*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JUN-09 2KL6 *TITLE SOLUTION NMR STRUCTURE OF THE CARDB DOMAIN OF PF1109 FROM *TITLE 2 PYROCOCCUS FURIOSUS. NORTHEAST STRUCTURAL GENOMICS *TITLE 3 CONSORTIUM TARGET PFR193A *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 436-540; *COMPND 5 ENGINEERED: YES; *COMPND 6 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; *SOURCE 3 ORGANISM_TAXID: 2261; *SOURCE 4 GENE: PF1109; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MGK; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PFR193A-436-540-21.36 *KEYWDS SOLUTION NMR STRUCTURE, CARDB DOMAIN, PFAM 07705, NESG, PSI- *KEYWDS 2 2, STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE, *KEYWDS 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, UNKNOWN FUNCTION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.M.ARAMINI, D.LEE, C.CICCOSANTI, K.HAMILTON, R.NAIR, *AUTHOR 2 B.ROST, T.B.ACTON, R.XIAO, G.V.T.SWAPNA, J.K.EVERETT, *AUTHOR 3 G.T.MONTELIONE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM *AUTHOR 4 (NESG) *REVDAT 1 25-AUG-09 2KL6 0 ! Final combined constraints used in the CNS refinement of PfR193A 06-29-2009 ! Distance constraints; sum averaging assign (resid 8 and name HN ) (resid 8 and name HB ) 4.15 2.35 0.42 assign (resid 10 and name HN ) (resid 10 and name HB ) 3.38 1.58 0.34 assign (resid 10 and name HN ) (resid 10 and name HG11 ) 3.73 1.93 0.37 assign (resid 15 and name HN ) (resid 15 and name HB ) 3.16 1.36 0.32 assign (resid 16 and name HN ) (resid 16 and name HB ) 3.94 2.14 0.39 assign (resid 18 and name HN ) (resid 18 and name HB ) 2.99 1.19 0.30 assign (resid 22 and name HN ) (resid 22 and name HB* ) 3.32 1.52 0.33 assign (resid 26 and name HN ) (resid 26 and name HB ) 3.52 1.72 0.35 assign (resid 34 and name HN ) (resid 34 and name HB ) 3.49 1.69 0.35 assign (resid 36 and name HN ) (resid 36 and name HB ) 3.44 1.64 0.34 assign (resid 39 and name HN ) (resid 39 and name HB ) 4.05 2.25 0.41 assign (resid 41 and name HN ) (resid 41 and name HB ) 3.69 1.89 0.37 assign (resid 43 and name HN ) (resid 43 and name HB ) 3.42 1.62 0.34 assign (resid 45 and name HN ) (resid 45 and name HB ) 3.51 1.71 0.35 assign (resid 48 and name HN ) (resid 48 and name HB ) 3.05 1.25 0.31 assign (resid 54 and name HN ) (resid 54 and name HB ) 3.25 1.45 0.33 assign (resid 55 and name HN ) (resid 55 and name HB ) 4.14 2.34 0.41 assign (resid 64 and name HN ) (resid 64 and name HB ) 3.13 1.33 0.31 assign (resid 66 and name HN ) (resid 66 and name HB ) 3.78 1.98 0.38 assign (resid 72 and name HN ) (resid 72 and name HB ) 3.85 2.05 0.38 assign (resid 79 and name HN ) (resid 79 and name HB ) 3.69 1.89 0.37 assign (resid 81 and name HN ) (resid 81 and name HB* ) 3.34 1.54 0.33 assign (resid 83 and name HN ) (resid 83 and name HB ) 4.11 2.31 0.41 assign (resid 89 and name HN ) (resid 89 and name HB ) 3.47 1.67 0.35 assign (resid 90 and name HN ) (resid 90 and name HB ) 3.20 1.40 0.32 assign (resid 98 and name HN ) (resid 98 and name HB ) 3.29 1.49 0.33 assign (resid 99 and name HN ) (resid 99 and name HB* ) 3.34 1.54 0.33 assign (resid 100 and name HN ) (resid 100 and name HB ) 3.52 1.72 0.35 assign (resid 103 and name HN ) (resid 103 and name HB ) 3.65 1.85 0.37 assign (resid 105 and name HN ) (resid 105 and name HB ) 3.55 1.75 0.35 assign (resid 3 and name HN ) (resid 3 and name HB1 ) 3.97 2.17 0.40 assign (resid 6 and name HN ) (resid 6 and name HB2 ) 3.46 1.66 0.35 assign (resid 9 and name HN ) (resid 9 and name HB2 ) 3.66 1.86 0.37 assign (resid 11 and name HN ) (resid 11 and name HB1 ) 4.13 2.33 0.41 assign (resid 14 and name HN ) (resid 14 and name HB2 ) 3.80 2.00 0.38 assign (resid 19 and name HN ) (resid 19 and name HB2 ) 4.15 2.35 0.42 assign (resid 20 and name HN ) (resid 20 and name HB2 ) 3.39 1.59 0.34 assign (resid 21 and name HN ) (resid 21 and name HB1 ) 2.97 1.17 0.30 assign (resid 23 and name HN ) (resid 23 and name HB1 ) 3.54 1.74 0.35 assign (resid 24 and name HN ) (resid 24 and name HB1 ) 3.95 2.15 0.40 assign (resid 25 and name HN ) (resid 25 and name HB2 ) 3.59 1.79 0.36 assign (resid 27 and name HN ) (resid 27 and name HB2 ) 4.11 2.31 0.41 assign (resid 29 and name HN ) (resid 29 and name HB2 ) 3.91 2.11 0.39 assign (resid 30 and name HN ) (resid 30 and name HB2 ) 3.71 1.91 0.37 assign (resid 40 and name HN ) (resid 40 and name HB1 ) 4.01 2.21 0.40 assign (resid 44 and name HN ) (resid 44 and name HB2 ) 4.04 2.24 0.40 assign (resid 49 and name HN ) (resid 49 and name HB2 ) 3.59 1.79 0.36 assign (resid 50 and name HN ) (resid 50 and name HB2 ) 4.07 2.27 0.41 assign (resid 51 and name HN ) (resid 51 and name HB1 ) 3.80 2.00 0.38 assign (resid 52 and name HN ) (resid 52 and name HB* ) 3.64 1.84 0.36 assign (resid 53 and name HN ) (resid 53 and name HB1 ) 4.08 2.28 0.41 assign (resid 57 and name HN ) (resid 57 and name HB2 ) 3.91 2.11 0.39 assign (resid 60 and name HN ) (resid 60 and name HB2 ) 4.19 2.39 0.42 assign (resid 61 and name HN ) (resid 61 and name HB1 ) 3.27 1.47 0.33 assign (resid 65 and name HN ) (resid 65 and name HB2 ) 3.80 2.00 0.38 assign (resid 73 and name HN ) (resid 73 and name HB2 ) 3.67 1.87 0.37 assign (resid 74 and name HN ) (resid 74 and name HB1 ) 3.21 1.41 0.32 assign (resid 76 and name HN ) (resid 76 and name HB2 ) 3.45 1.65 0.34 assign (resid 77 and name HN ) (resid 77 and name HB2 ) 4.12 2.32 0.41 assign (resid 78 and name HN ) (resid 78 and name HB2 ) 3.88 2.08 0.39 assign (resid 80 and name HN ) (resid 80 and name HB1 ) 4.07 2.27 0.41 assign (resid 85 and name HN ) (resid 85 and name HB1 ) 3.75 1.95 0.38 assign (resid 86 and name HN ) (resid 86 and name HB2 ) 3.80 2.00 0.38 assign (resid 91 and name HN ) (resid 91 and name HB2 ) 3.82 2.02 0.38 assign (resid 93 and name HN ) (resid 93 and name HB2 ) 3.71 1.91 0.37 assign (resid 95 and name HN ) (resid 95 and name HB2 ) 3.82 2.02 0.38 assign (resid 97 and name HN ) (resid 97 and name HB2 ) 3.81 2.01 0.38 assign (resid 101 and name HN ) (resid 101 and name HB1 ) 3.95 2.15 0.40 assign (resid 102 and name HN ) (resid 102 and name HB2 ) 3.86 2.06 0.39 assign (resid 104 and name HN ) (resid 104 and name HB2 ) 3.50 1.70 0.35 assign (resid 107 and name HN ) (resid 107 and name HB* ) 2.87 1.07 0.29 assign (resid 108 and name HN ) (resid 108 and name HB* ) 3.09 1.29 0.31 assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.54 1.74 0.35 assign (resid 6 and name HN ) (resid 6 and name HB1 ) 3.82 2.02 0.38 assign (resid 11 and name HN ) (resid 11 and name HB2 ) 3.68 1.88 0.37 assign (resid 14 and name HN ) (resid 14 and name HB1 ) 3.80 2.00 0.38 assign (resid 19 and name HN ) (resid 19 and name HB1 ) 4.19 2.39 0.42 assign (resid 21 and name HN ) (resid 21 and name HB2 ) 3.23 1.43 0.32 assign (resid 23 and name HN ) (resid 23 and name HB2 ) 3.23 1.43 0.32 assign (resid 24 and name HN ) (resid 24 and name HB2 ) 3.79 1.99 0.38 assign (resid 25 and name HN ) (resid 25 and name HB1 ) 3.91 2.11 0.39 assign (resid 27 and name HN ) (resid 27 and name HB1 ) 4.11 2.31 0.41 assign (resid 29 and name HN ) (resid 29 and name HB1 ) 3.67 1.87 0.37 assign (resid 30 and name HN ) (resid 30 and name HB1 ) 3.78 1.98 0.38 assign (resid 31 and name HN ) (resid 31 and name HB* ) 3.45 1.65 0.34 assign (resid 38 and name HN ) (resid 38 and name HB2 ) 3.94 2.14 0.39 assign (resid 40 and name HN ) (resid 40 and name HB2 ) 3.82 2.02 0.38 assign (resid 42 and name HN ) (resid 81 and name HB* ) 4.67 2.87 0.47 assign (resid 48 and name HG2* ) (resid 49 and name HN ) 3.36 1.56 0.34 assign (resid 49 and name HN ) (resid 49 and name HB1 ) 3.59 1.79 0.36 assign (resid 50 and name HN ) (resid 50 and name HB1 ) 4.07 2.27 0.41 assign (resid 51 and name HN ) (resid 51 and name HB2 ) 4.10 2.30 0.41 assign (resid 53 and name HN ) (resid 53 and name HB2 ) 3.86 2.06 0.39 assign (resid 60 and name HN ) (resid 60 and name HB1 ) 4.19 2.39 0.42 assign (resid 61 and name HN ) (resid 61 and name HB2 ) 3.26 1.46 0.33 assign (resid 62 and name HN ) (resid 62 and name HB2 ) 3.65 1.85 0.37 assign (resid 73 and name HN ) (resid 73 and name HB1 ) 3.67 1.87 0.37 assign (resid 74 and name HN ) (resid 74 and name HB2 ) 3.65 1.85 0.37 assign (resid 76 and name HN ) (resid 76 and name HB1 ) 3.45 1.65 0.34 assign (resid 77 and name HN ) (resid 77 and name HB1 ) 4.12 2.32 0.41 assign (resid 78 and name HN ) (resid 78 and name HB1 ) 3.88 2.08 0.39 assign (resid 80 and name HN ) (resid 80 and name HB2 ) 3.85 2.05 0.38 assign (resid 85 and name HN ) (resid 85 and name HB2 ) 3.66 1.86 0.37 assign (resid 86 and name HN ) (resid 86 and name HB1 ) 3.80 2.00 0.38 assign (resid 91 and name HN ) (resid 91 and name HB1 ) 3.82 2.02 0.38 assign (resid 93 and name HN ) (resid 93 and name HB1 ) 3.71 1.91 0.37 assign (resid 95 and name HN ) (resid 95 and name HB1 ) 3.82 2.02 0.38 assign (resid 97 and name HN ) (resid 97 and name HB1 ) 3.81 2.01 0.38 assign (resid 101 and name HN ) (resid 101 and name HB2 ) 4.07 2.27 0.41 assign (resid 102 and name HN ) (resid 102 and name HB1 ) 3.86 2.06 0.39 assign (resid 104 and name HN ) (resid 104 and name HB1 ) 3.50 1.70 0.35 assign (resid 7 and name HN ) (resid 8 and name HN ) 4.58 2.78 0.46 assign (resid 8 and name HN ) (resid 9 and name HN ) 4.49 2.69 0.45 assign (resid 15 and name HN ) (resid 16 and name HN ) 4.48 2.68 0.45 assign (resid 16 and name HN ) (resid 17 and name HN ) 4.83 3.03 0.48 assign (resid 18 and name HN ) (resid 106 and name HN ) 3.91 2.11 0.39 assign (resid 18 and name HN ) (resid 19 and name HN ) 4.82 3.02 0.48 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.51 1.71 0.35 assign (resid 22 and name HN ) (resid 23 and name HN ) 4.53 2.73 0.45 assign (resid 23 and name HN ) (resid 24 and name HN ) 4.51 2.71 0.45 assign (resid 25 and name HN ) (resid 26 and name HN ) 4.55 2.75 0.46 assign (resid 27 and name HN ) (resid 28 and name HN ) 4.44 2.64 0.44 assign (resid 28 and name HN ) (resid 29 and name HN ) 4.43 2.63 0.44 assign (resid 30 and name HN ) (resid 31 and name HN ) 4.75 2.95 0.47 assign (resid 31 and name HN ) (resid 32 and name HN ) 3.40 1.60 0.34 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.55 1.75 0.35 assign (resid 39 and name HN ) (resid 40 and name HN ) 4.44 2.64 0.44 assign (resid 42 and name HN ) (resid 82 and name HN ) 3.71 1.91 0.37 assign (resid 44 and name HN ) (resid 45 and name HN ) 5.25 3.45 0.53 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.98 2.18 0.40 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.75 1.95 0.38 assign (resid 48 and name HN ) (resid 49 and name HN ) 4.92 3.12 0.49 assign (resid 50 and name HN ) (resid 51 and name HN ) 3.32 1.52 0.33 assign (resid 52 and name HN ) (resid 53 and name HN ) 4.44 2.64 0.44 assign (resid 53 and name HN ) (resid 54 and name HN ) 4.51 2.71 0.45 assign (resid 54 and name HN ) (resid 55 and name HN ) 4.40 2.60 0.44 assign (resid 55 and name HN ) (resid 56 and name HN ) 4.47 2.67 0.45 assign (resid 57 and name HN ) (resid 58 and name HN ) 4.81 3.01 0.48 assign (resid 60 and name HN ) (resid 61 and name HN ) 3.58 1.78 0.36 assign (resid 61 and name HN ) (resid 62 and name HN ) 4.73 2.93 0.47 assign (resid 62 and name HN ) (resid 63 and name HN ) 5.07 3.27 0.51 assign (resid 104 and name HN ) (resid 105 and name HN ) 4.96 3.16 0.50 assign (resid 72 and name HN ) (resid 73 and name HN ) 3.15 1.35 0.32 assign (resid 74 and name HN ) (resid 75 and name HN ) 4.80 3.00 0.48 assign (resid 76 and name HN ) (resid 77 and name HN ) 4.64 2.84 0.46 assign (resid 46 and name HN ) (resid 78 and name HN ) 4.24 2.44 0.42 assign (resid 44 and name HN ) (resid 80 and name HN ) 3.69 1.89 0.37 assign (resid 82 and name HN ) (resid 83 and name HN ) 4.79 2.99 0.48 assign (resid 84 and name HN ) (resid 85 and name HN ) 4.06 2.26 0.41 assign (resid 86 and name HN ) (resid 87 and name HN ) 3.70 1.90 0.37 assign (resid 90 and name HN ) (resid 91 and name HN ) 4.60 2.80 0.46 assign (resid 91 and name HN ) (resid 92 and name HN ) 4.65 2.85 0.47 assign (resid 92 and name HN ) (resid 93 and name HN ) 3.41 1.61 0.34 assign (resid 99 and name HN ) (resid 100 and name HN ) 4.65 2.85 0.47 assign (resid 100 and name HN ) (resid 101 and name HN ) 4.63 2.83 0.46 assign (resid 101 and name HN ) (resid 102 and name HN ) 4.53 2.73 0.45 assign (resid 103 and name HN ) (resid 104 and name HN ) 4.42 2.62 0.44 assign (resid 107 and name HN ) (resid 108 and name HN ) 3.69 1.89 0.37 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.80 1.00 0.28 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.12 1.32 0.31 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.23 1.43 0.32 assign (resid 6 and name HA ) (resid 7 and name HN ) 3.00 1.20 0.30 assign (resid 7 and name HA ) (resid 8 and name HN ) 3.03 1.23 0.30 assign (resid 8 and name HA ) (resid 9 and name HN ) 2.86 1.06 0.29 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.89 1.09 0.29 assign (resid 10 and name HA ) (resid 11 and name HN ) 2.88 1.08 0.29 assign (resid 11 and name HA ) (resid 12 and name HN ) 2.77 0.97 0.28 assign (resid 13 and name HA ) (resid 14 and name HN ) 2.85 1.05 0.28 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.90 1.10 0.29 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.00 1.20 0.30 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.11 1.31 0.31 assign (resid 20 and name HN ) (resid 71 and name HD2 ) 4.15 2.35 0.42 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.92 1.12 0.29 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.02 1.22 0.30 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.77 0.97 0.28 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.05 1.25 0.31 assign (resid 24 and name HA ) (resid 25 and name HN ) 3.08 1.28 0.31 assign (resid 25 and name HA ) (resid 26 and name HN ) 3.09 1.29 0.31 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.08 1.28 0.31 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.00 1.20 0.30 assign (resid 28 and name HA ) (resid 29 and name HN ) 2.89 1.09 0.29 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.02 1.22 0.30 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.15 1.35 0.32 assign (resid 34 and name HA ) (resid 35 and name HN ) 3.08 1.28 0.31 assign (resid 39 and name HN ) (resid 39 and name HA ) 2.94 1.14 0.29 assign (resid 39 and name HA ) (resid 40 and name HN ) 2.99 1.19 0.30 assign (resid 40 and name HA ) (resid 41 and name HN ) 3.04 1.24 0.30 assign (resid 41 and name HA ) (resid 42 and name HN ) 3.11 1.31 0.31 assign (resid 42 and name HA ) (resid 43 and name HN ) 3.08 1.28 0.31 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.11 1.31 0.31 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.16 1.36 0.32 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.28 1.48 0.33 assign (resid 48 and name HA ) (resid 49 and name HN ) 3.15 1.35 0.32 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.54 1.74 0.35 assign (resid 51 and name HA ) (resid 52 and name HN ) 2.77 0.97 0.28 assign (resid 52 and name HA ) (resid 53 and name HN ) 3.04 1.24 0.30 assign (resid 53 and name HA ) (resid 54 and name HN ) 2.91 1.11 0.29 assign (resid 54 and name HA ) (resid 55 and name HN ) 2.92 1.12 0.29 assign (resid 55 and name HA ) (resid 56 and name HN ) 2.92 1.12 0.29 assign (resid 56 and name HA ) (resid 57 and name HN ) 3.01 1.21 0.30 assign (resid 57 and name HA ) (resid 58 and name HN ) 3.24 1.44 0.32 assign (resid 59 and name HA ) (resid 60 and name HN ) 3.09 1.29 0.31 assign (resid 60 and name HA ) (resid 61 and name HN ) 3.41 1.61 0.34 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.88 1.08 0.29 assign (resid 62 and name HA ) (resid 63 and name HN ) 3.02 1.22 0.30 assign (resid 63 and name HA ) (resid 64 and name HN ) 2.81 1.01 0.28 assign (resid 103 and name HA ) (resid 104 and name HN ) 3.00 1.20 0.30 assign (resid 64 and name HA ) (resid 65 and name HN ) 3.09 1.29 0.31 assign (resid 65 and name HA ) (resid 66 and name HN ) 2.84 1.04 0.28 assign (resid 66 and name HA ) (resid 67 and name HN ) 2.91 1.11 0.29 assign (resid 67 and name HA ) (resid 68 and name HN ) 3.03 1.23 0.30 assign (resid 68 and name HA ) (resid 69 and name HN ) 3.26 1.46 0.33 assign (resid 71 and name HA ) (resid 72 and name HN ) 3.13 1.33 0.31 assign (resid 73 and name HA ) (resid 74 and name HN ) 3.00 1.20 0.30 assign (resid 74 and name HA ) (resid 75 and name HN ) 3.06 1.26 0.31 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.07 1.27 0.31 assign (resid 77 and name HA ) (resid 78 and name HN ) 2.96 1.16 0.30 assign (resid 78 and name HA ) (resid 79 and name HN ) 3.19 1.39 0.32 assign (resid 79 and name HA ) (resid 80 and name HN ) 3.00 1.20 0.30 assign (resid 80 and name HA ) (resid 81 and name HN ) 2.97 1.17 0.30 assign (resid 81 and name HA ) (resid 82 and name HN ) 2.99 1.19 0.30 assign (resid 82 and name HA ) (resid 83 and name HN ) 3.06 1.26 0.31 assign (resid 83 and name HA ) (resid 84 and name HN ) 3.38 1.58 0.34 assign (resid 84 and name HA ) (resid 85 and name HN ) 3.29 1.49 0.33 assign (resid 85 and name HA ) (resid 87 and name HN ) 4.48 2.68 0.45 assign (resid 89 and name HA ) (resid 90 and name HN ) 2.98 1.18 0.30 assign (resid 90 and name HA ) (resid 91 and name HN ) 2.93 1.13 0.29 assign (resid 91 and name HA ) (resid 92 and name HN ) 3.44 1.64 0.34 assign (resid 98 and name HA ) (resid 99 and name HN ) 2.89 1.09 0.29 assign (resid 99 and name HA ) (resid 100 and name HN ) 2.68 0.88 0.27 assign (resid 100 and name HA ) (resid 101 and name HN ) 3.01 1.21 0.30 assign (resid 101 and name HA ) (resid 102 and name HN ) 2.82 1.02 0.28 assign (resid 102 and name HA ) (resid 103 and name HN ) 2.98 1.18 0.30 assign (resid 104 and name HA ) (resid 105 and name HN ) 2.99 1.19 0.30 assign (resid 105 and name HA ) (resid 106 and name HN ) 2.97 1.17 0.30 assign (resid 106 and name HA ) (resid 107 and name HN ) 2.88 1.08 0.29 assign (resid 6 and name HN ) (resid 6 and name HG ) 3.45 1.65 0.34 assign (resid 31 and name HN ) (resid 31 and name HG ) 3.37 1.57 0.34 assign (resid 49 and name HN ) (resid 49 and name HG ) 4.51 2.71 0.45 assign (resid 57 and name HN ) (resid 57 and name HG ) 3.46 1.66 0.35 assign (resid 65 and name HN ) (resid 65 and name HG ) 3.54 1.74 0.35 assign (resid 92 and name HN ) (resid 92 and name HB* ) 3.51 1.71 0.35 assign (resid 92 and name HN ) (resid 92 and name HG ) 3.65 1.85 0.37 assign (resid 107 and name HN ) (resid 107 and name HG ) 3.26 1.46 0.33 assign (resid 7 and name HN ) (resid 7 and name HG2* ) 3.44 1.64 0.34 assign (resid 8 and name HN ) (resid 8 and name HG2* ) 3.18 1.38 0.32 assign (resid 10 and name HN ) (resid 10 and name HG2* ) 3.95 2.15 0.40 assign (resid 15 and name HN ) (resid 15 and name HG2* ) 3.37 1.57 0.34 assign (resid 16 and name HN ) (resid 16 and name HG2* ) 3.46 1.66 0.35 assign (resid 23 and name HN ) (resid 23 and name HG1 ) 3.77 1.97 0.38 assign (resid 28 and name HN ) (resid 28 and name HG2* ) 3.13 1.33 0.31 assign (resid 34 and name HN ) (resid 34 and name HG2* ) 3.51 1.71 0.35 assign (resid 39 and name HN ) (resid 39 and name HG2* ) 3.80 2.00 0.38 assign (resid 40 and name HN ) (resid 40 and name HG1 ) 3.91 2.11 0.39 assign (resid 41 and name HN ) (resid 41 and name HG2* ) 3.41 1.61 0.34 assign (resid 43 and name HN ) (resid 43 and name HG2* ) 3.66 1.86 0.37 assign (resid 45 and name HN ) (resid 45 and name HG2* ) 4.09 2.29 0.41 assign (resid 48 and name HN ) (resid 48 and name HG2* ) 4.06 2.26 0.41 assign (resid 60 and name HN ) (resid 60 and name HG2 ) 4.45 2.65 0.44 assign (resid 30 and name HB1 ) (resid 61 and name HN ) 3.84 2.04 0.38 assign (resid 64 and name HN ) (resid 64 and name HG2* ) 3.26 1.46 0.33 assign (resid 66 and name HN ) (resid 66 and name HG2* ) 3.51 1.71 0.35 assign (resid 70 and name HN ) (resid 70 and name HG2* ) 4.31 2.51 0.43 assign (resid 72 and name HN ) (resid 72 and name HG2* ) 3.44 1.64 0.34 assign (resid 73 and name HN ) (resid 73 and name HG2 ) 4.71 2.91 0.47 assign (resid 74 and name HN ) (resid 74 and name HG2 ) 3.85 2.05 0.38 assign (resid 78 and name HN ) (resid 78 and name HG2 ) 4.78 2.98 0.48 assign (resid 79 and name HN ) (resid 79 and name HG2* ) 4.24 2.44 0.42 assign (resid 81 and name HB* ) (resid 82 and name HN ) 3.25 1.45 0.33 assign (resid 83 and name HN ) (resid 83 and name HG2* ) 4.12 2.32 0.41 assign (resid 85 and name HN ) (resid 85 and name HG* ) 3.73 1.93 0.37 assign (resid 86 and name HN ) (resid 86 and name HG2 ) 4.00 2.20 0.40 assign (resid 88 and name HN ) (resid 88 and name HG2* ) 3.79 1.99 0.38 assign (resid 89 and name HN ) (resid 89 and name HG2* ) 4.17 2.37 0.42 assign (resid 91 and name HN ) (resid 91 and name HG2 ) 4.26 2.46 0.43 assign (resid 98 and name HN ) (resid 98 and name HG2* ) 3.25 1.45 0.33 assign (resid 103 and name HN ) (resid 103 and name HG2* ) 3.60 1.80 0.36 assign (resid 105 and name HN ) (resid 105 and name HG2* ) 3.40 1.60 0.34 assign (resid 106 and name HN ) (resid 106 and name HG2* ) 3.13 1.33 0.31 assign (resid 106 and name HB ) (resid 108 and name HN ) 3.68 1.88 0.37 assign (resid 11 and name HN ) (resid 11 and name HG1 ) 4.92 3.12 0.49 assign (resid 20 and name HN ) (resid 20 and name HG2 ) 3.57 1.77 0.36 assign (resid 13 and name HG1 ) (resid 23 and name HN ) 4.06 2.26 0.41 assign (resid 25 and name HN ) (resid 25 and name HG1 ) 4.46 2.66 0.45 assign (resid 29 and name HN ) (resid 29 and name HG1 ) 3.81 2.01 0.38 assign (resid 40 and name HN ) (resid 40 and name HG2 ) 4.14 2.34 0.41 assign (resid 49 and name HD1* ) (resid 51 and name HN ) 3.36 1.56 0.34 assign (resid 60 and name HN ) (resid 60 and name HG1 ) 4.45 2.65 0.44 assign (resid 61 and name HN ) (resid 61 and name HG1 ) 4.80 3.00 0.48 assign (resid 62 and name HN ) (resid 62 and name HB1 ) 3.31 1.51 0.33 assign (resid 63 and name HN ) (resid 63 and name HB2 ) 3.52 1.72 0.35 assign (resid 74 and name HN ) (resid 74 and name HG1 ) 3.85 2.05 0.38 assign (resid 76 and name HN ) (resid 76 and name HG1 ) 4.71 2.91 0.47 assign (resid 78 and name HN ) (resid 78 and name HG1 ) 4.78 2.98 0.48 assign (resid 91 and name HN ) (resid 91 and name HG1 ) 4.26 2.46 0.43 assign (resid 108 and name HN ) (resid 108 and name HG1 ) 3.97 2.17 0.40 assign (resid 3 and name HN ) (resid 3 and name HD* ) 4.04 2.24 0.40 assign (resid 6 and name HN ) (resid 6 and name HD1* ) 3.79 1.99 0.38 assign (resid 6 and name HD2* ) (resid 31 and name HN ) 4.67 2.87 0.47 assign (resid 34 and name HN ) (resid 34 and name HD1* ) 4.89 3.09 0.49 assign (resid 49 and name HN ) (resid 49 and name HD1* ) 4.28 2.48 0.43 assign (resid 44 and name HD* ) (resid 50 and name HN ) 4.60 2.80 0.46 assign (resid 50 and name HN ) (resid 50 and name HD* ) 5.12 3.32 0.51 assign (resid 57 and name HN ) (resid 57 and name HD1* ) 4.40 2.60 0.44 assign (resid 65 and name HN ) (resid 65 and name HB1 ) 4.10 2.30 0.41 assign (resid 77 and name HN ) (resid 77 and name HD* ) 3.66 1.86 0.37 assign (resid 79 and name HN ) (resid 79 and name HD1* ) 4.34 2.54 0.43 assign (resid 92 and name HN ) (resid 92 and name HD2* ) 4.31 2.51 0.43 assign (resid 92 and name HN ) (resid 92 and name HD1* ) 4.45 2.65 0.44 assign (resid 107 and name HN ) (resid 107 and name HD1* ) 3.96 2.16 0.40 assign (resid 107 and name HN ) (resid 107 and name HD2* ) 4.20 2.40 0.42 assign (resid 6 and name HN ) (resid 6 and name HD2* ) 3.87 2.07 0.39 assign (resid 20 and name HN ) (resid 20 and name HB1 ) 3.70 1.90 0.37 assign (resid 21 and name HN ) (resid 21 and name HD2* ) 4.54 2.74 0.45 assign (resid 24 and name HN ) (resid 24 and name HD* ) 3.89 2.09 0.39 assign (resid 49 and name HN ) (resid 49 and name HD2* ) 4.32 2.52 0.43 assign (resid 57 and name HN ) (resid 57 and name HD2* ) 4.17 2.37 0.42 assign (resid 63 and name HN ) (resid 63 and name HB1 ) 3.96 2.16 0.40 assign (resid 65 and name HN ) (resid 65 and name HD2* ) 4.02 2.22 0.40 assign (resid 67 and name HN ) (resid 67 and name HD* ) 4.02 2.22 0.40 assign (resid 106 and name HG1* ) (resid 107 and name HN ) 3.95 2.15 0.40 assign (resid 20 and name HN ) (resid 20 and name HD2 ) 4.30 2.50 0.43 assign (resid 29 and name HN ) (resid 29 and name HD1 ) 4.67 2.87 0.47 assign (resid 43 and name HB ) (resid 51 and name HN ) 3.61 1.81 0.36 assign (resid 34 and name HN ) (resid 34 and name HG11 ) 4.83 3.03 0.48 assign (resid 45 and name HN ) (resid 45 and name HG11 ) 3.96 2.16 0.40 assign (resid 79 and name HN ) (resid 79 and name HG12 ) 3.82 2.02 0.38 assign (resid 10 and name HN ) (resid 10 and name HG12 ) 4.18 2.38 0.42 assign (resid 45 and name HN ) (resid 45 and name HG12 ) 4.73 2.93 0.47 assign (resid 79 and name HN ) (resid 79 and name HG11 ) 4.15 2.35 0.42 assign (resid 24 and name HN ) (resid 67 and name HZ ) 5.50 3.70 0.55 assign (resid 77 and name HN ) (resid 77 and name HE* ) 4.86 3.06 0.49 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 4.22 2.42 0.42 assign (resid 53 and name HN ) (resid 53 and name HE3 ) 3.55 1.75 0.35 assign (resid 44 and name HB2 ) (resid 48 and name HN ) 5.49 3.69 0.55 assign (resid 69 and name HN ) (resid 69 and name HE3 ) 4.91 3.11 0.49 assign (resid 93 and name HN ) (resid 93 and name HD21 ) 5.13 3.33 0.51 assign (resid 95 and name HN ) (resid 96 and name HN ) 3.39 1.59 0.34 assign (resid 96 and name HN ) (resid 97 and name HN ) 3.38 1.58 0.34 assign (resid 15 and name HN ) (resid 16 and name HG1* ) 3.56 1.76 0.36 assign (resid 15 and name HG1* ) (resid 16 and name HN ) 3.19 1.39 0.32 assign (resid 16 and name HN ) (resid 16 and name HG1* ) 3.50 1.70 0.35 assign (resid 18 and name HN ) (resid 18 and name HG1* ) 3.18 1.38 0.32 assign (resid 26 and name HN ) (resid 26 and name HG1* ) 4.05 2.25 0.41 assign (resid 6 and name HD2* ) (resid 36 and name HN ) 4.08 2.28 0.41 assign (resid 43 and name HN ) (resid 43 and name HG1* ) 4.25 2.45 0.43 assign (resid 55 and name HN ) (resid 55 and name HG1* ) 3.44 1.64 0.34 assign (resid 83 and name HN ) (resid 83 and name HG1* ) 3.14 1.34 0.31 assign (resid 89 and name HN ) (resid 89 and name HG1* ) 4.17 2.37 0.42 assign (resid 103 and name HN ) (resid 103 and name HG1* ) 4.01 2.21 0.40 assign (resid 105 and name HN ) (resid 105 and name HG1* ) 3.92 2.12 0.39 assign (resid 19 and name HB2 ) (resid 19 and name HD21 ) 3.29 1.49 0.33 assign (resid 46 and name HB2 ) (resid 46 and name HD21 ) 3.86 2.06 0.39 assign (resid 19 and name HB1 ) (resid 19 and name HD21 ) 3.48 1.68 0.35 assign (resid 46 and name HB1 ) (resid 46 and name HD21 ) 3.86 2.06 0.39 assign (resid 19 and name HB2 ) (resid 19 and name HD22 ) 3.57 1.77 0.36 assign (resid 46 and name HB2 ) (resid 46 and name HD22 ) 3.86 2.06 0.39 assign (resid 93 and name HB2 ) (resid 93 and name HD22 ) 4.09 2.29 0.41 assign (resid 19 and name HB1 ) (resid 19 and name HD22 ) 4.07 2.27 0.41 assign (resid 46 and name HB1 ) (resid 46 and name HD22 ) 3.86 2.06 0.39 assign (resid 93 and name HB1 ) (resid 93 and name HD22 ) 4.09 2.29 0.41 assign (resid 4 and name HA ) (resid 33 and name HN ) 4.23 2.43 0.42 assign (resid 31 and name HB* ) (resid 33 and name HN ) 5.16 3.36 0.52 assign (resid 33 and name HN ) (resid 92 and name HD1* ) 5.50 3.70 0.55 assign (resid 44 and name HB2 ) (resid 47 and name HN ) 4.63 2.83 0.46 assign (resid 44 and name HB1 ) (resid 47 and name HN ) 4.48 2.68 0.45 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.29 2.49 0.43 assign (resid 30 and name HA ) (resid 32 and name HN ) 4.26 2.46 0.43 assign (resid 5 and name HB1 ) (resid 32 and name HN ) 4.70 2.90 0.47 assign (resid 30 and name HB1 ) (resid 32 and name HN ) 4.82 3.02 0.48 assign (resid 31 and name HB* ) (resid 32 and name HN ) 3.98 2.18 0.40 assign (resid 31 and name HG ) (resid 32 and name HN ) 5.03 3.23 0.50 assign (resid 32 and name HN ) (resid 34 and name HG2* ) 4.40 2.60 0.44 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.98 2.18 0.40 assign (resid 36 and name HA ) (resid 38 and name HN ) 4.14 2.34 0.41 assign (resid 37 and name HD2 ) (resid 38 and name HN ) 3.96 2.16 0.40 assign (resid 37 and name HD1 ) (resid 38 and name HN ) 3.96 2.16 0.40 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 4.49 2.69 0.45 assign (resid 37 and name HG2 ) (resid 38 and name HN ) 3.58 1.78 0.36 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 3.81 2.01 0.38 assign (resid 36 and name HG1* ) (resid 38 and name HN ) 3.10 1.30 0.31 assign (resid 70 and name HG2* ) (resid 72 and name HN ) 4.42 2.62 0.44 assign (resid 91 and name HN ) (resid 93 and name HN ) 5.50 3.70 0.55 assign (resid 91 and name HA ) (resid 93 and name HN ) 4.53 2.73 0.45 assign (resid 5 and name HB2 ) (resid 93 and name HN ) 4.55 2.75 0.46 assign (resid 5 and name HB1 ) (resid 93 and name HN ) 5.50 3.70 0.55 assign (resid 91 and name HB2 ) (resid 93 and name HN ) 3.64 1.84 0.36 assign (resid 91 and name HB1 ) (resid 93 and name HN ) 3.64 1.84 0.36 assign (resid 92 and name HB* ) (resid 93 and name HN ) 3.30 1.50 0.33 assign (resid 92 and name HD1* ) (resid 93 and name HN ) 4.36 2.56 0.44 assign (resid 75 and name HN ) (resid 105 and name HN ) 3.78 1.98 0.38 assign (resid 75 and name HN ) (resid 76 and name HN ) 4.51 2.71 0.45 assign (resid 75 and name HN ) (resid 77 and name HD* ) 4.83 3.03 0.48 assign (resid 75 and name HN ) (resid 105 and name HA ) 4.75 2.95 0.47 assign (resid 75 and name HN ) (resid 104 and name HA ) 5.49 3.69 0.55 assign (resid 75 and name HN ) (resid 106 and name HA ) 4.86 3.06 0.49 assign (resid 75 and name HN ) (resid 105 and name HB ) 3.46 1.66 0.35 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 3.43 1.63 0.34 assign (resid 75 and name HN ) (resid 105 and name HG2* ) 3.89 2.09 0.39 assign (resid 75 and name HN ) (resid 105 and name HG1* ) 3.66 1.86 0.37 assign (resid 12 and name HN ) (resid 101 and name HE* ) 4.58 2.78 0.46 assign (resid 12 and name HN ) (resid 101 and name HZ ) 5.02 3.22 0.50 assign (resid 12 and name HN ) (resid 24 and name HD* ) 4.71 2.91 0.47 assign (resid 12 and name HN ) (resid 13 and name HD2 ) 5.05 3.25 0.51 assign (resid 12 and name HN ) (resid 13 and name HD1 ) 5.20 3.40 0.52 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 4.32 2.52 0.43 assign (resid 11 and name HG2 ) (resid 12 and name HN ) 4.51 2.71 0.45 