEU 20 HD21 LEU 20 2.905 -5.595 6.265 805 2HD2 LEU 20 HD22 LEU 20 1.200 -5.718 6.696 806 3HD2 LEU 20 HD23 LEU 20 2.304 -7.039 7.081 807 H ASP 21 HN ASP 21 -0.357 -4.619 11.517 808 HA ASP 21 HA ASP 21 -1.238 -6.933 12.845 809 1HB ASP 21 HB2 ASP 21 -0.332 -4.877 13.937 810 2HB ASP 21 HB1 ASP 21 -1.846 -4.066 13.560 811 H VAL 22 HN VAL 22 -2.970 -4.353 11.187 812 HA VAL 22 HA VAL 22 -5.574 -5.343 11.827 813 HB VAL 22 HB VAL 22 -4.703 -3.521 9.571 814 1HG1 VAL 22 HG11 VAL 22 -7.457 -4.032 10.693 815 2HG1 VAL 22 HG12 VAL 22 -6.866 -4.573 9.122 816 3HG1 VAL 22 HG13 VAL 22 -7.049 -2.850 9.449 817 1HG2 VAL 22 HG21 VAL 22 -5.503 -1.713 11.018 818 2HG2 VAL 22 HG22 VAL 22 -4.184 -2.609 11.771 819 3HG2 VAL 22 HG23 VAL 22 -5.847 -2.886 12.289 820 H LEU 23 HN LEU 23 -3.303 -5.789 9.173 821 HA LEU 23 HA LEU 23 -4.983 -7.275 7.471 822 1HB LEU 23 HB2 LEU 23 -1.984 -7.410 7.795 823 2HB LEU 23 HB1 LEU 23 -2.881 -8.124 6.470 824 HG LEU 23 HG LEU 23 -2.670 -5.175 7.080 825 1HD1 LEU 23 HD11 LEU 23 -0.610 -6.096 6.185 826 2HD1 LEU 23 HD12 LEU 23 -1.410 -5.088 4.979 827 3HD1 LEU 23 HD13 LEU 23 -1.499 -6.844 4.859 828 1HD2 LEU 23 HD21 LEU 23 -4.061 -6.606 4.820 829 2HD2 LEU 23 HD22 LEU 23 -3.847 -4.861 4.957 830 3HD2 LEU 23 HD23 LEU 23 -4.842 -5.721 6.132 831 H VAL 24 HN VAL 24 -2.865 -8.248 10.141 832 HA VAL 24 HA VAL 24 -3.545 -11.040 9.790 833 HB VAL 24 HB VAL 24 -1.297 -10.342 10.616 834 1HG1 VAL 24 HG11 VAL 24 -1.921 -8.516 12.068 835 2HG1 VAL 24 HG12 VAL 24 -1.040 -9.740 12.982 836 3HG1 VAL 24 HG13 VAL 24 -2.793 -9.623 13.127 837 1HG2 VAL 24 HG21 VAL 24 -2.864 -12.134 12.464 838 2HG2 VAL 24 HG22 VAL 24 -1.106 -12.083 12.325 839 3HG2 VAL 24 HG23 VAL 24 -2.085 -12.612 10.955 840 H LYS 25 HN LYS 25 -4.612 -8.332 11.713 841 HA LYS 25 HA LYS 25 -6.174 -9.537 13.649 842 1HB LYS 25 HB2 LYS 25 -5.896 -7.128 13.493 843 2HB LYS 25 HB1 LYS 25 -6.755 -7.095 11.962 844 1HG LYS 25 HG2 LYS 25 -8.795 -7.851 13.145 845 2HG LYS 25 HG1 LYS 25 -7.909 -7.732 14.668 846 1HD LYS 25 HD2 LYS 25 -7.531 -5.354 14.272 847 2HD LYS 25 HD1 LYS 25 -8.383 -5.464 12.730 848 1HE LYS 25 HE2 LYS 25 -9.605 -6.089 15.412 849 2HE LYS 25 HE1 LYS 25 -9.764 -4.543 14.580 850 1HZ LYS 25 HZ1 LYS 25 -11.487 -6.576 14.333 851 2HZ LYS 25 HZ2 LYS 25 -10.483 -6.859 12.990 852 3HZ LYS 25 HZ3 LYS 25 -11.271 -5.366 13.168 853 H GLU 26 HN GLU 26 -7.039 -8.823 10.282 854 HA GLU 26 HA GLU 26 -9.504 -10.365 10.540 855 1HB GLU 26 HB2 GLU 26 -8.442 -8.984 8.072 856 2HB GLU 26 HB1 GLU 26 -10.097 -9.475 8.400 857 1HG GLU 26 HG2 GLU 26 -8.601 -7.331 9.883 858 2HG GLU 26 HG1 GLU 26 -9.759 -7.054 8.585 859 H GLU 27 HN GLU 27 -6.309 -10.898 9.790 860 HA GLU 27 HA GLU 27 -5.090 -12.377 8.594 861 1HB GLU 27 HB2 GLU 27 -7.537 -14.081 9.059 862 2HB GLU 27 HB1 GLU 27 -6.017 -14.690 8.418 863 1HG GLU 27 HG2 GLU 27 -4.903 -13.899 10.499 864 2HG GLU 27 HG1 GLU 27 -6.498 -13.502 11.138 865 H VAL 28 HN VAL 28 -5.561 -10.729 6.883 866 HA VAL 28 HA VAL 28 -7.335 -11.465 4.759 867 HB VAL 28 HB VAL 28 -6.409 -9.594 3.533 868 1HG1 VAL 28 HG11 VAL 28 -6.834 -7.781 5.134 869 2HG1 VAL 28 HG12 VAL 28 -6.763 -8.947 6.456 870 3HG1 VAL 28 HG13 VAL 28 -8.037 -9.066 5.242 871 1HG2 VAL 28 HG21 VAL 28 -4.341 -9.415 5.722 872 2HG2 VAL 28 HG22 VAL 28 -4.540 -8.277 4.389 873 3HG2 VAL 28 HG23 VAL 28 -4.053 -9.940 4.062 874 H THR 29 HN THR 29 -6.418 -11.522 2.464 875 HA THR 29 HA THR 29 -4.135 -13.374 2.362 876 HB THR 29 HB THR 29 -5.118 -14.011 0.110 877 HG1 THR 29 HG1 THR 29 -7.332 -13.411 -0.188 878 1HG2 THR 29 HG21 THR 29 -6.865 -15.439 1.058 879 2HG2 THR 29 HG22 THR 29 -6.881 -14.462 2.526 880 3HG2 THR 29 HG23 THR 29 -5.449 -15.403 2.108 881 HA PRO 30 HA PRO 30 -1.645 -10.671 -0.183 882 1HB PRO 30 HB2 PRO 30 -1.589 -12.096 -2.614 883 2HB PRO 30 HB1 PRO 30 -0.418 -12.213 -1.300 884 1HG PRO 30 HG2 PRO 30 -2.736 -13.967 -1.935 885 2HG PRO 30 HG1 PRO 30 -1.158 -14.391 -1.246 886 1HD PRO 30 HD2 PRO 30 -3.350 -14.296 0.278 887 2HD PRO 30 HD1 PRO 30 -1.785 -13.732 0.896 888 H ASP 31 HN ASP 31 -4.211 -12.159 -2.171 889 HA ASP 31 HA ASP 31 -4.635 -10.121 -3.999 890 1HB ASP 31 HB2 ASP 31 -6.857 -11.754 -2.759 891 2HB ASP 31 HB1 ASP 31 -6.818 -11.054 -4.369 892 H LEU 32 HN LEU 32 -6.159 -10.648 -0.868 893 HA LEU 32 HA LEU 32 -7.965 -8.477 -1.056 894 1HB LEU 32 HB2 LEU 32 -8.275 -10.529 0.319 895 2HB LEU 32 HB1 LEU 32 -7.013 -9.962 1.392 896 HG LEU 32 HG LEU 32 -8.382 -8.058 2.050 897 1HD1 LEU 32 HD11 LEU 32 -10.463 -9.207 0.198 898 2HD1 LEU 32 HD12 LEU 32 -9.546 -7.727 -0.081 899 3HD1 LEU 32 HD13 LEU 32 -10.674 -7.825 1.273 900 1HD2 LEU 32 HD21 LEU 32 -9.856 -10.690 2.170 901 2HD2 LEU 32 HD22 LEU 32 -10.174 -9.292 3.197 902 3HD2 LEU 32 HD23 LEU 32 -8.624 -10.129 3.302 903 H ALA 33 HN ALA 33 -4.793 -8.895 0.448 904 HA ALA 33 HA ALA 33 -4.741 -6.467 1.864 905 1HB ALA 33 HB1 ALA 33 -2.412 -8.014 0.742 906 2HB ALA 33 HB2 ALA 33 -3.187 -8.306 2.300 907 3HB ALA 33 HB3 ALA 33 -2.337 -6.788 2.007 908 H LEU 34 HN LEU 34 -3.461 -7.297 -1.357 909 HA LEU 34 HA LEU 34 -2.329 -4.799 -1.911 910 1HB LEU 34 HB2 LEU 34 -3.464 -6.834 -3.830 911 2HB LEU 34 HB1 LEU 34 -2.441 -5.486 -4.286 912 HG LEU 34 HG LEU 34 -1.629 -7.793 -2.513 913 1HD1 LEU 34 HD11 LEU 34 -1.882 -8.412 -4.869 914 2HD1 LEU 34 HD12 LEU 34 -0.191 -8.433 -4.367 915 3HD1 LEU 34 HD13 LEU 34 -0.809 -7.088 -5.327 916 1HD2 LEU 34 HD21 LEU 34 0.612 -6.840 -2.641 917 2HD2 LEU 34 HD22 LEU 34 -0.512 -5.712 -1.883 918 3HD2 LEU 34 HD23 LEU 34 -0.013 -5.469 -3.557 919 H MET 35 HN MET 35 -5.567 -6.051 -2.609 920 HA MET 35 HA MET 35 -6.461 -3.822 -4.090 921 1HB MET 35 HB2 MET 35 -7.568 -6.004 -4.165 922 2HB MET 35 HB1 MET 35 -8.047 -5.830 -2.485 923 1HG MET 35 HG2 MET 35 -9.542 -4.067 -3.000 924 2HG MET 35 HG1 MET 35 -8.906 -3.922 -4.637 925 1HE MET 35 HE1 MET 35 -9.570 -7.287 -2.766 926 2HE MET 35 HE2 MET 35 -11.237 -7.644 -3.220 927 3HE MET 35 HE3 MET 35 -10.884 -6.283 -2.155 928 H CYS 36 HN CYS 36 -6.539 -4.528 -0.625 929 HA CYS 36 HA CYS 36 -8.132 -2.219 -0.007 930 1HB CYS 36 HB2 CYS 36 -6.473 -3.975 1.814 931 2HB CYS 36 HB1 CYS 36 -7.667 -2.791 2.338 932 HG CYS 36 HG CYS 36 -8.170 -5.810 0.861 933 H LEU 37 HN LEU 37 -4.684 -3.059 0.327 934 HA LEU 37 HA LEU 37 -3.877 -0.651 1.542 935 1HB LEU 37 HB2 LEU 37 -2.325 -2.609 -0.149 936 2HB LEU 37 HB1 LEU 37 -1.590 -1.259 0.695 937 HG LEU 37 HG LEU 37 -3.073 -3.528 2.026 938 1HD1 LEU 37 HD11 LEU 37 -0.980 -4.264 1.011 939 2HD1 LEU 37 HD12 LEU 37 -0.874 -4.260 2.771 940 3HD1 LEU 37 HD13 LEU 37 -0.118 -2.967 1.840 941 1HD2 LEU 37 HD21 LEU 37 -3.206 -1.460 3.296 942 2HD2 LEU 37 HD22 LEU 37 -1.460 -1.248 3.169 943 3HD2 LEU 37 HD23 LEU 37 -2.121 -2.599 4.090 944 H GLY 38 HN GLY 38 -3.824 -1.649 -1.877 945 1HA GLY 38 HA2 GLY 38 -2.655 0.695 -2.896 946 2HA GLY 38 HA1 GLY 38 -3.651 -0.427 -3.810 947 H ASN 39 HN ASN 39 -5.959 -0.064 -2.081 948 HA ASN 39 HA ASN 39 -7.186 2.129 -3.389 949 1HB ASN 39 HB2 ASN 39 -8.196 -0.033 -2.253 950 2HB ASN 39 HB1 ASN 39 -8.283 1.015 -0.840 951 1HD2 ASN 39 HD21 ASN 39 -9.541 0.305 -3.953 952 2HD2 ASN 39 HD22 ASN 39 -10.859 1.428 -3.914 953 H ALA 40 HN ALA 40 -6.001 1.605 -0.100 954 HA ALA 40 HA ALA 40 -6.663 4.137 0.940 955 1HB ALA 40 HB1 ALA 40 -6.111 2.206 2.351 956 2HB ALA 40 HB2 ALA 40 -5.116 3.607 2.744 957 3HB ALA 40 HB3 ALA 40 -4.439 2.284 1.795 958 H VAL 41 HN VAL 41 -3.762 2.909 -0.673 959 HA VAL 41 HA VAL 41 -2.122 5.159 -0.388 960 HB VAL 41 HB VAL 41 -2.253 3.341 -2.805 961 1HG1 VAL 41 HG11 VAL 41 0.083 3.987 -3.146 962 2HG1 VAL 41 HG12 VAL 41 -0.029 5.096 -1.780 963 3HG1 VAL 41 HG13 VAL 41 -0.997 5.379 -3.225 964 1HG2 VAL 41 HG21 VAL 41 -1.934 2.045 -0.763 965 2HG2 VAL 41 HG22 VAL 41 -0.573 3.076 -0.315 966 3HG2 VAL 41 HG23 VAL 41 -0.472 2.053 -1.750 967 H THR 42 HN THR 42 -4.437 4.315 -2.929 968 HA THR 42 HA THR 42 -3.998 6.582 -4.531 969 HB THR 42 HB THR 42 -6.513 4.919 -4.337 970 HG1 THR 42 HG1 THR 42 -4.822 3.533 -4.788 971 1HG2 THR 42 HG21 THR 42 -6.827 5.576 -6.682 972 2HG2 THR 42 HG22 THR 42 -5.384 6.588 -6.588 973 3HG2 THR 42 HG23 THR 42 -6.804 6.982 -5.618 974 H ASN 43 HN ASN 43 -6.131 5.994 -1.805 975 HA ASN 43 HA ASN 43 -7.727 8.311 -2.016 976 1HB ASN 43 HB2 ASN 43 -8.174 6.325 -0.526 977 2HB ASN 43 HB1 ASN 43 -6.894 6.898 0.534 978 1HD2 ASN 43 HD21 ASN 43 -9.727 6.500 1.064 979 2HD2 ASN 43 HD22 ASN 43 -10.338 8.025 1.611 980 H ILE 44 HN ILE 44 -4.727 7.659 -0.235 981 HA ILE 44 HA ILE 44 -4.467 10.225 0.901 982 HB ILE 44 HB ILE 44 -2.322 8.188 0.278 983 1HG1 ILE 44 HG12 ILE 44 -4.037 7.315 1.776 984 2HG1 ILE 44 HG11 ILE 44 -2.542 7.589 2.662 985 1HG2 ILE 44 HG21 ILE 44 -1.369 10.416 0.593 986 2HG2 ILE 44 HG22 ILE 44 -0.957 9.350 1.936 987 3HG2 ILE 44 HG23 ILE 44 -2.220 10.565 2.132 988 1HD1 ILE 44 HD11 ILE 44 -3.455 9.662 3.566 989 2HD1 ILE 44 HD12 ILE 44 -4.478 8.278 3.954 990 3HD1 ILE 44 HD13 ILE 44 -4.951 9.392 2.673 991 H ILE 45 HN ILE 45 -3.216 8.835 -2.112 992 HA ILE 45 HA ILE 45 -1.559 10.997 -2.826 993 HB ILE 45 HB ILE 45 -2.936 9.010 -4.644 994 1HG1 ILE 45 HG12 ILE 45 -0.148 9.024 -3.465 995 2HG1 ILE 45 HG11 ILE 45 -1.468 7.984 -2.940 996 1HG2 ILE 45 HG21 ILE 45 -1.213 9.589 -6.277 997 2HG2 ILE 45 HG22 ILE 45 -0.566 10.803 -5.175 998 3HG2 ILE 45 HG23 ILE 45 -2.181 11.002 -5.855 999 1HD1 ILE 45 HD11 ILE 45 -1.494 6.899 -5.111 1000 2HD1 ILE 45 HD12 ILE 45 0.110 6.811 -4.382 1001 3HD1 ILE 45 HD13 ILE 45 -0.211 7.969 -5.674 1002 H ALA 46 HN ALA 46 -4.998 10.482 -3.223 1003 HA ALA 46 HA ALA 46 -5.422 12.569 -5.114 1004 1HB ALA 46 HB1 ALA 46 -7.030 10.764 -4.824 1005 2HB ALA 46 HB2 ALA 46 -7.794 12.328 -4.541 1006 3HB ALA 46 HB3 ALA 46 -7.355 11.300 -3.175 1007 H GLN 47 HN GLN 47 -4.694 12.592 -1.807 1008 HA GLN 47 HA GLN 47 -5.922 15.196 -1.323 1009 1HB GLN 47 HB2 GLN 47 -4.259 13.480 0.531 1010 2HB GLN 47 HB1 GLN 47 -5.216 14.884 0.985 1011 1HG GLN 47 HG2 GLN 47 -7.255 13.724 0.407 1012 2HG GLN 47 HG1 GLN 47 -6.334 12.334 -0.160 1013 1HE2 GLN 47 HE21 GLN 47 -7.318 10.935 1.262 1014 2HE2 GLN 47 HE22 GLN 47 -7.004 10.964 2.963 1015 H VAL 48 HN VAL 48 -3.211 14.039 -2.708 1016 HA VAL 48 HA VAL 48 -1.303 15.996 -1.740 1017 HB VAL 48 HB VAL 48 -1.111 14.076 -4.080 1018 1HG1 VAL 48 HG11 VAL 48 0.490 15.900 -4.238 1019 2HG1 VAL 48 HG12 VAL 48 1.307 14.380 -3.875 1020 3HG1 VAL 48 HG13 VAL 48 1.052 15.569 -2.599 1021 1HG2 VAL 48 HG21 VAL 48 -1.453 12.835 -2.031 1022 2HG2 VAL 48 HG22 VAL 48 -0.176 13.749 -1.228 1023 3HG2 VAL 48 HG23 VAL 48 0.221 12.658 -2.557 1024 HA PRO 49 HA PRO 49 -2.473 19.073 -4.792 1025 1HB PRO 49 HB2 PRO 49 0.340 19.960 -4.653 1026 2HB PRO 49 HB1 PRO 49 -1.139 20.858 -4.298 1027 1HG PRO 49 HG2 PRO 49 0.524 20.060 -2.351 1028 2HG PRO 49 HG1 PRO 49 -1.233 20.104 -2.121 1029 1HD PRO 49 HD2 PRO 49 0.553 17.763 -2.654 1030 