assign (resid 10 and name HG2* ) (resid 12 and name HN ) 4.61 2.81 0.46 assign (resid 93 and name HD21 ) (resid 96 and name HD21 ) 4.63 2.83 0.46 assign (resid 93 and name HD21 ) (resid 96 and name HD22 ) 4.63 2.83 0.46 assign (resid 80 and name HD21 ) (resid 101 and name HN ) 4.96 3.16 0.50 assign (resid 80 and name HD21 ) (resid 81 and name HN ) 4.35 2.55 0.44 assign (resid 80 and name HA ) (resid 80 and name HD21 ) 3.65 1.85 0.37 assign (resid 80 and name HD21 ) (resid 100 and name HA ) 3.77 1.97 0.38 assign (resid 80 and name HD21 ) (resid 82 and name HG2* ) 4.83 3.03 0.48 assign (resid 80 and name HD21 ) (resid 98 and name HG1* ) 3.54 1.74 0.35 assign (resid 80 and name HD22 ) (resid 81 and name HN ) 5.37 3.57 0.54 assign (resid 80 and name HA ) (resid 80 and name HD22 ) 4.13 2.33 0.41 assign (resid 80 and name HD22 ) (resid 100 and name HA ) 4.02 2.22 0.40 assign (resid 80 and name HD22 ) (resid 100 and name HG2* ) 3.60 1.80 0.36 assign (resid 80 and name HD22 ) (resid 98 and name HG1* ) 3.64 1.84 0.36 assign (resid 44 and name HD* ) (resid 82 and name HN ) 4.93 3.13 0.49 assign (resid 44 and name HE* ) (resid 82 and name HN ) 5.17 3.37 0.52 assign (resid 43 and name HA ) (resid 82 and name HN ) 4.86 3.06 0.49 assign (resid 41 and name HG1* ) (resid 82 and name HN ) 4.12 2.32 0.41 assign (resid 8 and name HG1* ) (resid 82 and name HN ) 4.69 2.89 0.47 assign (resid 8 and name HG2* ) (resid 82 and name HN ) 5.02 3.22 0.50 assign (resid 17 and name HN ) (resid 18 and name HN ) 4.76 2.96 0.48 assign (resid 17 and name HN ) (resid 20 and name HB2 ) 4.27 2.47 0.43 assign (resid 16 and name HB ) (resid 17 and name HN ) 3.84 2.04 0.38 assign (resid 17 and name HN ) (resid 20 and name HB1 ) 4.30 2.50 0.43 assign (resid 17 and name HN ) (resid 20 and name HG1 ) 4.33 2.53 0.43 assign (resid 17 and name HN ) (resid 20 and name HG2 ) 4.80 3.00 0.48 assign (resid 17 and name HN ) (resid 106 and name HG2* ) 4.39 2.59 0.44 assign (resid 46 and name HD22 ) (resid 77 and name HD* ) 4.18 2.38 0.42 assign (resid 46 and name HD22 ) (resid 77 and name HA ) 4.24 2.44 0.42 assign (resid 46 and name HD21 ) (resid 77 and name HD* ) 4.18 2.38 0.42 assign (resid 46 and name HD21 ) (resid 77 and name HA ) 4.24 2.44 0.42 assign (resid 45 and name HG2* ) (resid 46 and name HD21 ) 4.83 3.03 0.48 assign (resid 30 and name HD21 ) (resid 35 and name HA2 ) 4.08 2.28 0.41 assign (resid 30 and name HD21 ) (resid 35 and name HA1 ) 4.79 2.99 0.48 assign (resid 30 and name HD22 ) (resid 35 and name HA2 ) 4.08 2.28 0.41 assign (resid 30 and name HD22 ) (resid 36 and name HG2* ) 4.20 2.40 0.42 assign (resid 52 and name HN ) (resid 52 and name HD22 ) 4.67 2.87 0.47 assign (resid 49 and name HD2* ) (resid 52 and name HD22 ) 4.30 2.50 0.43 assign (resid 52 and name HN ) (resid 52 and name HD21 ) 4.67 2.87 0.47 assign (resid 49 and name HD2* ) (resid 52 and name HD21 ) 4.30 2.50 0.43 assign (resid 35 and name HN ) (resid 58 and name HA2 ) 5.01 3.21 0.50 assign (resid 35 and name HN ) (resid 59 and name HD1 ) 4.74 2.94 0.47 assign (resid 34 and name HB ) (resid 35 and name HN ) 4.11 2.31 0.41 assign (resid 34 and name HG11 ) (resid 35 and name HN ) 4.17 2.37 0.42 assign (resid 34 and name HG2* ) (resid 35 and name HN ) 4.12 2.32 0.41 assign (resid 34 and name HD1* ) (resid 35 and name HN ) 4.23 2.43 0.42 assign (resid 5 and name HN ) (resid 31 and name HN ) 4.03 2.23 0.40 assign (resid 5 and name HN ) (resid 6 and name HN ) 4.34 2.54 0.43 assign (resid 5 and name HN ) (resid 33 and name HN ) 4.85 3.05 0.48 assign (resid 5 and name HN ) (resid 30 and name HA ) 4.11 2.31 0.41 assign (resid 5 and name HN ) (resid 32 and name HA2 ) 4.29 2.49 0.43 assign (resid 5 and name HN ) (resid 32 and name HA1 ) 4.29 2.49 0.43 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.74 1.94 0.37 assign (resid 4 and name HG1 ) (resid 5 and name HN ) 5.29 3.49 0.53 assign (resid 4 and name HG2 ) (resid 5 and name HN ) 4.90 3.10 0.49 assign (resid 5 and name HN ) (resid 31 and name HB* ) 5.18 3.38 0.52 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 3.74 1.94 0.37 assign (resid 5 and name HN ) (resid 34 and name HG2* ) 3.93 2.13 0.39 assign (resid 53 and name HE1 ) (resid 66 and name HN ) 5.14 3.34 0.51 assign (resid 66 and name HN ) (resid 67 and name HN ) 4.64 2.84 0.46 assign (resid 53 and name HZ2 ) (resid 66 and name HN ) 5.50 3.70 0.55 assign (resid 26 and name HG2* ) (resid 66 and name HN ) 4.82 3.02 0.48 assign (resid 65 and name HB2 ) (resid 66 and name HN ) 4.07 2.27 0.41 assign (resid 65 and name HD2* ) (resid 66 and name HN ) 4.05 2.25 0.41 assign (resid 65 and name HB1 ) (resid 66 and name HN ) 3.68 1.88 0.37 assign (resid 19 and name HD22 ) (resid 72 and name HA ) 4.79 2.99 0.48 assign (resid 19 and name HD22 ) (resid 72 and name HB ) 5.18 3.38 0.52 assign (resid 19 and name HA ) (resid 19 and name HD22 ) 4.80 3.00 0.48 assign (resid 18 and name HG1* ) (resid 19 and name HD22 ) 3.95 2.15 0.40 assign (resid 18 and name HG2* ) (resid 19 and name HD22 ) 4.10 2.30 0.41 assign (resid 19 and name HA ) (resid 19 and name HD21 ) 4.51 2.71 0.45 assign (resid 19 and name HD21 ) (resid 72 and name HG2* ) 4.73 2.93 0.47 assign (resid 18 and name HG2* ) (resid 19 and name HD21 ) 4.10 2.30 0.41 assign (resid 88 and name HN ) (resid 89 and name HN ) 3.09 1.29 0.31 assign (resid 84 and name HA ) (resid 88 and name HN ) 4.85 3.05 0.48 assign (resid 88 and name HN ) (resid 89 and name HB ) 5.50 3.70 0.55 assign (resid 35 and name HA2 ) (resid 58 and name HN ) 4.84 3.04 0.48 assign (resid 58 and name HN ) (resid 59 and name HD1 ) 5.06 3.26 0.51 assign (resid 58 and name HN ) (resid 59 and name HD2 ) 4.41 2.61 0.44 assign (resid 58 and name HN ) (resid 61 and name HG2 ) 4.81 3.01 0.48 assign (resid 58 and name HN ) (resid 61 and name HG1 ) 4.81 3.01 0.48 assign (resid 58 and name HN ) (resid 61 and name HB1 ) 3.77 1.97 0.38 assign (resid 58 and name HN ) (resid 61 and name HB2 ) 3.64 1.84 0.36 assign (resid 57 and name HB1 ) (resid 58 and name HN ) 4.29 2.49 0.43 assign (resid 57 and name HD2* ) (resid 58 and name HN ) 3.83 2.03 0.38 assign (resid 68 and name HN ) (resid 69 and name HN ) 4.81 3.01 0.48 assign (resid 67 and name HD* ) (resid 68 and name HN ) 4.03 2.23 0.40 assign (resid 23 and name HA ) (resid 68 and name HN ) 5.38 3.58 0.54 assign (resid 67 and name HB2 ) (resid 68 and name HN ) 3.55 1.75 0.35 assign (resid 56 and name HN ) (resid 57 and name HN ) 4.39 2.59 0.44 assign (resid 55 and name HB ) (resid 56 and name HN ) 3.09 1.29 0.31 assign (resid 55 and name HG1* ) (resid 56 and name HN ) 3.50 1.70 0.35 assign (resid 55 and name HG2* ) (resid 56 and name HN ) 3.79 1.99 0.38 assign (resid 7 and name HG2* ) (resid 96 and name HD21 ) 4.36 2.56 0.44 assign (resid 31 and name HD1* ) (resid 96 and name HD21 ) 4.24 2.44 0.42 assign (resid 7 and name HB ) (resid 96 and name HD22 ) 4.42 2.62 0.44 assign (resid 7 and name HG2* ) (resid 96 and name HD22 ) 4.36 2.56 0.44 assign (resid 31 and name HD1* ) (resid 96 and name HD22 ) 4.24 2.44 0.42 assign (resid 43 and name HN ) (resid 51 and name HN ) 3.63 1.83 0.36 assign (resid 44 and name HA ) (resid 51 and name HN ) 4.74 2.94 0.47 assign (resid 49 and name HA ) (resid 51 and name HN ) 4.03 2.23 0.40 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 4.04 2.24 0.40 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 4.04 2.24 0.40 assign (resid 49 and name HG ) (resid 51 and name HN ) 4.26 2.46 0.43 assign (resid 98 and name HN ) (resid 99 and name HN ) 4.51 2.71 0.45 assign (resid 96 and name HA ) (resid 98 and name HN ) 4.14 2.34 0.41 assign (resid 97 and name HB2 ) (resid 98 and name HN ) 4.63 2.83 0.46 assign (resid 97 and name HB1 ) (resid 98 and name HN ) 4.63 2.83 0.46 assign (resid 98 and name HN ) (resid 99 and name HB* ) 5.36 3.56 0.54 assign (resid 82 and name HG2* ) (resid 98 and name HN ) 5.13 3.33 0.51 assign (resid 8 and name HG2* ) (resid 98 and name HN ) 4.18 2.38 0.42 assign (resid 6 and name HN ) (resid 92 and name HN ) 5.50 3.70 0.55 assign (resid 3 and name HD* ) (resid 92 and name HN ) 5.50 3.70 0.55 assign (resid 4 and name HD2 ) (resid 92 and name HN ) 5.41 3.61 0.54 assign (resid 3 and name HB1 ) (resid 92 and name HN ) 3.89 2.09 0.39 assign (resid 5 and name HB2 ) (resid 92 and name HN ) 4.28 2.48 0.43 assign (resid 3 and name HB2 ) (resid 92 and name HN ) 4.04 2.24 0.40 assign (resid 25 and name HN ) (resid 67 and name HE* ) 4.77 2.97 0.48 assign (resid 24 and name HD* ) (resid 25 and name HN ) 4.11 2.31 0.41 assign (resid 12 and name HA2 ) (resid 25 and name HN ) 4.75 2.95 0.47 assign (resid 11 and name HB1 ) (resid 25 and name HN ) 4.81 3.01 0.48 assign (resid 25 and name HN ) (resid 66 and name HG2* ) 5.10 3.30 0.51 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 4.02 2.22 0.40 assign (resid 10 and name HG2* ) (resid 25 and name HN ) 4.47 2.67 0.45 assign (resid 25 and name HN ) (resid 64 and name HG1* ) 5.50 3.70 0.55 assign (resid 86 and name HN ) (resid 88 and name HN ) 4.85 3.05 0.48 assign (resid 86 and name HN ) (resid 87 and name HA ) 4.91 3.11 0.49 assign (resid 84 and name HA ) (resid 86 and name HN ) 4.03 2.23 0.40 assign (resid 85 and name HB2 ) (resid 86 and name HN ) 3.91 2.11 0.39 assign (resid 86 and name HN ) (resid 88 and name HG2* ) 4.58 2.78 0.46 assign (resid 51 and name HD* ) (resid 52 and name HN ) 4.08 2.28 0.41 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 3.91 2.11 0.39 assign (resid 51 and name HG2 ) (resid 52 and name HN ) 3.86 2.06 0.39 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 3.97 2.17 0.40 assign (resid 99 and name HB* ) (resid 100 and name HN ) 3.18 1.38 0.32 assign (resid 98 and name HG1* ) (resid 100 and name HN ) 4.61 2.81 0.46 assign (resid 10 and name HD1* ) (resid 100 and name HN ) 4.59 2.79 0.46 assign (resid 67 and name HN ) (resid 68 and name HN ) 4.56 2.76 0.46 assign (resid 24 and name HN ) (resid 67 and name HN ) 3.67 1.87 0.37 assign (resid 23 and name HA ) (resid 67 and name HN ) 4.79 2.99 0.48 assign (resid 25 and name HA ) (resid 67 and name HN ) 5.06 3.26 0.51 assign (resid 66 and name HB ) (resid 67 and name HN ) 3.45 1.65 0.34 assign (resid 24 and name HB1 ) (resid 67 and name HN ) 5.31 3.51 0.53 assign (resid 23 and name HG2 ) (resid 67 and name HN ) 4.72 2.92 0.47 assign (resid 66 and name HG2* ) (resid 67 and name HN ) 3.62 1.82 0.36 assign (resid 24 and name HB2 ) (resid 67 and name HN ) 4.32 2.52 0.43 assign (resid 19 and name HN ) (resid 72 and name HA ) 3.95 2.15 0.40 assign (resid 18 and name HB ) (resid 19 and name HN ) 4.31 2.51 0.43 assign (resid 19 and name HN ) (resid 71 and name HG2 ) 4.21 2.41 0.42 assign (resid 19 and name HN ) (resid 72 and name HG2* ) 4.17 2.37 0.42 assign (resid 18 and name HG2* ) (resid 19 and name HN ) 3.28 1.48 0.33 assign (resid 34 and name HN ) (resid 35 and name HN ) 4.50 2.70 0.45 assign (resid 34 and name HN ) (resid 60 and name HN ) 4.31 2.51 0.43 assign (resid 4 and name HA ) (resid 34 and name HN ) 3.88 2.08 0.39 assign (resid 32 and name HA2 ) (resid 34 and name HN ) 4.69 2.89 0.47 assign (resid 34 and name HN ) (resid 59 and name HA ) 4.48 2.68 0.45 assign (resid 30 and name HB1 ) (resid 34 and name HN ) 4.70 2.90 0.47 assign (resid 2 and name HG* ) (resid 34 and name HN ) 5.38 3.58 0.54 assign (resid 34 and name HN ) (resid 59 and name HB2 ) 4.69 2.89 0.47 assign (resid 3 and name HN ) (resid 4 and name HD2 ) 5.09 3.29 0.51 assign (resid 3 and name HN ) (resid 4 and name HD1 ) 4.97 3.17 0.50 assign (resid 3 and name HN ) (resid 92 and name HG ) 4.48 2.68 0.45 assign (resid 3 and name HN ) (resid 92 and name HD2* ) 3.95 2.15 0.40 assign (resid 3 and name HN ) (resid 92 and name HD1* ) 4.51 2.71 0.45 assign (resid 83 and name HN ) (resid 98 and name HA ) 4.41 2.61 0.44 assign (resid 7 and name HA ) (resid 83 and name HN ) 5.50 3.70 0.55 assign (resid 82 and name HB ) (resid 83 and name HN ) 3.56 1.76 0.36 assign (resid 82 and name HG2* ) (resid 83 and name HN ) 3.76 1.96 0.38 assign (resid 30 and name HN ) (resid 60 and name HA ) 4.91 3.11 0.49 assign (resid 30 and name HN ) (resid 61 and name HB1 ) 4.50 2.70 0.45 assign (resid 30 and name HN ) (resid 62 and name HB2 ) 4.76 2.96 0.48 assign (resid 29 and name HB2 ) (resid 30 and name HN ) 3.68 1.88 0.37 assign (resid 29 and name HG1 ) (resid 30 and name HN ) 4.40 2.60 0.44 assign (resid 6 and name HD2* ) (resid 30 and name HN ) 4.09 2.29 0.41 assign (resid 30 and name HN ) (resid 57 and name HD1* ) 3.98 2.18 0.40 assign (resid 95 and name HN ) (resid 97 and name HN ) 4.53 2.73 0.45 assign (resid 7 and name HG1 ) (resid 8 and name HN ) 3.45 1.65 0.34 assign (resid 8 and name HN ) (resid 28 and name HA ) 5.10 3.30 0.51 assign (resid 8 and name HN ) (resid 99 and name HB* ) 4.45 2.65 0.44 assign (resid 8 and name HN ) (resid 83 and name HG1* ) 4.02 2.22 0.40 assign (resid 45 and name HN ) (resid 50 and name HN ) 4.40 2.60 0.44 assign (resid 45 and name HN ) (resid 48 and name HB ) 4.40 2.60 0.44 assign (resid 45 and name HN ) (resid 49 and name HA ) 4.25 2.45 0.43 assign (resid 75 and name HA2 ) (resid 76 and name HN ) 3.15 1.35 0.32 assign (resid 75 and name HA1 ) (resid 76 and name HN ) 3.15 1.35 0.32 assign (resid 73 and name HN ) (resid 74 and name HN ) 4.66 2.86 0.47 assign (resid 71 and name HA ) (resid 73 and name HN ) 3.85 2.05 0.38 assign (resid 71 and name HB2 ) (resid 73 and name HN ) 4.36 2.56 0.44 assign (resid 72 and name HG2* ) (resid 73 and name HN ) 4.43 2.63 0.44 assign (resid 73 and name HN ) (resid 105 and name HG2* ) 5.33 3.53 0.53 assign (resid 18 and name HG2* ) (resid 73 and name HN ) 3.70 1.90 0.37 assign (resid 45 and name HN ) (resid 48 and name HN ) 3.62 1.82 0.36 assign (resid 44 and name HD* ) (resid 48 and name HN ) 4.80 3.00 0.48 assign (resid 44 and name HA ) (resid 48 and name HN ) 4.81 3.01 0.48 assign (resid 44 and name HB1 ) (resid 48 and name HN ) 4.29 2.49 0.43 assign (resid 7 and name HN ) (resid 28 and name HA ) 4.54 2.74 0.45 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.22 2.42 0.42 assign (resid 6 and name HG ) (resid 7 and name HN ) 5.32 3.52 0.53 assign (resid 7 and name HN ) (resid 31 and name HG ) 5.50 3.70 0.55 assign (resid 7 and name HN ) (resid 29 and name HD2 ) 5.20 3.40 0.52 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.10 2.30 0.41 assign (resid 7 and name HN ) (resid 8 and name HG1* ) 4.78 2.98 0.48 assign (resid 7 and name HN ) (resid 57 and name HD1* ) 5.26 3.46 0.53 assign (resid 20 and name HN ) (resid 21 and name HN ) 4.67 2.87 0.47 assign (resid 20 and name HN ) (resid 70 and name HA ) 4.85 3.05 0.48 assign (resid 20 and name HN ) (resid 21 and name HA ) 5.23 3.43 0.52 assign (resid 18 and name HA ) (resid 20 and name HN ) 4.08 2.28 0.41 assign (resid 16 and name HG2* ) (resid 20 and name HN ) 4.90 3.10 0.49 assign (resid 18 and name HG1* ) (resid 20 and name HN ) 4.69 2.89 0.47 assign (resid 20 and name HN ) (resid 70 and name HG2* ) 3.66 1.86 0.37 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.53 2.73 0.45 assign (resid 43 and name HN ) (resid 50 and name HD* ) 4.64 2.84 0.46 assign (resid 43 and name HN ) (resid 53 and name HZ3 ) 4.73 2.93 0.47 assign (resid 43 and name HN ) (resid 52 and name HB* ) 4.48 2.68 0.45 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 4.49 2.69 0.45 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 4.49 2.69 0.45 assign (resid 97 and name HN ) (resid 98 and name HN ) 3.10 1.30 0.31 assign (resid 94 and name HA ) (resid 97 and name HN ) 4.83 3.03 0.48 assign (resid 97 and name HN ) (resid 98 and name HB ) 5.15 3.35 0.52 assign (resid 87 and name HN ) (resid 88 and name HN ) 3.78 1.98 0.38 assign (resid 84 and name HA ) (resid 87 and name HN ) 4.09 2.29 0.41 assign (resid 87 and name HN ) (resid 88 and name HG2* ) 4.61 2.81 0.46 assign (resid 94 and name HA ) (resid 96 and name HN ) 4.35 2.55 0.44 assign (resid 96 and name HN ) (resid 97 and name HA ) 4.92 3.12 0.49 assign (resid 95 and name HB2 ) (resid 96 and name HN ) 4.65 2.85 0.47 assign (resid 95 and name HB1 ) (resid 96 and name HN ) 4.65 2.85 0.47 assign (resid 96 and name HN ) (resid 98 and name HG2* ) 5.50 3.70 0.55 assign (resid 30 and name HB2 ) (resid 60 and name HN ) 4.55 2.75 0.46 assign (resid 59 and name HB2 ) (resid 60 and name HN ) 3.98 2.18 0.40 assign (resid 60 and name HN ) (resid 61 and name HB2 ) 4.96 3.16 0.50 assign (resid 36 and name HN ) (resid 57 and name HN ) 3.94 2.14 0.39 assign (resid 30 and name HD21 ) (resid 36 and name HN ) 4.45 2.65 0.44 assign (resid 30 and name HD22 ) (resid 36 and name HN ) 4.45 2.65 0.44 assign (resid 36 and name HN ) (resid 56 and name HA ) 5.16 3.36 0.52 assign (resid 36 and name HN ) (resid 37 and name HA ) 4.96 3.16 0.50 assign (resid 35 and name HA1 ) (resid 36 and name HN ) 3.35 1.55 0.34 assign (resid 36 and name HN ) (resid 57 and name HB2 ) 4.62 2.82 0.46 assign (resid 36 and name HN ) (resid 57 and name HB1 ) 4.66 2.86 0.47 assign (resid 41 and name HN ) (resid 55 and name HN ) 4.80 3.00 0.48 assign (resid 40 and name HA ) (resid 55 and name HN ) 4.07 2.27 0.41 assign (resid 40 and name HG1 ) (resid 55 and name HN ) 4.84 3.04 0.48 assign (resid 40 and name HG2 ) (resid 55 and name HN ) 4.86 3.06 0.49 assign (resid 53 and name HD1 ) (resid 54 and name HN ) 4.38 2.58 0.44 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 3.58 1.78 0.36 assign (resid 53 and name HB2 ) (resid 54 and name HN ) 4.37 2.57 0.44 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.95 1.15 0.30 assign (resid 14 and name HN ) (resid 101 and name HZ ) 4.46 2.66 0.45 assign (resid 14 and name HN ) (resid 15 and name HA ) 5.15 3.35 0.52 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 3.80 2.00 0.38 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 3.80 2.00 0.38 assign (resid 14 and name HN ) (resid 15 and name HG2* ) 4.21 2.41 0.42 assign (resid 14 and name HN ) (resid 16 and name HG1* ) 4.70 2.90 0.47 assign (resid 78 and name HA ) (resid 78 and name HE ) 5.03 3.23 0.50 assign (resid 78 and name HB2 ) (resid 78 and name HE ) 4.38 2.58 0.44 assign (resid 78 and name HB1 ) (resid 78 and name HE ) 4.38 2.58 0.44 assign (resid 78 and name HE ) (resid 100 and name HG2* ) 4.70 2.90 0.47 assign (resid 43 and name HN ) (resid 53 and name HN ) 5.36 3.56 0.54 assign (resid 53 and name HN ) (resid 53 and name HZ3 ) 5.14 3.34 0.51 assign (resid 52 and name HB* ) (resid 53 and name HN ) 3.45 1.65 0.34 assign (resid 41 and name HB ) (resid 53 and name HN ) 4.26 2.46 0.43 assign (resid 41 and name HG1* ) (resid 53 and name HN ) 4.68 2.88 0.47 assign (resid 18 and name HN ) (resid 108 and name HN ) 4.67 2.87 0.47 assign (resid 18 and name HN ) (resid 105 and name HA ) 5.20 3.40 0.52 assign (resid 17 and name HA2 ) (resid 18 and name HN ) 3.05 1.25 0.31 assign (resid 18 and name HN ) (resid 107 and name HA ) 3.78 1.98 0.38 assign (resid 17 and name HA1 ) (resid 18 and name HN ) 3.28 1.48 0.33 assign (resid 18 and name HN ) (resid 106 and name HB ) 5.50 3.70 0.55 assign (resid 18 and name HN ) (resid 20 and name HG2 ) 4.78 2.98 0.48 assign (resid 58 and name HN ) (resid 61 and name HN ) 4.57 2.77 0.46 assign (resid 30 and name HN ) (resid 61 and name HN ) 3.90 2.10 0.39 assign (resid 29 and name HA ) (resid 61 and name HN ) 5.33 3.53 0.53 assign (resid 30 and name HA ) (resid 61 and name HN ) 5.50 3.70 0.55 assign (resid 59 and name HA ) (resid 61 and name HN ) 4.16 2.36 0.42 assign (resid 30 and name HB2 ) (resid 61 and name HN ) 3.85 2.05 0.38 assign (resid 60 and name HD* ) (resid 61 and name HN ) 5.50 3.70 0.55 assign (resid 57 and name HB1 ) (resid 61 and name HN ) 4.69 2.89 0.47 assign (resid 6 and name HD2* ) (resid 61 and name HN ) 5.12 3.32 0.51 assign (resid 57 and name HD2* ) (resid 61 and name HN ) 4.34 2.54 0.43 assign (resid 24 and name HN ) (resid 25 and name HN ) 4.61 2.81 0.46 assign (resid 24 and name HN ) (resid 68 and name HA ) 3.99 2.19 0.40 assign (resid 24 and name HN ) (resid 66 and name HA ) 4.58 2.78 0.46 assign (resid 24 and name HN ) (resid 66 and name HB ) 5.07 3.27 0.51 assign (resid 23 and name HB1 ) (resid 24 and name HN ) 3.76 1.96 0.38 assign (resid 23 and name HB2 ) (resid 24 and name HN ) 4.57 2.77 0.46 assign (resid 24 and name HN ) (resid 66 and name HG2* ) 4.74 2.94 0.47 assign (resid 107 and name HB* ) (resid 108 and name HN ) 3.23 1.43 0.32 assign (resid 106 and name HG1* ) (resid 108 and name HN ) 4.18 2.38 0.42 assign (resid 106 and name HG2* ) (resid 108 and name HN ) 3.70 1.90 0.37 assign (resid 16 and name HN ) (resid 106 and name HN ) 4.49 2.69 0.45 assign (resid 106 and name HN ) (resid 107 and name HA ) 5.17 3.37 0.52 assign (resid 17 and name HA1 ) (resid 106 and name HN ) 4.78 2.98 0.48 assign (resid 84 and name HB2 ) (resid 97 and name HD21 ) 4.86 3.06 0.49 assign (resid 83 and name HG1* ) (resid 97 and name HD21 ) 3.84 2.04 0.38 assign (resid 7 and name HN ) (resid 31 and name HN ) 5.50 3.70 0.55 assign (resid 5 and name HB1 ) (resid 31 and name HN ) 4.16 2.36 0.42 assign (resid 30 and name HB1 ) (resid 31 and name HN ) 4.31 2.51 0.43 assign (resid 7 and name HG2* ) (resid 31 and name HN ) 5.12 3.32 0.51 assign (resid 9 and name HN ) (resid 10 and name HN ) 4.39 2.59 0.44 assign (resid 9 and name HN ) (resid 28 and name HA ) 4.13 2.33 0.41 assign (resid 9 and name HN ) (resid 27 and name HB2 ) 4.59 2.79 0.46 assign (resid 9 and name HN ) (resid 27 and name HB1 ) 4.59 2.79 0.46 assign (resid 8 and name HB ) (resid 9 and name HN ) 3.73 1.93 0.37 assign (resid 9 and name HN ) (resid 99 and name HB* ) 4.19 2.39 0.42 assign (resid 7 and name HG2* ) (resid 9 and name HN ) 5.50 3.70 0.55 assign (resid 9 and name HN ) (resid 28 and name HG1* ) 4.10 2.30 0.41 assign (resid 8 and name HG1* ) (resid 9 and name HN ) 4.22 2.42 0.42 assign (resid 8 and name HG2* ) (resid 9 and name HN ) 4.44 2.64 0.44 assign (resid 9 and name HN ) (resid 26 and name HG1* ) 4.22 2.42 0.42 assign (resid 21 and name HN ) (resid 22 and name HN ) 4.61 2.81 0.46 assign (resid 20 and name HB2 ) (resid 21 and name HN ) 4.03 2.23 0.40 assign (resid 20 and name HG2 ) (resid 21 and name HN ) 5.14 3.34 0.51 assign (resid 21 and name HN ) (resid 70 and name HG2* ) 4.61 2.81 0.46 assign (resid 14 and name HB2 ) (resid 15 and name HN ) 4.51 2.71 0.45 assign (resid 14 and name HB1 ) (resid 15 and name HN ) 4.51 2.71 0.45 assign (resid 13 and name HB2 ) (resid 15 and name HN ) 4.48 2.68 0.45 assign (resid 13 and name HB1 ) (resid 15 and name HN ) 4.48 2.68 0.45 assign (resid 15 and name HN ) (resid 103 and name HG1* ) 4.98 3.18 0.50 assign (resid 16 and name HN ) (resid 104 and name HN ) 4.26 2.46 0.43 assign (resid 15 and name HA ) (resid 104 and name HN ) 3.74 1.94 0.37 assign (resid 14 and name HA ) (resid 104 and name HN ) 4.31 2.51 0.43 assign (resid 103 and name HB ) (resid 104 and name HN ) 4.35 2.55 0.44 assign (resid 62 and name HG2 ) (resid 64 and name HN ) 5.00 3.20 0.50 assign (resid 76 and name HE* ) (resid 104 and name HN ) 5.25 3.45 0.53 assign (resid 15 and name HB ) (resid 104 and name HN ) 5.50 3.70 0.55 assign (resid 103 and name HG1* ) (resid 104 and name HN ) 3.45 1.65 0.34 assign (resid 15 and name HG2* ) (resid 104 and name HN ) 4.05 2.25 0.41 assign (resid 15 and name HG1* ) (resid 104 and name HN ) 4.50 2.70 0.45 assign (resid 104 and name HN ) (resid 105 and name HG2* ) 4.89 3.09 0.49 assign (resid 77 and name HN ) (resid 103 and name HN ) 3.99 2.19 0.40 assign (resid 78 and name HA ) (resid 103 and name HN ) 4.10 2.30 0.41 assign (resid 102 and name HB2 ) (resid 103 and name HN ) 4.24 2.44 0.42 assign (resid 102 and name HB1 ) (resid 103 and name HN ) 4.24 2.44 0.42 assign (resid 103 and name HN ) (resid 105 and name HG2* ) 5.50 3.70 0.55 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 4.70 2.90 0.47 assign (resid 37 and name HB2 ) (resid 39 and name HN ) 5.21 3.41 0.52 assign (resid 77 and name HD* ) (resid 78 and name HN ) 4.46 2.66 0.45 assign (resid 46 and name HA ) (resid 78 and name HN ) 4.64 2.84 0.46 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 4.33 2.53 0.43 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 4.33 2.53 0.43 assign (resid 45 and name HG2* ) (resid 78 and name HN ) 4.87 3.07 0.49 assign (resid 83 and name HA ) (resid 85 and name HN ) 4.57 2.77 0.46 assign (resid 82 and name HB ) (resid 85 and name HN ) 4.50 2.70 0.45 assign (resid 37 and name HA ) (resid 57 and name HN ) 4.38 2.58 0.44 assign (resid 35 and name HA2 ) (resid 57 and name HN ) 5.23 3.43 0.52 assign (resid 56 and name HB* ) (resid 57 and name HN ) 3.53 1.73 0.35 assign (resid 6 and name HD2* ) (resid 57 and name HN ) 4.44 2.64 0.44 assign (resid 85 and name HN ) (resid 86 and name HN ) 4.01 2.21 0.40 assign (resid 82 and name HG2* ) (resid 85 and name HN ) 5.50 3.70 0.55 assign (resid 81 and name HN ) (resid 82 and name HN ) 4.66 2.86 0.47 assign (resid 81 and name HN ) (resid 99 and name HN ) 3.47 1.67 0.35 assign (resid 81 and name HN ) (resid 100 and name HA ) 5.25 3.45 0.53 assign (resid 80 and name HB1 ) (resid 81 and name HN ) 3.85 2.05 0.38 assign (resid 80 and name HB2 ) (resid 81 and name HN ) 4.36 2.56 0.44 assign (resid 81 and name HN ) (resid 99 and name HB* ) 3.78 1.98 0.38 assign (resid 10 and name HD1* ) (resid 81 and name HN ) 3.47 1.67 0.35 assign (resid 106 and name HB ) (resid 107 and name HN ) 3.09 1.29 0.31 assign (resid 74 and name HB1 ) (resid 107 and name HN ) 4.49 2.69 0.45 assign (resid 106 and name HG2* ) (resid 107 and name HN ) 4.10 2.30 0.41 assign (resid 40 and name HN ) (resid 41 and name HN ) 4.54 2.74 0.45 assign (resid 40 and name HN ) (resid 84 and name HA ) 3.99 2.19 0.40 assign (resid 39 and name HB ) (resid 40 and name HN ) 4.73 2.93 0.47 assign (resid 40 and name HN ) (resid 84 and name HB2 ) 4.86 3.06 0.49 assign (resid 40 and name HN ) (resid 41 and name HG2* ) 4.60 2.80 0.46 assign (resid 39 and name HG2* ) (resid 40 and name HN ) 3.79 1.99 0.38 assign (resid 26 and name HN ) (resid 65 and name HN ) 3.82 2.02 0.38 assign (resid 26 and name HN ) (resid 67 and name HN ) 5.49 3.69 0.55 assign (resid 26 and name HN ) (resid 67 and name HE* ) 4.81 3.01 0.48 assign (resid 26 and name HN ) (resid 66 and name HA ) 4.02 2.22 0.40 assign (resid 26 and name HN ) (resid 65 and name HA ) 4.71 2.91 0.47 assign (resid 25 and name HB1 ) (resid 26 and name HN ) 4.18 2.38 0.42 assign (resid 26 and name HN ) (resid 66 and name HG2* ) 4.28 2.48 0.43 assign (resid 26 and name HN ) (resid 65 and name HB2 ) 4.42 2.62 0.44 assign (resid 26 and name HN ) (resid 65 and name HB1 ) 5.25 3.45 0.53 assign (resid 26 and name HN ) (resid 65 and name HD1* ) 5.50 3.70 0.55 assign (resid 44 and name HD* ) (resid 80 and name HN ) 4.80 3.00 0.48 assign (resid 45 and name HA ) (resid 80 and name HN ) 4.37 2.57 0.44 assign (resid 44 and name HB2 ) (resid 80 and name HN ) 4.40 2.60 0.44 assign (resid 44 and name HB1 ) (resid 80 and name HN ) 5.30 3.50 0.53 assign (resid 79 and name HG2* ) (resid 80 and name HN ) 3.39 1.59 0.34 assign (resid 43 and name HG1* ) (resid 80 and name HN ) 3.92 2.12 0.39 assign (resid 7 and name HA ) (resid 29 and name HN ) 5.41 3.61 0.54 assign (resid 61 and name HG1 ) (resid 62 and name HN ) 3.75 1.95 0.38 assign (resid 7 and name HN ) (resid 29 and name HN ) 3.61 1.81 0.36 assign (resid 8 and name HA ) (resid 29 and name HN ) 4.40 2.60 0.44 assign (resid 28 and name HG1* ) (resid 29 and name HN ) 4.26 2.46 0.43 assign (resid 28 and name HG2* ) (resid 29 and name HN ) 4.59 2.79 0.46 assign (resid 29 and name HN ) (resid 57 and name HD1* ) 3.85 2.05 0.38 assign (resid 11 and name HN ) (resid 12 and name HN ) 4.63 2.83 0.46 assign (resid 11 and name HN ) (resid 27 and name HD2 ) 4.95 3.15 0.49 assign (resid 11 and name HN ) (resid 25 and name HB2 ) 4.43 2.63 0.44 assign (resid 11 and name HN ) (resid 26 and name HG2* ) 5.05 3.25 0.51 assign (resid 10 and name HG12 ) (resid 11 and name HN ) 4.46 2.66 0.45 assign (resid 69 and name HB1 ) (resid 70 and name HN ) 4.90 3.10 0.49 assign (resid 21 and name HD1* ) (resid 70 and name HN ) 4.85 3.05 0.48 assign (resid 9 and name HG* ) (resid 10 and name HN ) 3.82 2.02 0.38 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 3.56 1.76 0.36 assign (resid 40 and name HN ) (resid 84 and name HN ) 4.47 2.67 0.45 assign (resid 41 and name HA ) (resid 84 and name HN ) 5.20 3.40 0.52 assign (resid 83 and name HB ) (resid 84 and name HN ) 4.34 2.54 0.43 assign (resid 83 and name HG2* ) (resid 84 and name HN ) 3.40 1.60 0.34 assign (resid 77 and name HN ) (resid 105 and name HN ) 4.55 2.75 0.46 assign (resid 77 and name HN ) (resid 78 and name HN ) 4.92 3.12 0.49 assign (resid 77 and name HN ) (resid 104 and name HA ) 4.06 2.26 0.41 assign (resid 77 and name HN ) (resid 103 and name HB ) 4.48 2.68 0.45 assign (resid 76 and name HE* ) (resid 77 and name HN ) 3.85 2.05 0.38 assign (resid 77 and name HN ) (resid 103 and name HG1* ) 4.57 2.77 0.46 assign (resid 77 and name HN ) (resid 105 and name HG2* ) 4.63 2.83 0.46 assign (resid 87 and name HN ) (resid 89 and name HN ) 4.46 2.66 0.45 assign (resid 87 and name HA ) (resid 89 and name HN ) 3.91 2.11 0.39 assign (resid 88 and name HG2* ) (resid 89 and name HN ) 4.26 2.46 0.43 assign (resid 90 and name HB ) (resid 91 and name HN ) 4.54 2.74 0.45 assign (resid 90 and name HG2* ) (resid 91 and name HN ) 4.16 2.36 0.42 assign (resid 90 and name HG1* ) (resid 91 and name HN ) 3.26 1.46 0.33 assign (resid 16 and name HN ) (resid 17 and name HA2 ) 5.02 3.22 0.50 assign (resid 41 and name HB ) (resid 42 and name HN ) 4.61 2.81 0.46 assign (resid 16 and name HN ) (resid 103 and name HG1* ) 3.94 2.14 0.39 assign (resid 63 and name HN ) (resid 64 and name HN ) 4.45 2.65 0.44 assign (resid 29 and name HA ) (resid 63 and name HN ) 3.82 2.02 0.38 assign (resid 28 and name HN ) (resid 64 and name HA ) 3.97 2.17 0.40 assign (resid 28 and name HN ) (resid 29 and name HG2 ) 5.50 3.70 0.55 assign (resid 29 and name HG2 ) (resid 63 and name HN ) 5.50 3.70 0.55 assign (resid 28 and name HN ) (resid 29 and name HG1 ) 5.50 3.70 0.55 assign (resid 57 and name