2HD PRO 49 HD1 PRO 49 -0.850 17.890 -1.571 1031 H GLU 50 HN GLU 50 -2.210 19.454 -6.959 1032 HA GLU 50 HA GLU 50 -1.608 17.191 -8.445 1033 1HB GLU 50 HB2 GLU 50 -3.131 19.200 -8.990 1034 2HB GLU 50 HB1 GLU 50 -1.681 19.933 -9.661 1035 1HG GLU 50 HG2 GLU 50 -2.869 18.909 -11.442 1036 2HG GLU 50 HG1 GLU 50 -1.433 17.934 -11.124 1037 H SER 51 HN SER 51 0.386 19.970 -7.718 1038 HA SER 51 HA SER 51 2.262 19.787 -9.752 1039 1HB SER 51 HB2 SER 51 2.102 21.656 -8.147 1040 2HB SER 51 HB1 SER 51 2.744 20.611 -6.881 1041 HG SER 51 HG SER 51 4.597 21.326 -7.549 1042 H LYS 52 HN LYS 52 2.317 18.168 -6.558 1043 HA LYS 52 HA LYS 52 4.527 16.509 -7.569 1044 1HB LYS 52 HB2 LYS 52 5.010 15.936 -5.248 1045 2HB LYS 52 HB1 LYS 52 5.011 17.680 -5.469 1046 1HG LYS 52 HG2 LYS 52 2.997 17.947 -4.317 1047 2HG LYS 52 HG1 LYS 52 2.574 16.243 -4.482 1048 1HD LYS 52 HD2 LYS 52 3.242 16.716 -2.202 1049 2HD LYS 52 HD1 LYS 52 4.418 15.652 -2.970 1050 1HE LYS 52 HE2 LYS 52 5.845 17.633 -3.411 1051 2HE LYS 52 HE1 LYS 52 4.690 18.621 -2.515 1052 1HZ LYS 52 HZ1 LYS 52 6.533 17.964 -1.106 1053 2HZ LYS 52 HZ2 LYS 52 6.239 16.327 -1.428 1054 3HZ LYS 52 HZ3 LYS 52 5.102 17.234 -0.558 1055 H ARG 53 HN ARG 53 1.266 16.382 -7.377 1056 HA ARG 53 HA ARG 53 0.718 13.954 -6.079 1057 1HB ARG 53 HB2 ARG 53 -0.995 15.628 -6.593 1058 2HB ARG 53 HB1 ARG 53 -0.815 15.299 -8.309 1059 1HG ARG 53 HG2 ARG 53 -1.979 13.348 -8.198 1060 2HG ARG 53 HG1 ARG 53 -1.487 13.020 -6.536 1061 1HD ARG 53 HD2 ARG 53 -3.893 13.555 -6.746 1062 2HD ARG 53 HD1 ARG 53 -3.023 14.671 -5.698 1063 HE ARG 53 HE ARG 53 -3.175 15.632 -8.374 1064 1HH1 ARG 53 HH11 ARG 53 -4.909 15.430 -5.345 1065 2HH1 ARG 53 HH12 ARG 53 -6.015 16.710 -5.739 1066 1HH2 ARG 53 HH21 ARG 53 -4.676 17.273 -8.931 1067 2HH2 ARG 53 HH22 ARG 53 -5.886 17.746 -7.778 1068 H VAL 54 HN VAL 54 1.564 14.637 -9.434 1069 HA VAL 54 HA VAL 54 1.254 11.919 -10.289 1070 HB VAL 54 HB VAL 54 2.849 14.135 -11.599 1071 1HG1 VAL 54 HG11 VAL 54 3.430 11.924 -12.436 1072 2HG1 VAL 54 HG12 VAL 54 2.536 12.834 -13.654 1073 3HG1 VAL 54 HG13 VAL 54 1.727 11.572 -12.725 1074 1HG2 VAL 54 HG21 VAL 54 0.542 14.828 -11.298 1075 2HG2 VAL 54 HG22 VAL 54 -0.026 13.317 -12.009 1076 3HG2 VAL 54 HG23 VAL 54 0.856 14.481 -12.998 1077 H ALA 55 HN ALA 55 3.844 13.901 -9.035 1078 HA ALA 55 HA ALA 55 5.982 12.151 -9.663 1079 1HB ALA 55 HB1 ALA 55 5.842 14.274 -7.528 1080 2HB ALA 55 HB2 ALA 55 6.313 14.534 -9.209 1081 3HB ALA 55 HB3 ALA 55 7.308 13.525 -8.160 1082 H VAL 56 HN VAL 56 4.021 12.607 -6.730 1083 HA VAL 56 HA VAL 56 5.577 10.904 -5.111 1084 HB VAL 56 HB VAL 56 3.650 10.826 -3.563 1085 1HG1 VAL 56 HG11 VAL 56 4.342 13.555 -4.641 