HD2* ) (resid 63 and name HN ) 3.48 1.68 0.35 assign (resid 28 and name HN ) (resid 64 and name HG2* ) 4.37 2.57 0.44 assign (resid 63 and name HN ) (resid 64 and name HG2* ) 4.68 2.88 0.47 assign (resid 6 and name HN ) (resid 7 and name HN ) 4.58 2.78 0.46 assign (resid 42 and name HN ) (resid 81 and name HA ) 4.51 2.71 0.45 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 4.89 3.09 0.49 assign (resid 6 and name HN ) (resid 91 and name HB2 ) 4.88 3.08 0.49 assign (resid 41 and name HG1* ) (resid 42 and name HN ) 3.07 1.27 0.31 assign (resid 11 and name HN ) (resid 27 and name HN ) 4.66 2.86 0.47 assign (resid 9 and name HN ) (resid 27 and name HN ) 3.79 1.99 0.38 assign (resid 9 and name HB2 ) (resid 27 and name HN ) 4.34 2.54 0.43 assign (resid 26 and name HB ) (resid 27 and name HN ) 4.84 3.04 0.48 assign (resid 10 and name HG11 ) (resid 27 and name HN ) 5.50 3.70 0.55 assign (resid 27 and name HN ) (resid 99 and name HB* ) 5.50 3.70 0.55 assign (resid 26 and name HG2* ) (resid 27 and name HN ) 4.43 2.63 0.44 assign (resid 73 and name HG2 ) (resid 74 and name HN ) 4.42 2.62 0.44 assign (resid 74 and name HN ) (resid 107 and name HD2* ) 4.23 2.43 0.42 assign (resid 18 and name HG2* ) (resid 74 and name HN ) 3.63 1.83 0.36 assign (resid 44 and name HN ) (resid 81 and name HA ) 4.06 2.26 0.41 assign (resid 44 and name HN ) (resid 79 and name HA ) 4.69 2.89 0.47 assign (resid 41 and name HN ) (resid 52 and name HB* ) 5.50 3.70 0.55 assign (resid 44 and name HN ) (resid 81 and name HB* ) 5.06 3.26 0.51 assign (resid 41 and name HN ) (resid 55 and name HG2* ) 4.51 2.71 0.45 assign (resid 41 and name HN ) (resid 53 and name HN ) 3.84 2.04 0.38 assign (resid 41 and name HN ) (resid 42 and name HN ) 4.77 2.97 0.48 assign (resid 41 and name HN ) (resid 53 and name HE3 ) 5.04 3.24 0.50 assign (resid 41 and name HN ) (resid 83 and name HA ) 5.34 3.54 0.53 assign (resid 40 and name HB1 ) (resid 41 and name HN ) 4.29 2.49 0.43 assign (resid 40 and name HB2 ) (resid 41 and name HN ) 4.20 2.40 0.42 assign (resid 40 and name HG2 ) (resid 41 and name HN ) 4.70 2.90 0.47 assign (resid 23 and name HA ) (resid 69 and name HN ) 4.38 2.58 0.44 assign (resid 22 and name HB* ) (resid 69 and name HN ) 4.36 2.56 0.44 assign (resid 21 and name HG ) (resid 69 and name HN ) 4.72 2.92 0.47 assign (resid 21 and name HD1* ) (resid 69 and name HN ) 4.03 2.23 0.40 assign (resid 105 and name HN ) (resid 106 and name HN ) 4.67 2.87 0.47 assign (resid 76 and name HE* ) (resid 105 and name HN ) 5.33 3.53 0.53 assign (resid 103 and name HG1* ) (resid 105 and name HN ) 4.76 2.96 0.48 assign (resid 80 and name HA ) (resid 99 and name HN ) 4.42 2.62 0.44 assign (resid 82 and name HA ) (resid 99 and name HN ) 4.57 2.77 0.46 assign (resid 98 and name HB ) (resid 99 and name HN ) 4.07 2.27 0.41 assign (resid 81 and name HB* ) (resid 99 and name HN ) 3.99 2.19 0.40 assign (resid 82 and name HG2* ) (resid 99 and name HN ) 4.43 2.63 0.44 assign (resid 98 and name HG1* ) (resid 99 and name HN ) 3.29 1.49 0.33 assign (resid 8 and name HG2* ) (resid 99 and name HN ) 3.45 1.65 0.34 assign (resid 102 and name HN ) (resid 103 and name HN ) 4.63 2.83 0.46 assign (resid 101 and name HD* ) (resid 102 and name HN ) 4.58 2.78 0.46 assign (resid 101 and name HB1 ) (resid 102 and name HN ) 4.48 2.68 0.45 assign (resid 101 and name HB2 ) (resid 102 and name HN ) 4.49 2.69 0.45 assign (resid 100 and name HG2* ) (resid 102 and name HN ) 4.56 2.76 0.46 assign (resid 46 and name HN ) (resid 80 and name HN ) 5.50 3.70 0.55 assign (resid 46 and name HN ) (resid 79 and name HA ) 4.77 2.97 0.48 assign (resid 45 and name HB ) (resid 46 and name HN ) 4.71 2.91 0.47 assign (resid 45 and name HG11 ) (resid 46 and name HN ) 5.45 3.65 0.55 assign (resid 45 and name HG2* ) (resid 46 and name HN ) 3.65 1.85 0.37 assign (resid 45 and name HG12 ) (resid 46 and name HN ) 4.83 3.03 0.48 assign (resid 53 and name HB1 ) (resid 53 and name HE1 ) 4.85 3.05 0.48 assign (resid 51 and name HE2 ) (resid 53 and name HE1 ) 5.23 3.43 0.52 assign (resid 51 and name HE1 ) (resid 53 and name HE1 ) 5.23 3.43 0.52 assign (resid 51 and name HD* ) (resid 53 and name HE1 ) 5.46 3.66 0.55 assign (resid 53 and name HE1 ) (resid 65 and name HB2 ) 5.50 3.70 0.55 assign (resid 53 and name HE1 ) (resid 65 and name HB1 ) 4.19 2.39 0.42 assign (resid 80 and name HA ) (resid 101 and name HN ) 4.20 2.40 0.42 assign (resid 100 and name HB ) (resid 101 and name HN ) 4.24 2.44 0.42 assign (resid 79 and name HB ) (resid 101 and name HN ) 4.81 3.01 0.48 assign (resid 100 and name HG2* ) (resid 101 and name HN ) 3.64 1.84 0.36 assign (resid 10 and name HD1* ) (resid 101 and name HN ) 3.97 2.17 0.40 assign (resid 43 and name HN ) (resid 50 and name HN ) 4.82 3.02 0.48 assign (resid 48 and name HG2* ) (resid 50 and name HN ) 5.22 3.42 0.52 assign (resid 49 and name HG ) (resid 50 and name HN ) 4.57 2.77 0.46 assign (resid 45 and name HG11 ) (resid 50 and name HN ) 4.77 2.97 0.48 assign (resid 28 and name HN ) (resid 65 and name HN ) 4.95 3.15 0.49 assign (resid 25 and name HA ) (resid 65 and name HN ) 5.10 3.30 0.51 assign (resid 27 and name HA ) (resid 65 and name HN ) 5.50 3.70 0.55 assign (resid 26 and name HB ) (resid 65 and name HN ) 4.16 2.36 0.42 assign (resid 64 and name HB ) (resid 65 and name HN ) 4.40 2.60 0.44 assign (resid 26 and name HG1* ) (resid 65 and name HN ) 4.74 2.94 0.47 assign (resid 64 and name HG1* ) (resid 65 and name HN ) 3.47 1.67 0.35 assign (resid 79 and name HN ) (resid 101 and name HN ) 4.14 2.34 0.41 assign (resid 79 and name HN ) (resid 102 and name HA ) 4.11 2.31 0.41 assign (resid 79 and name HN ) (resid 101 and name HB1 ) 4.54 2.74 0.45 assign (resid 79 and name HN ) (resid 100 and name HG2* ) 5.50 3.70 0.55 assign (resid 79 and name HN ) (resid 103 and name HG1* ) 5.50 3.70 0.55 assign (resid 10 and name HD1* ) (resid 79 and name HN ) 4.72 2.92 0.47 assign (resid 22 and name HN ) (resid 69 and name HN ) 3.80 2.00 0.38 assign (resid 22 and name HN ) (resid 68 and name HA ) 4.88 3.08 0.49 assign (resid 22 and name HN ) (resid 70 and name HA ) 4.24 2.44 0.42 assign (resid 22 and name HN ) (resid 71 and name HD1 ) 5.03 3.23 0.50 assign (resid 89 and name HB ) (resid 90 and name HN ) 4.47 2.67 0.45 assign (resid 84 and name HB2 ) (resid 97 and name HD22 ) 4.86 3.06 0.49 assign (resid 5 and name HN ) (resid 32 and name HN ) 3.50 1.70 0.35 assign (resid 31 and name HD2* ) (resid 32 and name HN ) 4.80 3.00 0.48 assign (resid 16 and name HG1* ) (resid 17 and name HN ) 3.83 2.03 0.38 assign (resid 45 and name HG2* ) (resid 46 and name HD22 ) 4.83 3.03 0.48 assign (resid 67 and name HB1 ) (resid 68 and name HN ) 4.17 2.37 0.42 assign (resid 49 and name HD2* ) (resid 51 and name HN ) 4.82 3.02 0.48 assign (resid 30 and name HN ) (resid 63 and name HN ) 5.50 3.70 0.55 assign (resid 30 and name HN ) (resid 62 and name HA ) 3.89 2.09 0.39 assign (resid 84 and name HB1 ) (resid 97 and name HD21 ) 4.11 2.31 0.41 assign (resid 84 and name HB1 ) (resid 97 and name HD22 ) 4.11 2.31 0.41 assign (resid 83 and name HG1* ) (resid 97 and name HD22 ) 3.84 2.04 0.38 assign (resid 20 and name HB1 ) (resid 21 and name HN ) 2.98 1.18 0.30 assign (resid 16 and name HN ) (resid 105 and name HA ) 3.56 1.76 0.36 assign (resid 62 and name HG1 ) (resid 63 and name HN ) 3.51 1.71 0.35 assign (resid 62 and name HG2 ) (resid 63 and name HN ) 3.73 1.93 0.37 assign (resid 10 and name HA ) (resid 27 and name HN ) 4.00 2.20 0.40 assign (resid 65 and name HN ) (resid 66 and name HN ) 4.66 2.86 0.47 assign (resid 21 and name HG ) (resid 22 and name HN ) 3.78 1.98 0.38 assign (resid 10 and name HB ) (resid 11 and name HN ) 4.24 2.44 0.42 assign (resid 18 and name HN ) (resid 105 and name HG1* ) 3.40 1.60 0.34 assign (resid 79 and name HN ) (resid 103 and name HN ) 4.54 2.74 0.45 assign (resid 64 and name HN ) (resid 65 and name HN ) 4.35 2.55 0.44 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.36 2.56 0.44 assign (resid 5 and name HB2 ) (resid 32 and name HN ) 4.70 2.90 0.47 assign (resid 4 and name HG2 ) (resid 92 and name HN ) 5.50 3.70 0.55 assign (resid 5 and name HA ) (resid 92 and name HN ) 3.64 1.84 0.36 assign (resid 41 and name HG2* ) (resid 55 and name HN ) 5.17 3.37 0.52 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 3.67 1.87 0.37 assign (resid 44 and name HD* ) (resid 80 and name HB2 ) 4.21 2.41 0.42 assign (resid 73 and name HA ) (resid 73 and name HG1 ) 4.14 2.34 0.41 assign (resid 51 and name HN ) (resid 52 and name HB* ) 5.27 3.47 0.53 assign (resid 52 and name HB* ) (resid 53 and name HE3 ) 5.50 3.70 0.55 assign (resid 53 and name HZ2 ) (resid 67 and name HB2 ) 4.55 2.75 0.46 assign (resid 72 and name HA ) (resid 72 and name HB ) 2.74 0.94 0.27 assign (resid 62 and name HA ) (resid 62 and name HG1 ) 4.12 2.32 0.41 assign (resid 107 and name HA ) (resid 107 and name HB* ) 2.99 1.19 0.30 assign (resid 78 and name HA ) (resid 103 and name HG2* ) 5.01 3.21 0.50 assign (resid 63 and name HA ) (resid 63 and name HG* ) 3.25 1.45 0.33 assign (resid 2 and name HA ) (resid 2 and name HG* ) 3.55 1.75 0.35 assign (resid 8 and name HA ) (resid 8 and name HG1* ) 3.26 1.46 0.33 assign (resid 11 and name HA ) (resid 11 and name HG2 ) 4.09 2.29 0.41 assign (resid 20 and name HA ) (resid 20 and name HG1 ) 3.91 2.11 0.39 assign (resid 28 and name HA ) (resid 28 and name HG1* ) 3.27 1.47 0.33 assign (resid 43 and name HA ) (resid 43 and name HG2* ) 3.50 1.70 0.35 assign (resid 45 and name HA ) (resid 45 and name HG2* ) 3.45 1.65 0.34 assign (resid 48 and name HA ) (resid 48 and name HG2* ) 3.24 1.44 0.32 assign (resid 51 and name HA ) (resid 51 and name HG2 ) 4.05 2.25 0.41 assign (resid 60 and name HA ) (resid 60 and name HG2 ) 3.92 2.12 0.39 assign (resid 61 and name HA ) (resid 61 and name HG2 ) 3.85 2.05 0.38 assign (resid 62 and name HA ) (resid 62 and name HG2 ) 3.76 1.96 0.38 assign (resid 64 and name HA ) (resid 64 and name HG2* ) 3.29 1.49 0.33 assign (resid 73 and name HA ) (resid 73 and name HG2 ) 4.14 2.34 0.41 assign (resid 78 and name HA ) (resid 78 and name HG2 ) 3.86 2.06 0.39 assign (resid 83 and name HA ) (resid 83 and name HG2* ) 3.31 1.51 0.33 assign (resid 105 and name HA ) (resid 105 and name HG2* ) 3.34 1.54 0.33 assign (resid 108 and name HA ) (resid 108 and name HG2 ) 3.89 2.09 0.39 assign (resid 11 and name HA ) (resid 11 and name HG1 ) 4.09 2.29 0.41 assign (resid 20 and name HA ) (resid 20 and name HG2 ) 3.89 2.09 0.39 assign (resid 23 and name HA ) (resid 23 and name HG2 ) 3.84 2.04 0.38 assign (resid 29 and name HA ) (resid 29 and name HG1 ) 3.92 2.12 0.39 assign (resid 40 and name HA ) (resid 40 and name HG2 ) 4.04 2.24 0.40 assign (resid 51 and name HA ) (resid 51 and name HG1 ) 3.76 1.96 0.38 assign (resid 60 and name HA ) (resid 60 and name HG1 ) 3.92 2.12 0.39 assign (resid 61 and name HA ) (resid 61 and name HG1 ) 3.85 2.05 0.38 assign (resid 70 and name HG2* ) (resid 71 and name HA ) 4.93 3.13 0.49 assign (resid 71 and name HA ) (resid 105 and name HG1* ) 5.31 3.51 0.53 assign (resid 78 and name HA ) (resid 78 and name HG1 ) 3.86 2.06 0.39 assign (resid 85 and name HA ) (resid 85 and name HG* ) 3.31 1.51 0.33 assign (resid 4 and name HG2 ) (resid 91 and name HA ) 4.17 2.37 0.42 assign (resid 21 and name HA ) (resid 21 and name HG ) 3.69 1.89 0.37 assign (resid 31 and name HA ) (resid 31 and name HG ) 3.78 1.98 0.38 assign (resid 49 and name HA ) (resid 49 and name HG ) 4.21 2.41 0.42 assign (resid 65 and name HA ) (resid 65 and name HG ) 3.99 2.19 0.40 assign (resid 107 and name HA ) (resid 107 and name HG ) 3.58 1.78 0.36 assign (resid 10 and name HA ) (resid 10 and name HG12 ) 3.79 1.99 0.38 assign (resid 11 and name HA ) (resid 11 and name HD2 ) 4.77 2.97 0.48 assign (resid 20 and name HA ) (resid 20 and name HD2 ) 3.12 1.32 0.31 assign (resid 31 and name HA ) (resid 31 and name HD2* ) 2.92 1.12 0.29 assign (resid 107 and name HA ) (resid 107 and name HD2* ) 3.01 1.21 0.30 assign (resid 29 and name HA ) (resid 29 and name HD1 ) 4.21 2.41 0.42 assign (resid 51 and name HA ) (resid 51 and name HD* ) 3.59 1.79 0.36 assign (resid 34 and name HA ) (resid 34 and name HG11 ) 4.09 2.29 0.41 assign (resid 45 and name HA ) (resid 45 and name HG11 ) 3.96 2.16 0.40 assign (resid 36 and name HA ) (resid 36 and name HG1* ) 3.22 1.42 0.32 assign (resid 41 and name HA ) (resid 41 and name HG1* ) 3.33 1.53 0.33 assign (resid 83 and name HA ) (resid 83 and name HG1* ) 3.55 1.75 0.35 assign (resid 89 and name HA ) (resid 89 and name HG1* ) 3.48 1.68 0.35 assign (resid 105 and name HA ) (resid 105 and name HG1* ) 3.43 1.63 0.34 assign (resid 55 and name HA ) (resid 55 and name HG1* ) 3.24 1.44 0.32 assign (resid 50 and name HA ) (resid 50 and name HE* ) 4.94 3.14 0.49 assign (resid 53 and name HA ) (resid 53 and name HE3 ) 4.53 2.73 0.45 assign (resid 28 and name HN ) (resid 28 and name HB ) 3.99 2.19 0.40 assign (resid 70 and name HN ) (resid 70 and name HB ) 3.72 1.92 0.37 assign (resid 56 and name HA ) (resid 56 and name HB* ) 3.00 1.20 0.30 assign (resid 6 and name HD2* ) (resid 36 and name HB ) 3.63 1.83 0.36 assign (resid 62 and name HB1 ) (resid 62 and name HG2 ) 2.68 0.88 0.27 assign (resid 6 and name HB2 ) (resid 83 and name HG1* ) 3.52 1.72 0.35 assign (resid 11 and name HB1 ) (resid 11 and name HD2 ) 4.08 2.28 0.41 assign (resid 20 and name HB1 ) (resid 20 and name HD2 ) 3.34 1.54 0.33 assign (resid 29 and name HB1 ) (resid 29 and name HD1 ) 3.41 1.61 0.34 assign (resid 51 and name HB2 ) (resid 51 and name HD* ) 3.74 1.94 0.37 assign (resid 21 and name HN ) (resid 21 and name HG ) 4.70 2.90 0.47 assign (resid 57 and name HA ) (resid 57 and name HG ) 4.27 2.47 0.43 assign (resid 92 and name HA ) (resid 92 and name HG ) 4.22 2.42 0.42 assign (resid 23 and name HA ) (resid 23 and name HG1 ) 4.14 2.34 0.41 assign (resid 108 and name HA ) (resid 108 and name HG1 ) 3.89 2.09 0.39 assign (resid 11 and name HN ) (resid 11 and name HG2 ) 4.92 3.12 0.49 assign (resid 20 and name HN ) (resid 20 and name HG1 ) 4.36 2.56 0.44 assign (resid 25 and name HN ) (resid 25 and name HG2 ) 4.46 2.66 0.45 assign (resid 61 and name HN ) (resid 61 and name HG2 ) 4.80 3.00 0.48 assign (resid 62 and name HN ) (resid 62 and name HG2 ) 4.58 2.78 0.46 assign (resid 63 and name HN ) (resid 63 and name HG* ) 4.13 2.33 0.41 assign (resid 76 and name HN ) (resid 76 and name HG2 ) 4.71 2.91 0.47 assign (resid 108 and name HN ) (resid 108 and name HG2 ) 3.97 2.17 0.40 assign (resid 23 and name HN ) (resid 23 and name HG2 ) 4.46 2.66 0.45 assign (resid 62 and name HN ) (resid 62 and name HG1 ) 5.01 3.21 0.50 assign (resid 73 and name HN ) (resid 73 and name HG1 ) 4.71 2.91 0.47 assign (resid 26 and name HG2* ) (resid 65 and name HB2 ) 3.03 1.23 0.30 assign (resid 71 and name HG1 ) (resid 105 and name HG2* ) 3.30 1.50 0.33 assign (resid 74 and name HB1 ) (resid 74 and name HG1 ) 3.00 1.20 0.30 assign (resid 76 and name HG1 ) (resid 76 and name HE* ) 3.78 1.98 0.38 assign (resid 74 and name HB1 ) (resid 74 and name HG2 ) 3.00 1.20 0.30 assign (resid 10 and name HG2* ) (resid 10 and name HG11 ) 4.02 2.22 0.40 assign (resid 34 and name HG2* ) (resid 34 and name HG11 ) 3.46 1.66 0.35 assign (resid 43 and name HG1* ) (resid 45 and name HG11 ) 3.99 2.19 0.40 assign (resid 79 and name HG2* ) (resid 79 and name HG11 ) 3.89 2.09 0.39 assign (resid 38 and name HN ) (resid 38 and name HB1 ) 3.94 2.14 0.39 assign (resid 42 and name HE ) (resid 52 and name HB* ) 4.23 2.43 0.42 assign (resid 56 and name HN ) (resid 56 and name HB* ) 3.19 1.39 0.32 assign (resid 30 and name HN ) (resid 57 and name HB1 ) 4.82 3.02 0.48 assign (resid 11 and name HB2 ) (resid 11 and name HD2 ) 3.27 1.47 0.33 assign (resid 92 and name HB* ) (resid 92 and name HD2* ) 3.33 1.53 0.33 assign (resid 20 and name HB2 ) (resid 20 and name HD2 ) 3.79 1.99 0.38 assign (resid 29 and name HB2 ) (resid 29 and name HD1 ) 3.25 1.45 0.33 assign (resid 40 and name HB1 ) (resid 40 and name HD2 ) 3.89 2.09 0.39 assign (resid 40 and name HB1 ) (resid 40 and name HD1 ) 3.89 2.09 0.39 assign (resid 4 and name HG1 ) (resid 36 and name HG2* ) 3.12 1.32 0.31 assign (resid 88 and name HA ) (resid 88 and name HG2* ) 3.04 1.24 0.30 assign (resid 20 and name HG1 ) (resid 20 and name HE* ) 3.41 1.61 0.34 assign (resid 51 and name HG2 ) (resid 51 and name HE2 ) 4.15 2.35 0.42 assign (resid 60 and name HG2 ) (resid 60 and name HE* ) 3.49 1.69 0.35 assign (resid 20 and name HG2 ) (resid 20 and name HE* ) 3.40 1.60 0.34 assign (resid 29 and name HG2 ) (resid 29 and name HE2 ) 3.49 1.69 0.35 assign (resid 40 and name HG2 ) (resid 40 and name HE* ) 3.38 1.58 0.34 assign (resid 51 and name HG1 ) (resid 51 and name HE2 ) 4.11 2.31 0.41 assign (resid 60 and name HG1 ) (resid 60 and name HE* ) 3.49 1.69 0.35 assign (resid 63 and name HG* ) (resid 63 and name HE2 ) 3.47 1.67 0.35 assign (resid 29 and name HG2 ) (resid 29 and name HE1 ) 3.49 1.69 0.35 assign (resid 51 and name HG2 ) (resid 51 and name HE1 ) 4.15 2.35 0.42 assign (resid 51 and name HG1 ) (resid 51 and name HE1 ) 4.11 2.31 0.41 assign (resid 63 and name HG* ) (resid 63 and name HE1 ) 3.47 1.67 0.35 assign (resid 20 and name HB1 ) (resid 20 and name HE* ) 2.99 1.19 0.30 assign (resid 40 and name HG1 ) (resid 40 and name HE* ) 3.10 1.30 0.31 assign (resid 20 and name HD2 ) (resid 20 and name HE* ) 2.96 1.16 0.30 assign (resid 6 and name HD1* ) (resid 36 and name HG1* ) 3.00 1.20 0.30 assign (resid 41 and name HG1* ) (resid 65 and name HD1* ) 3.06 1.26 0.31 assign (resid 65 and name HB1 ) (resid 65 and name HD2* ) 3.09 1.29 0.31 assign (resid 16 and name HG1* ) (resid 22 and name HB* ) 3.04 1.24 0.30 assign (resid 57 and name HB1 ) (resid 57 and name HD2* ) 3.17 1.37 0.32 assign (resid 57 and name HD2* ) (resid 63 and name HB2 ) 3.34 1.54 0.33 assign (resid 6 and name HB2 ) (resid 6 and name HD1* ) 3.48 1.68 0.35 assign (resid 21 and name HB1 ) (resid 21 and name HD1* ) 3.26 1.46 0.33 assign (resid 31 and name HB* ) (resid 31 and name HD1* ) 2.88 1.08 0.29 assign (resid 49 and name HB2 ) (resid 49 and name HD1* ) 3.79 1.99 0.38 assign (resid 57 and name HB2 ) (resid 57 and name HD1* ) 3.48 1.68 0.35 assign (resid 65 and name HB2 ) (resid 65 and name HD1* ) 3.13 1.33 0.31 assign (resid 6 and name HB2 ) (resid 6 and name HD2* ) 3.42 1.62 0.34 assign (resid 21 and name HB1 ) (resid 21 and name HD2* ) 3.10 1.30 0.31 assign (resid 49 and name HB2 ) (resid 49 and name HD2* ) 3.48 1.68 0.35 assign (resid 57 and name HB2 ) (resid 57 and name HD2* ) 3.22 1.42 0.32 assign (resid 55 and name HG1* ) (resid 65 and name HD2* ) 3.36 1.56 0.34 assign (resid 65 and name HB2 ) (resid 65 and name HD2* ) 3.80 2.00 0.38 assign (resid 107 and name HB* ) (resid 107 and name HD2* ) 2.71 0.91 0.27 assign (resid 6 and name HB1 ) (resid 6 and name HD1* ) 3.53 1.73 0.35 assign (resid 21 and name HB2 ) (resid 21 and name HD1* ) 2.98 1.18 0.30 assign (resid 49 and name HB1 ) (resid 49 and name HD1* ) 3.79 1.99 0.38 assign (resid 57 and name HB1 ) (resid 57 and name HD1* ) 3.42 1.62 0.34 assign (resid 92 and name HB* ) (resid 92 and name HD1* ) 2.99 1.19 0.30 assign (resid 107 and name HB* ) (resid 107 and name HD1* ) 2.87 1.07 0.29 assign (resid 6 and name HB1 ) (resid 6 and name HD2* ) 3.31 1.51 0.33 assign (resid 21 and name HB2 ) (resid 21 and name HD2* ) 3.21 1.41 0.32 assign (resid 31 and name HB* ) (resid 31 and name HD2* ) 3.23 1.43 0.32 assign (resid 49 and name HB1 ) (resid 49 and name HD2* ) 3.48 1.68 0.35 assign (resid 11 and name HB2 ) (resid 11 and name HD1 ) 3.27 1.47 0.33 assign (resid 11 and name HB1 ) (resid 11 and name HD1 ) 4.08 2.28 0.41 assign (resid 60 and name HB1 ) (resid 60 and name HD* ) 3.39 1.59 0.34 assign (resid 29 and name HB2 ) (resid 29 and name HD2 ) 3.67 1.87 0.37 assign (resid 60 and name HB2 ) (resid 60 and name HD* ) 3.39 1.59 0.34 assign (resid 10 and name HB ) (resid 10 and name HD1* ) 3.10 1.30 0.31 assign (resid 34 and name HB ) (resid 34 and name HD1* ) 3.56 1.76 0.36 assign (resid 45 and name HB ) (resid 45 and name HD1* ) 3.47 1.67 0.35 assign (resid 79 and name HB ) (resid 79 and name HD1* ) 3.69 1.89 0.37 assign (resid 10 and name HG2* ) (resid 10 and name HD1* ) 3.09 1.29 0.31 assign (resid 34 and name HG2* ) (resid 34 and name HD1* ) 3.37 1.57 0.34 assign (resid 45 and name HG2* ) (resid 45 and name HD1* ) 3.01 1.21 0.30 assign (resid 79 and name HG2* ) (resid 79 and name HD1* ) 3.01 1.21 0.30 assign (resid 7 and name HA ) (resid 7 and name HG2* ) 3.82 2.02 0.38 assign (resid 10 and name HA ) (resid 10 and name HG2* ) 3.35 1.55 0.34 assign (resid 15 and name HA ) (resid 15 and name HG2* ) 3.18 1.38 0.32 assign (resid 16 and name HA ) (resid 16 and name HG2* ) 3.34 1.54 0.33 assign (resid 18 and name HA ) (resid 18 and name HG2* ) 3.38 1.58 0.34 assign (resid 26 and name HA ) (resid 26 and name HG2* ) 3.43 1.63 0.34 assign (resid 34 and name HA ) (resid 34 and name HG2* ) 3.52 1.72 0.35 assign (resid 36 and name HA ) (resid 36 and name HG2* ) 3.34 1.54 0.33 assign (resid 39 and name HA ) (resid 39 and name HG2* ) 3.45 1.65 0.34 assign (resid 41 and name HA ) (resid 41 and name HG2* ) 3.65 1.85 0.37 assign (resid 54 and name HA ) (resid 54 and name HG2* ) 3.26 1.46 0.33 assign (resid 55 and name HA ) (resid 55 and name HG2* ) 3.84 2.04 0.38 assign (resid 66 and name HA ) (resid 66 and name HG2* ) 3.43 1.63 0.34 assign (resid 70 and name HA ) (resid 70 and name HG2* ) 3.35 1.55 0.34 assign (resid 72 and name HA ) (resid 72 and name HG2* ) 2.74 0.94 0.27 assign (resid 79 and name HA ) (resid 79 and name HG2* ) 3.50 1.70 0.35 assign (resid 82 and name HA ) (resid 82 and name HG2* ) 3.42 1.62 0.34 assign (resid 89 and name HA ) (resid 89 and name HG2* ) 3.48 1.68 0.35 assign (resid 90 and name HA ) (resid 90 and name HG2* ) 3.01 1.21 0.30 assign (resid 98 and name HA ) (resid 98 and name HG2* ) 3.31 1.51 0.33 assign (resid 100 and name HA ) (resid 100 and name HG2* ) 3.32 1.52 0.33 assign (resid 103 and name HA ) (resid 103 and name HG2* ) 3.52 1.72 0.35 assign (resid 106 and name HA ) (resid 106 and name HG2* ) 3.74 1.94 0.37 assign (resid 18 and name HN ) (resid 18 and name HG2* ) 3.76 1.96 0.38 assign (resid 26 and name HN ) (resid 26 and name HG2* ) 3.46 1.66 0.35 assign (resid 54 and name HN ) (resid 54 and name HG2* ) 4.04 2.24 0.40 assign (resid 55 and name HN ) (resid 55 and name HG2* ) 3.24 1.44 0.32 assign (resid 44 and name HN ) (resid 79 and name HG2* ) 4.18 2.38 0.42 assign (resid 82 and name HN ) (resid 82 and name HG2* ) 3.67 1.87 0.37 assign (resid 90 and name HN ) (resid 90 and name HG2* ) 3.05 1.25 0.31 assign (resid 100 and name HN ) (resid 100 and name HG2* ) 4.06 2.26 0.41 assign (resid 3 and name HN ) (resid 34 and name HG2* ) 5.03 3.23 0.50 assign (resid 33 and name HN ) (resid 34 and name HG2* ) 5.40 3.60 0.54 assign (resid 36 and name HN ) (resid 36 and name HG2* ) 3.51 1.71 0.35 assign (resid 16 and name HG2* ) (resid 24 and name HH ) 4.70 2.90 0.47 assign (resid 42 and name HN ) (resid 43 and name HG2* ) 4.50 2.70 0.45 assign (resid 81 and name HN ) (resid 82 and name HG2* ) 4.54 2.74 0.45 assign (resid 97 and name HN ) (resid 98 and name HG2* ) 4.03 2.23 0.40 assign (resid 45 and name HG2* ) (resid 45 and name HG11 ) 3.88 2.08 0.39 assign (resid 79 and name HG2* ) (resid 79 and name HG12 ) 3.63 1.83 0.36 assign (resid 10 and name HG2* ) (resid 10 and name HG12 ) 3.28 1.48 0.33 assign (resid 34 and name HG2* ) (resid 34 and name HG12 ) 3.43 1.63 0.34 assign (resid 45 and name HG2* ) (resid 45 and name HG12 ) 3.52 1.72 0.35 assign (resid 43 and name HG1* ) (resid 79 and name HG2* ) 3.02 1.22 0.30 assign (resid 10 and name HN ) (resid 10 and name HD1* ) 3.89 2.09 0.39 assign (resid 21 and name HN ) (resid 21 and name HD1* ) 4.16 2.36 0.42 assign (resid 31 and name HN ) (resid 31 and name HD1* ) 4.53 2.73 0.45 assign (resid 45 and name HN ) (resid 45 and name HD1* ) 4.63 2.83 0.46 assign (resid 65 and name HN ) (resid 65 and name HD1* ) 4.15 2.35 0.42 assign (resid 38 and name HA ) (resid 39 and name HN ) 3.24 1.44 0.32 assign (resid 69 and name HA ) (resid 70 and name HN ) 3.37 1.57 0.34 assign (resid 8 and name HN ) (resid 97 and name HA ) 3.91 2.11 0.39 assign (resid 16 and name HA ) (resid 17 and name HA2 ) 4.60 2.80 0.46 assign (resid 34 and name HA ) (resid 59 and name HA ) 4.17 2.37 0.42 assign (resid 16 and name HA ) (resid 17 and name HA1 ) 4.58 2.78 0.46 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 4.62 2.82 0.46 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 4.59 2.79 0.46 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 4.46 2.66 0.45 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 4.70 2.90 0.47 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 4.45 2.65 0.44 assign (resid 61 and name HB2 ) (resid 62 and name HN ) 4.08 2.28 0.41 assign (resid 62 and name HB2 ) (resid 63 and name HN ) 4.17 2.37 0.42 assign (resid 63 and name HB2 ) (resid 64 and name HN ) 4.47 2.67 0.45 assign (resid 73 and name HB1 ) (resid 74 and name HN ) 4.30 2.50 0.43 assign (resid 104 and name HB1 ) (resid 105 and name HN ) 4.65 2.85 0.47 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.01 2.21 0.40 assign (resid 21 and name HB1 ) (resid 22 and name HN ) 5.03 3.23 0.50 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 4.64 2.84 0.46 assign (resid 57 and name HB2 ) (resid 58 and name HN ) 4.93 3.13 0.49 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 4.39 2.59 0.44 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 4.63 2.83 0.46 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 4.60 2.80 0.46 assign (resid 63 and name HB1 ) (resid 64 and name HN ) 3.90 2.10 0.39 assign (resid 69 and name HB2 ) (resid 70 and name HN ) 4.90 3.10 0.49 assign (resid 73 and name HB2 ) (resid 74 and name HN ) 4.30 2.50 0.43 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 4.13 2.33 0.41 assign (resid 85 and name HB1 ) (resid 86 and name HN ) 4.89 3.09 0.49 assign (resid 104 and name HB2 ) (resid 105 and name HN ) 4.65 2.85 0.47 assign (resid 7 and name HB ) (resid 8 and name HN ) 3.80 2.00 0.38 assign (resid 18 and name HB ) (resid 107 and name HN ) 4.75 2.95 0.47 assign (resid 22 and name HB* ) (resid 23 and name HN ) 3.50 1.70 0.35 assign (resid 28 and name HB ) (resid 29 and name HN ) 4.06 2.26 0.41 assign (resid 43 and name HB ) (resid 44 and name HN ) 4.66 2.86 0.47 assign (resid 48 and name HB ) (resid 49 and name HN ) 4.41 2.61 0.44 assign (resid 54 and name HB ) (resid 55 and name HN ) 4.38 2.58 0.44 assign (resid 88 and name HB ) (resid 89 and name HN ) 4.85 3.05 0.48 assign (resid 10 and name HN ) (resid 99 and name HB* ) 3.31 1.51 0.33 assign (resid 2 and name HG* ) (resid 3 and name HN ) 3.96 2.16 0.40 assign (resid 13 and name HG2 ) (resid 24 and name HH ) 4.17 2.37 0.42 assign (resid 23 and name HG1 ) (resid 24 and name HN ) 4.84 3.04 0.48 assign (resid 40 and name HG1 ) (resid 41 and name HN ) 5.05 3.25 0.51 assign (resid 61 and name HG2 ) (resid 62 and name HN ) 3.75 1.95 0.38 assign (resid 63 and name HG* ) (resid 64 and name HN ) 4.43 2.63 0.44 assign (resid 74 and name HG2 ) (resid 75 and name HN ) 5.25 3.45 0.53 assign (resid 86 and name HN ) (resid 86 and name HG1 ) 4.00 2.20 0.40 assign (resid 11 and name HG1 ) (resid 12 and name HN ) 4.51 2.71 0.45 assign (resid 23 and name HG2 ) (resid 24 and name HN ) 4.49 2.69 0.45 assign (resid 37 and name HG1 ) (resid 38 and name HN ) 4.34 2.54 0.43 assign (resid 51 and name HG1 ) (resid 52 and name HN ) 4.49 2.69 0.45 assign (resid 73 and name HG1 ) (resid 74 and name HN ) 4.42 2.62 0.44 assign (resid 74 and name HG1 ) (resid 75 and name HN ) 5.25 3.45 0.53 assign (resid 85 and name HG* ) (resid 86 and name HN ) 4.70 2.90 0.47 assign (resid 6 and name HA ) (resid 6 and name HD1* ) 4.36 2.56 0.44 assign (resid 10 and name HA ) (resid 10 and name HD1* ) 3.96 2.16 0.40 assign (resid 21 and name HA ) (resid 21 and name HD1* ) 3.23 1.43 0.32 assign (resid 31 and name HA ) (resid 31 and name HD1* ) 4.02 2.22 0.40 assign (resid 34 and name HA ) (resid 34 and name HD1* ) 3.80 2.00 0.38 assign (resid 45 and name HA ) (resid 45 and name HD1* ) 4.27 2.47 0.43 assign (resid 49 and name HA ) (resid 49 and name HD1* ) 3.30 1.50 0.33 assign (resid 57 and name HA ) (resid 57 and name HD1* ) 4.06 2.26 0.41 assign (resid 65 and name HA ) (resid 65 and name HD1* ) 4.19 2.39 0.42 assign (resid 79 and name HA ) (resid 79 and name HD1* ) 4.42 2.62 0.44 assign (resid 92 and name HA ) (resid 92 and name HD2* ) 3.11 1.31 0.31 assign (resid 107 and name HA ) (resid 107 and name HD1* ) 4.04 2.24 0.40 assign (resid 6 and name HA ) (resid 6 and name HD2* ) 3.27 1.47 0.33 assign (resid 21 and name HA ) (resid 21 and name HD2* ) 4.03 2.23 0.40 assign (resid 16 and name HA ) (resid 16 and name HG1* ) 3.20 1.40 0.32 assign (resid 49 and name HA ) (resid 49 and name HD2* ) 4.24 2.44 0.42 assign (resid 57 and name HA ) (resid 57 and name HD2* ) 3.19 1.39 0.32 assign (resid 65 and name HA ) (resid 65 and name HD2* ) 3.10 1.30 0.31 assign (resid 17 and name HA2 ) (resid 106 and name HN ) 4.05 2.25 0.41 assign (resid 35 and name HA2 ) (resid 36 and name HN ) 3.39 1.59 0.34 assign (resid 44 and name HE* ) (resid 81 and name HA ) 5.50 3.70 0.55 assign (resid 43 and name HA ) (resid 81 and name HA ) 3.61 1.81 0.36 assign (resid 8 and name HG2* ) (resid 81 and name HA ) 4.67 2.87 0.47 assign (resid 10 and name HG11 ) (resid 80 and name HA ) 4.85 3.05 0.48 assign (resid 80 and name HA ) (resid 81 and name HB* ) 4.17 2.37 0.42 assign (resid 80 and name HA ) (resid 100 and name HG2* ) 4.94 3.14 0.49 assign (resid 10 and name HD1* ) (resid 80 and name HA ) 3.95 2.15 0.40 assign (resid 79 and name HG2* ) (resid 80 and name HA ) 4.50 2.70 0.45 assign (resid 23 and name HA ) (resid 68 and name HA ) 3.63 1.83 0.36 assign (resid 23 and name HG1 ) (resid 68 and name HA ) 4.60 2.80 0.46 assign (resid 23 and name HG2 ) (resid 68 and name HA ) 4.50 2.70 0.45 assign (resid 23 and name HB2 ) (resid 68 and name HA ) 5.50 3.70 0.55 assign (resid 41 and name HN ) (resid 52 and name HA ) 5.50 3.70 0.55 assign (resid 52 and name HA ) (resid 53 and name HE3 ) 4.09 2.29 0.41 assign (resid 52 and name HA ) (resid 53 and name HZ3 ) 4.84 3.04 0.48 assign (resid 42 and name HA ) (resid 52 and name HA ) 3.81 2.01 0.38 assign (resid 51 and name HA ) (resid 52 and name HA ) 4.86 3.06 0.49 assign (resid 41 and name HG1* ) (resid 52 and name HA ) 5.30 3.50 0.53 assign (resid 49 and name HD1* ) (resid 52 and name HA ) 4.56 2.76 0.46 assign (resid 7 and name HN ) (resid 30 and name HA ) 4.31 2.51 0.43 assign (resid 30 and name HA ) (resid 31 and name HB* ) 4.42 2.62 0.44 assign (resid 6 and name HG ) (resid 30 and name HA ) 4.56 2.76 0.46 assign (resid 30 and name HA ) (resid 57 and name HB1 ) 5.15 3.35 0.52 assign (resid 7 and name HG2* ) (resid 30 and name HA ) 4.70 2.90 0.47 assign (resid 30 and name HA ) (resid 57 and name HD1* ) 4.85 3.05 0.48 assign (resid 40 and name HA ) (resid 53 and name HN ) 5.28 3.48 0.53 assign (resid 40 and name HA ) (resid 41 and name HG2* ) 4.10 2.30 0.41 assign (resid 102 and name HA ) (resid 103 and name HB ) 4.94 3.14 0.49 assign (resid 102 and name HA ) (resid 103 and name HG2* ) 4.28 2.48 0.43 assign (resid 76 and name HA ) (resid 105 and name HG2* ) 4.62 2.82 0.46 assign (resid 8 and name HA ) (resid 27 and name HN ) 4.73 2.93 0.47 assign (resid 8 and name HA ) (resid 28 and name HA ) 3.55 1.75 0.35 assign (resid 8 and name HA ) (resid 9 and name HB2 ) 4.37 2.57 0.44 assign (resid 8 and name HA ) (resid 99 and name HB* ) 4.78 2.98 0.48 assign (resid 7 and name HG2* ) (resid 8 and name HA ) 4.57 2.77 0.46 assign (resid 8 and name HA ) (resid 28 and name HG1* ) 3.70 1.90 0.37 assign (resid 82 and name HA ) (resid 98 and name HA ) 3.64 1.84 0.36 assign (resid 82 and name HA ) (resid 98 and name HG2* ) 3.59 1.79 0.36 assign (resid 25 and name HB2 ) (resid 66 and name HA ) 5.50 3.70 0.55 assign (resid 26 and name HG2* ) (resid 66 and name HA ) 4.73 2.93 0.47 assign (resid 25 and name HA ) (resid 66 and name HA ) 3.81 2.01 0.38 assign (resid 15 and name HA ) (resid 103 and name HG1* ) 4.11 2.31 0.41 assign (resid 15 and name HA ) (resid 106 and name HG2* ) 4.86 3.06 0.49 assign (resid 42 and name HN ) (resid 83 and name HA ) 4.92 3.12 0.49 assign (resid 41 and name HA ) (resid 83 and name HA ) 3.98 2.18 0.40 assign (resid 83 and name HA ) (resid 84 and name HA ) 4.43 2.63 0.44 assign (resid 53 and name HH2 ) (resid 67 and name HA ) 5.14 3.34 0.51 assign (resid 104 and name HA ) (resid 105 and name HB ) 4.83 3.03 0.48 assign (resid 103 and name HG1* ) (resid 104 and name HA ) 4.61 2.81 0.46 assign (resid 104 and name HA ) (resid 105 and name HG2* ) 4.13 2.33 0.41 assign (resid 41 and name HA ) (resid 83 and name HB ) 4.57 2.77 0.46 assign (resid 41 and name HA ) (resid 81 and name HB* ) 4.55 2.75 0.46 assign (resid 81 and name HN ) (resid 98 and name HA ) 4.71 2.91 0.47 assign (resid 97 and name HN ) (resid 98 and name HA ) 5.40 3.60 0.54 assign (resid 41 and name HN ) (resid 54 and name HA ) 4.10 2.30 0.41 assign (resid 40 and name HA ) (resid 54 and name HA ) 3.62 1.82 0.36 assign (resid 40 and name HG2 ) (resid 54 and name HA ) 4.48 2.68 0.45 assign (resid 54 and name HA ) (resid 55 and name HG1* ) 4.41 2.61 0.44 assign (resid 80 and name HA ) (resid 100 and name HA ) 3.66 1.86 0.37 assign (resid 100 and name HA ) (resid 101 and name HB1 ) 4.76 2.96 0.48 assign (resid 99 and name HB* ) (resid 100 and name HA ) 4.44 2.64 0.44 assign (resid 99 and name HA ) (resid 100 and name HG2* ) 5.50 3.70 0.55 assign (resid 98 and name HG1* ) (resid 99 and name HA ) 4.34 2.54 0.43 assign (resid 8 and name HG2* ) (resid 99 and name HA ) 4.20 2.40 0.42 assign (resid 29 and name HA ) (resid 62 and name HA ) 3.52 1.72 0.35 assign (resid 29 and name HA ) (resid 30 and name HB2 ) 4.93 3.13 0.49 assign (resid 29 and name HA ) (resid 61 and name HB1 ) 5.29 3.49 0.53 assign (resid 29 and name HA ) (resid 62 and name HG2 ) 5.50 3.70 0.55 assign (resid 29 and name HA ) (resid 62 and name HG1 ) 4.39 2.59 0.44 assign (resid 28 and name HB ) (resid 29 and name HA ) 4.74 2.94 0.47 assign (resid 29 and name HA ) (resid 62 and name HB2 ) 5.01 3.21 0.50 assign (resid 6 and name HD2* ) (resid 29 and name HA ) 4.96 3.16 0.50 assign (resid 6 and name HA ) (resid 31 and name HN ) 4.65 2.85 0.47 assign (resid 6 and name HA ) (resid 29 and name HN ) 4.66 2.86 0.47 assign (resid 29 and name HB2 ) (resid 62 and name HA ) 4.50 2.70 0.45 assign (resid 29 and name HB1 ) (resid 62 and name HA ) 4.48 2.68 0.45 assign (resid 62 and name HA ) (resid 63 and name HB2 ) 4.71 2.91 0.47 assign (resid 62 and name HA ) (resid 63 and name HG* ) 5.09 3.29 0.51 assign (resid 95 and name HA ) (resid 98 and name HG2* ) 5.20 3.40 0.52 assign (resid 28 and name HA ) (resid 29 and name HG1 ) 4.83 3.03 0.48 assign (resid 43 and name HA ) (resid 44 and name HD* ) 4.51 2.71 0.45 assign (resid 9 and name HB1 ) (resid 10 and name HA ) 4.93 3.13 0.49 assign (resid 53 and name HA ) (resid 54 and name HB ) 4.83 3.03 0.48 assign (resid 53 and name HA ) (resid 55 and name HG1* ) 5.08 3.28 0.51 assign (resid 69 and name HA ) (resid 70 and name HB ) 4.71 2.91 0.47 assign (resid 14 and name HA ) (resid 101 and name HE* ) 3.64 1.84 0.36 assign (resid 14 and name HA ) (resid 101 and name HZ ) 4.06 2.26 0.41 assign (resid 14 and name HA ) (resid 101 and name HD* ) 5.05 3.25 0.51 assign (resid 14 and name HA ) (resid 103 and name HG2* ) 3.75 1.95 0.38 assign (resid 14 and name HA ) (resid 16 and name HG1* ) 4.88 3.08 0.49 assign (resid 5 and name HA ) (resid 93 and name HN ) 4.66 2.86 0.47 assign (resid 5 and name HA ) (resid 91 and name HB2 ) 4.22 2.42 0.42 assign (resid 5 and name HA ) (resid 91 and name HB1 ) 4.22 2.42 0.42 assign (resid 5 and name HA ) (resid 6 and name HG ) 4.52 2.72 0.45 assign (resid 5 and name HA ) (resid 92 and name HB* ) 4.91 3.11 0.49 assign (resid 10 and name HA ) (resid 11 and name HB2 ) 4.56 2.76 0.46 assign (resid 10 and name HA ) (resid 26 and name HG2* ) 4.72 2.92 0.47 assign (resid 93 and name HA ) (resid 93 and name HD21 ) 4.93 3.13 0.49 assign (resid 44 and name HA ) (resid 49 and name HN ) 5.00 3.20 0.50 assign (resid 44 and name HA ) (resid 49 and name HA ) 3.89 2.09 0.39 assign (resid 44 and name HA ) (resid 45 and name HG11 ) 4.55 2.75 0.46 assign (resid 70 and name HA ) (resid 71 and name HD2 ) 3.44 1.64 0.34 assign (resid 70 and name HA ) (resid 71 and name HD1 ) 3.56 1.76 0.36 assign (resid 22 and name HB* ) (resid 70 and name HA ) 4.36 2.56 0.44 assign (resid 70 and name HA ) (resid 71 and name HB1 ) 5.50 3.70 0.55 assign (resid 70 and name HA ) (resid 72 and name HG2* ) 5.50 3.70 0.55 assign (resid 55 and name HA ) (resid 56 and name HB* ) 4.51 2.71 0.45 assign (resid 106 and name HA ) (resid 107 and name HB* ) 4.54 2.74 0.45 assign (resid 54 and name HG2* ) (resid 55 and name HA ) 4.64 2.84 0.46 assign (resid 42 and name HA ) (resid 53 and name HN ) 4.28 2.48 0.43 assign (resid 42 and name HA ) (resid 53 and name HE3 ) 4.76 2.96 0.48 assign (resid 78 and name HA ) (resid 102 and name HA ) 3.76 1.96 0.38 assign (resid 78 and name HA ) (resid 100 and name HG2* ) 5.50 3.70 0.55 assign (resid 78 and name HA ) (resid 103 and name HG1* ) 5.50 3.70 0.55 assign (resid 42 and name HA ) (resid 43 and name HG2* ) 4.43 2.63 0.44 assign (resid 90 and name HA ) (resid 91 and name HA ) 4.81 3.01 0.48 assign (resid 4 and name HD1 ) (resid 91 and name HA ) 4.89 3.09 0.49 assign (resid 3 and name HB1 ) (resid 91 and name HA ) 4.08 2.28 0.41 assign (resid 3 and name HB2 ) (resid 91 and name HA ) 4.33 2.53 0.43 assign (resid 91 and name HA ) (resid 92 and name HG ) 4.03 2.23 0.40 assign (resid 78 and name HA ) (resid 79 and name HG11 ) 4.05 2.25 0.41 assign (resid 3 and name HA ) (resid 4 and name HD1 ) 3.45 1.65 0.34 assign (resid 21 and name HG ) (resid 23 and name HA ) 4.98 3.18 0.50 assign (resid 3 and name HA ) (resid 34 and name HG2* ) 3.77 1.97 0.38 assign (resid 45 and name HD1* ) (resid 69 and name HE1 ) 4.74 2.94 0.47 assign (resid 45 and name HD1* ) (resid 69 and name HD1 ) 4.13 2.33 0.41 assign (resid 45 and name HD1* ) (resid 67 and name HZ ) 5.50 3.70 0.55 assign (resid 45 and name HD1* ) (resid 69 and name HB2 ) 4.89 3.09 0.49 assign (resid 45 and name HD1* ) (resid 69 and name HB1 ) 4.89 3.09 0.49 assign (resid 45 and name HD1* ) (resid 50 and name HB2 ) 4.52 2.72 0.45 assign (resid 45 and name HD1* ) (resid 50 and name HB1 ) 4.52 2.72 0.45 assign (resid 43 and name HG2* ) (resid 45 and name HD1* ) 5.30 3.50 0.53 assign (resid 45 and name HD1* ) (resid 79 and name HD1* ) 4.08 2.28 0.41 assign (resid 79 and name HD1* ) (resid 80 and name HN ) 5.33 3.53 0.53 assign (resid 24 and name HH ) (resid 79 and name HD1* ) 4.83 3.03 0.48 assign (resid 69 and name HE3 ) (resid 79 and name HD1* ) 4.43 2.63 0.44 assign (resid 69 and name HZ3 ) (resid 79 and name HD1* ) 3.96 2.16 0.40 assign (resid 67 and name HZ ) (resid 79 and name HD1* ) 3.71 1.91 0.37 assign (resid 79 and name HD1* ) (resid 101 and name HB1 ) 4.56 2.76 0.46 assign (resid 79 and name HD1* ) (resid 103 and name HB ) 4.45 2.65 0.44 assign (resid 79 and name HD1* ) (resid 103 and name HG2* ) 3.30 1.50 0.33 assign (resid 10 and name HD1* ) (resid 79 and name HD1* ) 4.25 2.45 0.43 assign (resid 26 and name HB ) (resid 65 and name HB1 ) 4.41 2.61 0.44 assign (resid 16 and name HG2* ) (resid 71 and name HD2 ) 4.13 2.33 0.41 assign (resid 71 and name HD1 ) (resid 105 and name HG2* ) 4.57 2.77 0.46 assign (resid 13 and name HD1 ) (resid 24 and name HH ) 5.50 3.70 0.55 assign (resid 13 and name HD1 ) (resid 24 and name HD* ) 4.79 2.99 0.48 assign (resid 12 and name HA2 ) (resid 13 and name HD1 ) 3.79 1.99 0.38 assign (resid 12 and name HA1 ) (resid 13 and name HD1 ) 3.76 1.96 0.38 assign (resid 13 and name HD1 ) (resid 22 and name HB* ) 4.80 3.00 0.48 assign (resid 13 and name HD2 ) (resid 24 and name HH ) 4.57 2.77 0.46 assign (resid 12 and name HA2 ) (resid 13 and name HD2 ) 3.67 1.87 0.37 assign (resid 12 and name HA1 ) (resid 13 and name HD2 ) 3.60 1.80 0.36 assign (resid 13 and name HD2 ) (resid 22 and name HB* ) 4.57 2.77 0.46 assign (resid 13 and name HD2 ) (resid 24 and name HB2 ) 5.41 3.61 0.54 assign (resid 13 and name HD2 ) (resid 16 and name HG1* ) 4.65 2.85 0.47 assign (resid 58 and name HA2 ) (resid 59 and name HD1 ) 3.71 1.91 0.37 assign (resid 35 and name HA2 ) (resid 59 and name HD1 ) 4.66 2.86 0.47 assign (resid 58 and name HA1 ) (resid 59 and name HD1 ) 3.71 1.91 0.37 assign (resid 35 and name HN ) (resid 59 and name HD2 ) 4.80 3.00 0.48 assign (resid 58 and name HA2 ) (resid 59 and name HD2 ) 3.73 1.93 0.37 assign (resid 58 and name HA1 ) (resid 59 and name HD2 ) 3.73 1.93 0.37 assign (resid 3 and name HD* ) (resid 4 and name HD2 ) 4.50 2.70 0.45 assign (resid 3 and name HA ) (resid 4 and name HD2 ) 3.53 1.73 0.35 assign (resid 3 and name HB1 ) (resid 4 and name HD2 ) 3.88 2.08 0.39 assign (resid 4 and name HD2 ) (resid 34 and name HG2* ) 4.01 2.21 0.40 assign (resid 3 and name HB1 ) (resid 4 and name HD1 ) 4.35 2.55 0.44 assign (resid 36 and name HA ) (resid 37 and name HD2 ) 3.32 1.52 0.33 assign (resid 36 and name HG1* ) (resid 37 and name HD2 ) 3.89 2.09 0.39 assign (resid 36 and name HG1* ) (resid 37 and name HD1 ) 3.89 2.09 0.39 assign (resid 30 and name HB2 ) (resid 57 and name HB2 ) 4.65 2.85 0.47 assign (resid 36 and name HB ) (resid 57 and name HB2 ) 4.38 2.58 0.44 assign (resid 82 and name HB ) (resid 85 and name HB2 ) 4.73 2.93 0.47 assign (resid 23 and name HG2 ) (resid 66 and name HB ) 4.79 2.99 0.48 assign (resid 7 and name HB ) (resid 96 and name HD21 ) 4.42 2.62 0.44 assign (resid 19 and name HA ) (resid 70 and name HB ) 5.24 3.44 0.52 assign (resid 99 and name HB* ) (resid 100 and name HB ) 5.33 3.53 0.53 assign (resid 65 and name HA ) (resid 66 and name HG2* ) 4.46 2.66 0.45 assign (resid 37 and name HA ) (resid 56 and name HA ) 4.17 2.37 0.42 assign (resid 36 and name HG1* ) (resid 37 and name HA ) 4.56 2.76 0.46 assign (resid 89 and name HA ) (resid 90 and name HA ) 4.72 2.92 0.47 assign (resid 26 and name HN ) (resid 64 and name HA ) 4.72 2.92 0.47 assign (resid 27 and name HA ) (resid 64 and name HA ) 3.84 2.04 0.38 assign (resid 64 and name HA ) (resid 65 and name HG ) 4.41 2.61 0.44 assign (resid 64 and name HA ) (resid 65 and name HB2 ) 5.12 3.32 0.51 assign (resid 64 and name HA ) (resid 65 and name HD1* ) 5.12 3.32 0.51 assign (resid 71 and name HA ) (resid 105 and name HG2* ) 4.53 2.73 0.45 assign (resid 82 and name HG1 ) (resid 85 and name HA ) 5.16 3.36 0.52 assign (resid 84 and name HA ) (resid 85 and name HA ) 5.00 3.20 0.50 assign (resid 82 and name HB ) (resid 85 and name HA ) 4.64 2.84 0.46 assign (resid 83 and name HG1* ) (resid 85 and name HA ) 5.50 3.70 0.55 assign (resid 85 and name HA ) (resid 98 and name HG2* ) 5.50 3.70 0.55 assign (resid 36 and name HG1* ) (resid 38 and name HB1 ) 4.63 2.83 0.46 assign (resid 15 and name HA ) (resid 104 and name HB1 ) 4.38 2.58 0.44 assign (resid 103 and name HA ) (resid 104 and name HB1 ) 5.02 3.22 0.50 assign (resid 15 and name HG2* ) (resid 104 and name HB1 ) 3.59 1.79 0.36 assign (resid 15 and name HG1* ) (resid 104 and name HB1 ) 4.27 2.47 0.43 assign (resid 15 and name HA ) (resid 104 and name HB2 ) 4.38 2.58 0.44 assign (resid 103 and name HA ) (resid 104 and name HB2 ) 5.02 3.22 0.50 assign (resid 15 and name HG1* ) (resid 104 and name HB2 ) 4.27 2.47 0.43 assign (resid 35 and name HN ) (resid 59 and name HA ) 4.68 2.88 0.47 assign (resid 30 and name HD21 ) (resid 59 and name HA ) 4.53 2.73 0.45 assign (resid 30 and name HD22 ) (resid 59 and name HA ) 4.53 2.73 0.45 assign (resid 59 and name HA ) (resid 60 and name HA ) 4.40 2.60 0.44 assign (resid 30 and name HB1 ) (resid 59 and name HA ) 4.81 3.01 0.48 assign (resid 56 and name HB* ) (resid 57 and name HA ) 4.49 2.69 0.45 assign (resid 37 and name HA ) (resid 56 and name HB* ) 3.45 1.65 0.34 assign (resid 37 and name HB1 ) (resid 56 and name HB* ) 4.59 2.79 0.46 assign (resid 37 and name HB2 ) (resid 56 and name HB* ) 5.11 3.31 0.51 assign (resid 55 and name HB ) (resid 56 and name HB* ) 5.50 3.70 0.55 assign (resid 56 and name HB* ) (resid 57 and name HG ) 5.50 3.70 0.55 assign (resid 39 and name HG2* ) (resid 56 and name HB* ) 5.50 3.70 0.55 assign (resid 55 and name HG1* ) (resid 56 and name HB* ) 5.50 3.70 0.55 assign (resid 55 and name HG2* ) (resid 56 and name HB* ) 5.28 3.48 0.53 assign (resid 23 and name HA ) (resid 68 and name HB2 ) 5.22 3.42 0.52 assign (resid 23 and name HA ) (resid 68 and name HB1 ) 5.22 3.42 0.52 assign (resid 23 and name HG1 ) (resid 68 and name HB1 ) 4.86 3.06 0.49 assign (resid 18 and name HA ) (resid 72 and name HA ) 4.83 3.03 0.48 assign (resid 18 and name HA ) (resid 19 and name HA ) 5.12 3.32 0.51 assign (resid 18 and name HA ) (resid 71 and name HD2 ) 5.50 3.70 0.55 assign (resid 18 and name HA ) (resid 74 and name HA ) 5.50 3.70 0.55 assign (resid 18 and name HA ) (resid 71 and name HB2 ) 4.77 2.97 0.48 