1086 2HG1 VAL 56 HG12 VAL 56 5.233 12.651 -3.417 1087 3HG1 VAL 56 HG13 VAL 56 3.606 13.237 -3.071 1088 1HG2 VAL 56 HG21 VAL 56 2.242 12.473 -5.661 1089 2HG2 VAL 56 HG22 VAL 56 1.645 12.131 -4.037 1090 3HG2 VAL 56 HG23 VAL 56 1.838 10.819 -5.202 1091 H VAL 57 HN VAL 57 2.754 10.229 -7.158 1092 HA VAL 57 HA VAL 57 2.501 7.546 -6.238 1093 HB VAL 57 HB VAL 57 0.579 8.618 -7.253 1094 1HG1 VAL 57 HG11 VAL 57 0.461 9.045 -9.663 1095 2HG1 VAL 57 HG12 VAL 57 2.169 8.626 -9.813 1096 3HG1 VAL 57 HG13 VAL 57 1.686 10.043 -8.878 1097 1HG2 VAL 57 HG21 VAL 57 0.689 6.201 -7.357 1098 2HG2 VAL 57 HG22 VAL 57 1.566 6.283 -8.885 1099 3HG2 VAL 57 HG23 VAL 57 -0.106 6.838 -8.797 1100 H ASP 58 HN ASP 58 4.272 9.073 -8.897 1101 HA ASP 58 HA ASP 58 5.054 6.613 -10.098 1102 1HB ASP 58 HB2 ASP 58 5.164 8.784 -11.296 1103 2HB ASP 58 HB1 ASP 58 6.488 9.266 -10.235 1104 H ASN 59 HN ASN 59 6.643 8.794 -7.785 1105 HA ASN 59 HA ASN 59 8.979 7.265 -7.448 1106 1HB ASN 59 HB2 ASN 59 7.568 9.275 -5.723 1107 2HB ASN 59 HB1 ASN 59 8.940 8.376 -5.083 1108 1HD2 ASN 59 HD21 ASN 59 7.888 10.732 -7.412 1109 2HD2 ASN 59 HD22 ASN 59 9.463 11.350 -7.798 1110 H PHE 60 HN PHE 60 5.816 7.097 -5.926 1111 HA PHE 60 HA PHE 60 6.349 5.143 -3.995 1112 1HB PHE 60 HB2 PHE 60 4.239 6.498 -4.225 1113 2HB PHE 60 HB1 PHE 60 3.792 5.466 -5.580 1114 HD1 PHE 60 HD1 PHE 60 4.429 5.523 -1.952 1115 HD2 PHE 60 HD2 PHE 60 2.838 3.344 -5.239 1116 HE1 PHE 60 HE1 PHE 60 3.379 3.942 -0.389 1117 HE2 PHE 60 HE2 PHE 60 1.785 1.758 -3.684 1118 HZ PHE 60 HZ PHE 60 2.055 2.056 -1.255 1119 H THR 61 HN THR 61 5.047 4.780 -7.286 1120 HA THR 61 HA THR 61 5.047 1.972 -7.288 1121 HB THR 61 HB THR 61 4.898 2.181 -9.778 1122 HG1 THR 61 HG1 THR 61 5.981 4.559 -9.348 1123 1HG2 THR 61 HG21 THR 61 2.889 2.222 -8.422 1124 2HG2 THR 61 HG22 THR 61 2.727 3.351 -9.770 1125 3HG2 THR 61 HG23 THR 61 3.079 3.957 -8.151 1126 H LYS 62 HN LYS 62 7.485 4.324 -8.225 1127 HA LYS 62 HA LYS 62 9.331 2.566 -9.413 1128 1HB LYS 62 HB2 LYS 62 9.237 5.181 -9.254 1129 2HB LYS 62 HB1 LYS 62 10.183 4.942 -7.793 1130 1HG LYS 62 HG2 LYS 62 11.885 3.757 -9.120 1131 2HG LYS 62 HG1 LYS 62 10.944 4.083 -10.577 1132 1HD LYS 62 HD2 LYS 62 12.273 6.084 -8.755 1133 2HD LYS 62 HD1 LYS 62 12.659 5.740 -10.441 1134 1HE LYS 62 HE2 LYS 62 10.100 6.967 -9.414 1135 2HE LYS 62 HE1 LYS 62 11.408 7.826 -10.219 1136 1HZ LYS 62 HZ1 LYS 62 9.585 7.358 -11.727 1137 2HZ LYS 62 HZ2 LYS 62 9.728 5.694 -11.436 1138 3HZ LYS 62 HZ3 LYS 62 10.984 6.527 -12.217 1139 H ALA 63 HN ALA 63 9.056 3.759 -6.078 1140 HA ALA 63 HA ALA 63 11.269 2.402 -5.011 1141 1HB ALA 63 HB1 ALA 63 10.305 2.885 -2.836 1142 2HB ALA 63 HB2 ALA 63 8.748 3.242 -3.585 1143 3HB ALA 63 HB3 ALA 63 10.137 4.282 -3.900 1144 H LEU 64 HN LEU 64 7.879 1.464 -5.336 1145 HA LEU 64 HA LEU 64 7.902 -0.907 -3.893 1146 1HB LEU 64 HB2 LEU 64 6.360 -0.035 -6.314 1147 2HB LEU 64 HB1 LEU 64 6.144 -1.637 -5.637 1148 HG LEU 64 HG LEU 64 5.705 0.925 -4.102 1149 1HD1 LEU 64 HD11 LEU 64 3.322 0.438 -4.368 1150 2HD1 LEU 64 HD12 LEU 64 3.719 -0.925 -5.414 1151 3HD1 LEU 64 HD13 LEU 64 4.104 0.720 -5.923 1152 1HD2 LEU 64 HD21 LEU 64 5.032 -1.946 -3.478 1153 2HD2 LEU 64 HD22 LEU 64 4.596 -0.549 -2.494 1154 3HD2 LEU 64 HD23 LEU 64 6.292 -0.985 -2.708 1155 H LYS 65 HN LYS 65 8.516 -0.481 -7.379 1156 HA LYS 65 HA LYS 65 9.007 -3.161 -7.980 1157 1HB LYS 65 HB2 LYS 65 10.227 -0.723 -9.290 1158 2HB LYS 65 HB1 LYS 65 10.185 -2.339 -9.978 1159 1HG LYS 65 HG2 LYS 65 7.721 -2.237 -9.998 1160 2HG LYS 65 HG1 LYS 65 7.809 -0.584 -9.383 1161 1HD LYS 65 HD2 LYS 65 9.146 0.033 -11.386 1162 2HD LYS 65 HD1 LYS 65 8.904 -1.601 -12.005 1163 1HE LYS 65 HE2 LYS 65 6.711 0.371 -11.375 1164 2HE LYS 65 HE1 LYS 65 7.333 0.024 -12.985 1165 1HZ LYS 65 HZ1 LYS 65 5.286 -1.182 -12.528 1166 2HZ LYS 65 HZ2 LYS 65 6.005 -1.940 -11.198 1167 3HZ LYS 65 HZ3 LYS 65 6.574 -2.259 -12.761 1168 H GLN 66 HN GLN 66 11.226 -0.634 -6.890 1169 HA GLN 66 HA GLN 66 13.587 -2.189 -7.200 1170 1HB GLN 66 HB2 GLN 66 13.079 0.238 -5.469 1171 2HB GLN 66 HB1 GLN 66 14.662 -0.436 -5.826 1172 1HG GLN 66 HG2 GLN 66 12.748 0.729 -7.833 1173 2HG GLN 66 HG1 GLN 66 14.186 1.519 -7.193 1174 1HE2 GLN 66 HE21 GLN 66 12.957 -0.884 -9.350 1175 2HE2 GLN 66 HE22 GLN 66 14.442 -1.211 -10.175 1176 H SER 67 HN SER 67 11.272 -1.787 -4.604 1177 HA SER 67 HA SER 67 12.968 -2.979 -2.615 1178 1HB SER 67 HB2 SER 67 10.014 -2.327 -2.541 1179 2HB SER 67 HB1 SER 67 10.993 -2.807 -1.153 1180 HG SER 67 HG SER 67 10.975 -0.410 -2.594 1181 H VAL 68 HN VAL 68 10.642 -4.128 -4.908 1182 HA VAL 68 HA VAL 68 10.372 -6.704 -3.609 1183 HB VAL 68 HB VAL 68 9.434 -5.759 -6.324 1184 1HG1 VAL 68 HG11 VAL 68 8.043 -7.774 -6.351 1185 2HG1 VAL 68 HG12 VAL 68 8.782 -8.304 -4.840 1186 3HG1 VAL 68 HG13 VAL 68 9.758 -8.178 -6.303 1187 1HG2 VAL 68 HG21 VAL 68 8.362 -4.632 -4.421 1188 2HG2 VAL 68 HG22 VAL 68 7.899 -6.203 -3.765 1189 3HG2 VAL 68 HG23 VAL 68 7.234 -5.658 -5.305 1190 H LEU 69 HN LEU 69 12.030 -5.315 -6.397 1191 HA LEU 69 HA LEU 69 13.095 -7.731 -7.395 1192 1HB LEU 69 HB2 LEU 69 12.895 -5.416 -8.518 1193 2HB LEU 69 HB1 LEU 69 14.392 -5.032 -7.695 1194 HG LEU 69 HG LEU 69 14.159 -7.388 -9.560 1195 1HD1 LEU 69 HD11 LEU 69 14.993 -4.566 -10.218 1196 2HD1 LEU 69 HD12 LEU 69 13.534 -5.375 -10.789 1197 3HD1 LEU 69 HD13 LEU 69 15.120 -5.958 -11.293 1198 1HD2 LEU 69 HD21 LEU 69 16.579 -7.135 -9.707 1199 2HD2 LEU 69 HD22 LEU 69 16.073 -7.370 -8.034 1200 3HD2 LEU 69 HD23 LEU 69 16.512 -5.760 -8.605 1201 H GLU 70 HN GLU 70 14.643 -5.145 -5.487 1202 HA GLU 70 HA GLU 70 16.942 -6.796 -4.963 1203 1HB GLU 70 HB2 GLU 70 16.132 -4.043 -4.054 1204 2HB GLU 70 HB1 GLU 70 17.603 -4.827 -3.496 1205 1HG GLU 70 HG2 GLU 70 16.956 -4.319 -6.386 1206 2HG GLU 70 HG1 GLU 70 17.924 -3.240 -5.379 1207 H HIS 71 HN HIS 71 14.601 -5.179 -2.900 1208 HA HIS 71 HA HIS 71 13.711 -5.618 -0.874 1209 1HB HIS 71 HB2 HIS 71 13.035 -7.769 -1.898 1210 2HB HIS 71 HB1 HIS 71 14.550 -8.486 -1.358 1211 HD1 HIS 71 HD1 HIS 71 11.184 -7.449 -0.158 1212 HD2 HIS 71 HD2 HIS 71 14.697 -8.992 1.437 1213 HE1 HIS 71 HE1 HIS 71 10.600 -8.188 2.173 1214 HE2 HIS 71 HE2 HIS 71 12.774 -8.992 3.169 1215 H HIS 72 HN HIS 72 16.502 -7.819 -0.966 1216 HA HIS 72 HA HIS 72 17.034 -7.612 1.778 1217 1HB HIS 72 HB2 HIS 72 17.752 -9.510 0.410 1218 2HB HIS 72 HB1 HIS 72 18.863 -8.471 -0.473 1219 HD1 HIS 72 HD1 HIS 72 21.186 -8.839 0.255 1220 HD2 HIS 72 HD2 HIS 72 18.489 -9.285 3.397 1221 HE1 HIS 72 HE1 HIS 72 22.576 -9.382 2.283 1222 HE2 HIS 72 HE2 HIS 72 20.939 -9.499 4.199 1223 H HIS 73 HN HIS 73 17.339 -5.648 2.593 1224 HA HIS 73 HA HIS 73 18.334 -3.676 3.141 1225 1HB HIS 73 HB2 HIS 73 19.894 -5.367 4.038 1226 2HB HIS 73 HB1 HIS 73 20.815 -5.305 2.540 1227 HD1 HIS 73 HD1 HIS 73 20.239 -3.476 5.741 1228 HD2 HIS 73 HD2 HIS 73 22.441 -3.020 2.238 1229 HE1 HIS 73 HE1 HIS 73 21.883 -1.629 6.203 1230 HE2 HIS 73 HE2 HIS 73 23.243 -1.404 4.088 1231 H HIS 74 HN HIS 74 17.534 -2.466 1.311 1232 HA HIS 74 HA HIS 74 19.761 -1.663 -0.428 1233 1HB HIS 74 HB2 HIS 74 18.365 -1.407 -2.333 1234 2HB HIS 74 HB1 HIS 74 17.994 -2.988 -1.670 1235 HD1 HIS 74 HD1 HIS 74 16.415 0.001 -2.906 1236 HD2 HIS 74 HD2 HIS 74 15.476 -2.884 -0.046 1237 HE1 HIS 74 HE1 HIS 74 13.936 0.186 -2.537 1238 HE2 HIS 74 HE2 HIS 74 13.409 -1.472 -0.719 1239 H HIS 75 HN HIS 75 20.393 0.265 0.101 1240 HA HIS 75 HA HIS 75 18.746 2.550 0.058 1241 1HB HIS 75 HB2 HIS 75 18.071 1.542 2.304 1242 2HB HIS 75 HB1 HIS 75 19.718 1.852 2.841 1243 HD1 HIS 75 HD1 HIS 75 20.396 4.364 3.214 1244 HD2 HIS 75 HD2 HIS 75 16.410 3.765 2.165 1245 HE1 HIS 75 HE1 HIS 75 19.226 6.533 3.710 1246 HE2 HIS 75 HE2 HIS 75 16.846 6.192 2.957 1247 H HIS 76 HN HIS 76 20.085 4.150 -0.545 1248 HA HIS 76 HA HIS 76 22.798 4.126 0.529 1249 1HB HIS 76 HB2 HIS 76 23.841 4.497 -1.618 1250 2HB HIS 76 HB1 HIS 76 22.897 3.019 -1.685 1251 HD1 HIS 76 HD1 HIS 76 23.658 5.866 -3.613 1252 HD2 HIS 76 HD2 HIS 76 20.195 3.654 -2.971 1253 HE1 HIS 76 HE1 HIS 76 22.140 6.405 -5.546 1254 HE2 HIS 76 HE2 HIS 76 20.003 5.151 -5.083