assign (resid 48 and name HA ) (resid 49 and name HA ) 5.02 3.22 0.50 assign (resid 49 and name HA ) (resid 50 and name HA ) 5.40 3.60 0.54 assign (resid 44 and name HB2 ) (resid 49 and name HA ) 5.50 3.70 0.55 assign (resid 74 and name HA ) (resid 105 and name HN ) 5.05 3.25 0.51 assign (resid 74 and name HA ) (resid 105 and name HB ) 3.62 1.82 0.36 assign (resid 74 and name HA ) (resid 105 and name HG2* ) 3.95 2.15 0.40 assign (resid 74 and name HA ) (resid 105 and name HG1* ) 3.30 1.50 0.33 assign (resid 86 and name HA ) (resid 88 and name HG2* ) 4.48 2.68 0.45 assign (resid 15 and name HA ) (resid 16 and name HA ) 4.82 3.02 0.48 assign (resid 16 and name HA ) (resid 22 and name HB* ) 5.32 3.52 0.53 assign (resid 16 and name HA ) (resid 106 and name HG2* ) 4.80 3.00 0.48 assign (resid 51 and name HB1 ) (resid 53 and name HH2 ) 4.71 2.91 0.47 assign (resid 50 and name HD* ) (resid 51 and name HB2 ) 4.34 2.54 0.43 assign (resid 3 and name HA ) (resid 34 and name HD1* ) 4.18 2.38 0.42 assign (resid 4 and name HD1 ) (resid 34 and name HD1* ) 4.03 2.23 0.40 assign (resid 2 and name HG* ) (resid 34 and name HD1* ) 4.40 2.60 0.44 assign (resid 4 and name HG1 ) (resid 34 and name HD1* ) 4.27 2.47 0.43 assign (resid 2 and name HB2 ) (resid 34 and name HD1* ) 4.11 2.31 0.41 assign (resid 2 and name HB1 ) (resid 34 and name HD1* ) 4.11 2.31 0.41 assign (resid 10 and name HD1* ) (resid 67 and name HE* ) 5.50 3.70 0.55 assign (resid 10 and name HD1* ) (resid 81 and name HA ) 4.60 2.80 0.46 assign (resid 10 and name HD1* ) (resid 100 and name HA ) 4.08 2.28 0.41 assign (resid 10 and name HD1* ) (resid 101 and name HB1 ) 3.73 1.93 0.37 assign (resid 10 and name HD1* ) (resid 101 and name HB2 ) 3.73 1.93 0.37 assign (resid 10 and name HD1* ) (resid 79 and name HB ) 3.83 2.03 0.38 assign (resid 10 and name HD1* ) (resid 81 and name HB* ) 3.09 1.29 0.31 assign (resid 10 and name HD1* ) (resid 79 and name HG2* ) 3.25 1.45 0.33 assign (resid 45 and name HG2* ) (resid 79 and name HA ) 4.61 2.81 0.46 assign (resid 45 and name HG2* ) (resid 77 and name HB2 ) 4.15 2.35 0.42 assign (resid 45 and name HG2* ) (resid 77 and name HB1 ) 4.15 2.35 0.42 assign (resid 45 and name HG2* ) (resid 79 and name HD1* ) 4.30 2.50 0.43 assign (resid 10 and name HG2* ) (resid 11 and name HN ) 3.34 1.54 0.33 assign (resid 10 and name HG2* ) (resid 101 and name HE* ) 4.79 2.99 0.48 assign (resid 10 and name HG2* ) (resid 67 and name HZ ) 4.78 2.98 0.48 assign (resid 10 and name HG2* ) (resid 101 and name HA ) 5.30 3.50 0.53 assign (resid 10 and name HG2* ) (resid 101 and name HB1 ) 3.95 2.15 0.40 assign (resid 10 and name HG2* ) (resid 101 and name HB2 ) 3.96 2.16 0.40 assign (resid 10 and name HG2* ) (resid 24 and name HB1 ) 4.20 2.40 0.42 assign (resid 10 and name HG2* ) (resid 79 and name HB ) 4.39 2.59 0.44 assign (resid 10 and name HG2* ) (resid 26 and name HG2* ) 4.52 2.72 0.45 assign (resid 4 and name HA ) (resid 34 and name HG2* ) 4.50 2.70 0.45 assign (resid 34 and name HG2* ) (resid 59 and name HA ) 4.35 2.55 0.44 assign (resid 4 and name HD1 ) (resid 34 and name HG2* ) 3.54 1.74 0.35 assign (resid 3 and name HB1 ) (resid 34 and name HG2* ) 5.01 3.21 0.50 assign (resid 3 and name HB2 ) (resid 34 and name HG2* ) 5.09 3.29 0.51 assign (resid 4 and name HB2 ) (resid 34 and name HG2* ) 3.89 2.09 0.39 assign (resid 2 and name HG* ) (resid 34 and name HG2* ) 4.19 2.39 0.42 assign (resid 79 and name HG2* ) (resid 101 and name HN ) 5.16 3.36 0.52 assign (resid 67 and name HE* ) (resid 79 and name HG2* ) 3.98 2.18 0.40 assign (resid 67 and name HZ ) (resid 79 and name HG2* ) 3.67 1.87 0.37 assign (resid 43 and name HA ) (resid 79 and name HG2* ) 4.35 2.55 0.44 assign (resid 45 and name HA ) (resid 79 and name HG2* ) 4.67 2.87 0.47 assign (resid 79 and name HG2* ) (resid 101 and name HB2 ) 4.82 3.02 0.48 assign (resid 79 and name HG2* ) (resid 81 and name HB* ) 4.46 2.66 0.45 assign (resid 79 and name HG2* ) (resid 103 and name HG2* ) 4.84 3.04 0.48 assign (resid 45 and name HG12 ) (resid 79 and name HG2* ) 4.11 2.31 0.41 assign (resid 45 and name HD1* ) (resid 79 and name HG2* ) 4.16 2.36 0.42 assign (resid 41 and name HN ) (resid 65 and name HD1* ) 5.00 3.20 0.50 assign (resid 65 and name HD1* ) (resid 66 and name HN ) 5.21 3.41 0.52 assign (resid 53 and name HE3 ) (resid 65 and name HD1* ) 4.15 2.35 0.42 assign (resid 53 and name HZ3 ) (resid 65 and name HD1* ) 5.00 3.20 0.50 assign (resid 53 and name HB1 ) (resid 65 and name HD1* ) 4.21 2.41 0.42 assign (resid 53 and name HB2 ) (resid 65 and name HD1* ) 3.93 2.13 0.39 assign (resid 41 and name HB ) (resid 65 and name HD1* ) 3.86 2.06 0.39 assign (resid 26 and name HB ) (resid 65 and name HD1* ) 3.89 2.09 0.39 assign (resid 63 and name HB1 ) (resid 65 and name HD1* ) 4.62 2.82 0.46 assign (resid 63 and name HB2 ) (resid 65 and name HD1* ) 5.50 3.70 0.55 assign (resid 63 and name HG* ) (resid 65 and name HD1* ) 5.50 3.70 0.55 assign (resid 26 and name HG1* ) (resid 65 and name HD1* ) 3.62 1.82 0.36 assign (resid 17 and name HA1 ) (resid 20 and name HE* ) 5.12 3.32 0.51 assign (resid 17 and name HA1 ) (resid 20 and name HB1 ) 4.61 2.81 0.46 assign (resid 17 and name HA1 ) (resid 20 and name HG1 ) 4.45 2.65 0.44 assign (resid 17 and name HA1 ) (resid 20 and name HG2 ) 4.57 2.77 0.46 assign (resid 17 and name HA1 ) (resid 18 and name HG1* ) 4.61 2.81 0.46 assign (resid 17 and name HA1 ) (resid 106 and name HG2* ) 3.98 2.18 0.40 assign (resid 79 and name HB ) (resid 101 and name HB2 ) 4.49 2.69 0.45 assign (resid 10 and name HB ) (resid 101 and name HB2 ) 3.97 2.17 0.40 assign (resid 78 and name HA ) (resid 101 and name HB1 ) 5.30 3.50 0.53 assign (resid 10 and name HB ) (resid 101 and name HB1 ) 4.02 2.22 0.40 assign (resid 79 and name HG2* ) (resid 101 and name HB1 ) 4.60 2.80 0.46 assign (resid 83 and name HG2* ) (resid 84 and name HB2 ) 3.99 2.19 0.40 assign (resid 6 and name HD1* ) (resid 84 and name HB1 ) 4.00 2.20 0.40 assign (resid 83 and name HG2* ) (resid 84 and name HB1 ) 4.17 2.37 0.42 assign (resid 29 and name HB2 ) (resid 30 and name HB2 ) 5.19 3.39 0.52 assign (resid 30 and name HB2 ) (resid 61 and name HB2 ) 5.50 3.70 0.55 assign (resid 30 and name HB2 ) (resid 57 and name HB1 ) 4.55 2.75 0.46 assign (resid 92 and name HB* ) (resid 93 and name HB1 ) 4.70 2.90 0.47 assign (resid 30 and name HB1 ) (resid 57 and name HB1 ) 4.82 3.02 0.48 assign (resid 6 and name HD2* ) (resid 30 and name HB1 ) 4.12 2.32 0.41 assign (resid 30 and name HB1 ) (resid 57 and name HD1* ) 5.25 3.45 0.53 assign (resid 83 and name HG1* ) (resid 97 and name HB2 ) 4.29 2.49 0.43 assign (resid 53 and name HB2 ) (resid 55 and name HG1* ) 4.64 2.84 0.46 assign (resid 41 and name HB ) (resid 53 and name HB1 ) 4.27 2.47 0.43 assign (resid 41 and name HG1* ) (resid 53 and name HB1 ) 5.46 3.66 0.55 assign (resid 41 and name HG2* ) (resid 53 and name HB1 ) 5.50 3.70 0.55 assign (resid 67 and name HE* ) (resid 69 and name HB2 ) 4.54 2.74 0.45 assign (resid 67 and name HE* ) (resid 69 and name HB1 ) 4.54 2.74 0.45 assign (resid 9 and name HB2 ) (resid 27 and name HB1 ) 4.38 2.58 0.44 assign (resid 24 and name HB1 ) (resid 67 and name HZ ) 4.88 3.08 0.49 assign (resid 23 and name HA ) (resid 24 and name HB2 ) 5.07 3.27 0.51 assign (resid 24 and name HB2 ) (resid 25 and name HA ) 5.50 3.70 0.55 assign (resid 44 and name HA ) (resid 45 and name HB ) 4.84 3.04 0.48 assign (resid 63 and name HB2 ) (resid 63 and name HE2 ) 5.50 3.70 0.55 assign (resid 63 and name HB2 ) (resid 63 and name HE1 ) 5.50 3.70 0.55 assign (resid 28 and name HG2* ) (resid 63 and name HB2 ) 3.97 2.17 0.40 assign (resid 57 and name HD2* ) (resid 63 and name HB1 ) 4.17 2.37 0.42 assign (resid 43 and name HB ) (resid 53 and name HZ3 ) 4.58 2.78 0.46 assign (resid 43 and name HB ) (resid 79 and name HG2* ) 4.63 2.83 0.46 assign (resid 28 and name HA ) (resid 29 and name HB1 ) 4.90 3.10 0.49 assign (resid 29 and name HB1 ) (resid 62 and name HB2 ) 4.33 2.53 0.43 assign (resid 6 and name HN ) (resid 91 and name HB1 ) 4.88 3.08 0.49 assign (resid 29 and name HB2 ) (resid 31 and name HD2* ) 4.07 2.27 0.41 assign (resid 9 and name HB1 ) (resid 11 and name HB2 ) 4.77 2.97 0.48 assign (resid 11 and name HB2 ) (resid 25 and name HB2 ) 5.04 3.24 0.50 assign (resid 48 and name HA ) (resid 49 and name HB1 ) 4.81 3.01 0.48 assign (resid 48 and name HA ) (resid 49 and name HB2 ) 4.81 3.01 0.48 assign (resid 20 and name HA ) (resid 21 and name HB1 ) 5.14 3.34 0.51 assign (resid 20 and name HA ) (resid 21 and name HB2 ) 4.74 2.94 0.47 assign (resid 106 and name HB ) (resid 107 and name HB* ) 4.64 2.84 0.46 assign (resid 74 and name HB1 ) (resid 107 and name HB* ) 4.67 2.87 0.47 assign (resid 107 and name HB* ) (resid 108 and name HB* ) 4.40 2.60 0.44 assign (resid 18 and name HG2* ) (resid 107 and name HB* ) 5.04 3.24 0.50 assign (resid 4 and name HA ) (resid 34 and name HB ) 5.02 3.22 0.50 assign (resid 9 and name HA ) (resid 10 and name HB ) 4.76 2.96 0.48 assign (resid 4 and name HD1 ) (resid 34 and name HB ) 5.04 3.24 0.50 assign (resid 10 and name HB ) (resid 79 and name HB ) 5.24 3.44 0.52 assign (resid 2 and name HB2 ) (resid 34 and name HB ) 4.56 2.76 0.46 assign (resid 2 and name HB1 ) (resid 34 and name HB ) 4.56 2.76 0.46 assign (resid 78 and name HA ) (resid 79 and name HB ) 4.83 3.03 0.48 assign (resid 79 and name HB ) (resid 101 and name HB1 ) 4.12 2.32 0.41 assign (resid 5 and name HA ) (resid 91 and name HG2 ) 4.90 3.10 0.49 assign (resid 5 and name HA ) (resid 91 and name HG1 ) 4.90 3.10 0.49 assign (resid 71 and name HB2 ) (resid 105 and name HG2* ) 4.08 2.28 0.41 assign (resid 10 and name HN ) (resid 81 and name HB* ) 5.20 3.40 0.52 assign (resid 82 and name HG2* ) (resid 98 and name HA ) 3.74 1.94 0.37 assign (resid 8 and name HB ) (resid 81 and name HB* ) 4.16 2.36 0.42 assign (resid 10 and name HG11 ) (resid 81 and name HB* ) 3.36 1.56 0.34 assign (resid 8 and name HG2* ) (resid 81 and name HB* ) 2.87 1.07 0.29 assign (resid 10 and name HG2* ) (resid 81 and name HB* ) 4.79 2.99 0.48 assign (resid 43 and name HG1* ) (resid 81 and name HB* ) 4.46 2.66 0.45 assign (resid 82 and name HG2* ) (resid 85 and name HA ) 4.87 3.07 0.49 assign (resid 82 and name HG2* ) (resid 85 and name HG* ) 3.72 1.92 0.37 assign (resid 82 and name HG2* ) (resid 98 and name HB ) 4.14 2.34 0.41 assign (resid 44 and name HD* ) (resid 48 and name HG2* ) 5.19 3.39 0.52 assign (resid 48 and name HG2* ) (resid 49 and name HD1* ) 5.40 3.60 0.54 assign (resid 22 and name HB* ) (resid 67 and name HE* ) 5.50 3.70 0.55 assign (resid 22 and name HB* ) (resid 69 and name HZ3 ) 5.50 3.70 0.55 assign (resid 22 and name HB* ) (resid 23 and name HA ) 4.70 2.90 0.47 assign (resid 21 and name HA ) (resid 22 and name HB* ) 4.31 2.51 0.43 assign (resid 22 and name HB* ) (resid 71 and name HD2 ) 4.84 3.04 0.48 assign (resid 13 and name HG2 ) (resid 22 and name HB* ) 3.68 1.88 0.37 assign (resid 13 and name HG1 ) (resid 22 and name HB* ) 3.83 2.03 0.38 assign (resid 22 and name HB* ) (resid 71 and name HD1 ) 4.30 2.50 0.43 assign (resid 80 and name HA ) (resid 99 and name HB* ) 4.79 2.99 0.48 assign (resid 8 and name HB ) (resid 99 and name HB* ) 4.08 2.28 0.41 assign (resid 81 and name HB* ) (resid 99 and name HB* ) 3.26 1.46 0.33 assign (resid 98 and name HG1* ) (resid 99 and name HB* ) 4.03 2.23 0.40 assign (resid 8 and name HG2* ) (resid 99 and name HB* ) 2.82 1.02 0.28 assign (resid 10 and name HG2* ) (resid 99 and name HB* ) 4.95 3.15 0.49 assign (resid 17 and name HA2 ) (resid 20 and name HG1 ) 4.88 3.08 0.49 assign (resid 40 and name HG1 ) (resid 54 and name HG2* ) 4.28 2.48 0.43 assign (resid 39 and name HG2* ) (resid 40 and name HG1 ) 5.00 3.20 0.50 assign (resid 40 and name HG2 ) (resid 54 and name HG2* ) 4.17 2.37 0.42 assign (resid 33 and name HA1 ) (resid 59 and name HB1 ) 4.43 2.63 0.44 assign (resid 33 and name HA1 ) (resid 59 and name HB2 ) 4.39 2.59 0.44 assign (resid 75 and name HA2 ) (resid 105 and name HB ) 4.83 3.03 0.48 assign (resid 36 and name HN ) (resid 58 and name HA2 ) 5.50 3.70 0.55 assign (resid 58 and name HA2 ) (resid 61 and name HB1 ) 4.84 3.04 0.48 assign (resid 58 and name HA2 ) (resid 61 and name HB2 ) 4.58 2.78 0.46 assign (resid 32 and name HA1 ) (resid 34 and name HN ) 4.69 2.89 0.47 assign (resid 4 and name HA ) (resid 32 and name HA1 ) 4.13 2.33 0.41 assign (resid 33 and name HA2 ) (resid 59 and name HB1 ) 4.43 2.63 0.44 assign (resid 35 and name HN ) (resid 58 and name HA1 ) 5.01 3.21 0.50 assign (resid 36 and name HN ) (resid 58 and name HA1 ) 5.50 3.70 0.55 assign (resid 58 and name HA1 ) (resid 61 and name HB1 ) 4.84 3.04 0.48 assign (resid 58 and name HA1 ) (resid 61 and name HB2 ) 4.58 2.78 0.46 assign (resid 75 and name HA1 ) (resid 105 and name HB ) 4.83 3.03 0.48 assign (resid 30 and name HD22 ) (resid 35 and name HA1 ) 4.79 2.99 0.48 assign (resid 35 and name HA1 ) (resid 59 and name HD2 ) 4.65 2.85 0.47 assign (resid 35 and name HA2 ) (resid 59 and name HD2 ) 4.78 2.98 0.48 assign (resid 12 and name HA1 ) (resid 25 and name HN ) 4.65 2.85 0.47 assign (resid 12 and name HA1 ) (resid 13 and name HG2 ) 4.55 2.75 0.46 assign (resid 12 and name HA1 ) (resid 13 and name HG1 ) 4.96 3.16 0.50 assign (resid 36 and name HA ) (resid 37 and name HD1 ) 3.32 1.52 0.33 assign (resid 12 and name HA2 ) (resid 24 and name HA ) 4.38 2.58 0.44 assign (resid 12 and name HA1 ) (resid 24 and name HA ) 4.42 2.62 0.44 assign (resid 13 and name HD1 ) (resid 24 and name HA ) 4.69 2.89 0.47 assign (resid 22 and name HB* ) (resid 24 and name HA ) 5.50 3.70 0.55 assign (resid 14 and name HA ) (resid 103 and name HA ) 3.52 1.72 0.35 assign (resid 36 and name HB ) (resid 39 and name HA ) 5.23 3.43 0.52 assign (resid 76 and name HE* ) (resid 103 and name HA ) 5.50 3.70 0.55 assign (resid 39 and name HA ) (resid 40 and name HB2 ) 4.86 3.06 0.49 assign (resid 39 and name HA ) (resid 40 and name HG2 ) 5.50 3.70 0.55 assign (resid 10 and name HG2* ) (resid 26 and name HA ) 4.68 2.88 0.47 assign (resid 44 and name HN ) (resid 80 and name HB1 ) 5.21 3.41 0.52 assign (resid 80 and name HB1 ) (resid 100 and name HA ) 4.73 2.93 0.47 assign (resid 44 and name HB2 ) (resid 80 and name HB1 ) 4.72 2.92 0.47 assign (resid 80 and name HB1 ) (resid 82 and name HG2* ) 4.43 2.63 0.44 assign (resid 79 and name HG2* ) (resid 80 and name HB1 ) 5.47 3.67 0.55 assign (resid 44 and name HN ) (resid 80 and name HB2 ) 4.76 2.96 0.48 assign (resid 80 and name HB2 ) (resid 100 and name HA ) 5.05 3.25 0.51 assign (resid 44 and name HB2 ) (resid 80 and name HB2 ) 4.10 2.30 0.41 assign (resid 80 and name HB2 ) (resid 82 and name HG2* ) 5.14 3.34 0.51 assign (resid 80 and name HB2 ) (resid 98 and name HG1* ) 4.51 2.71 0.45 assign (resid 79 and name HG2* ) (resid 80 and name HB2 ) 4.83 3.03 0.48 assign (resid 79 and name HG11 ) (resid 80 and name HN ) 5.22 3.42 0.52 assign (resid 45 and name HG12 ) (resid 79 and name HG11 ) 4.68 2.88 0.47 assign (resid 45 and name HD1* ) (resid 79 and name HG11 ) 4.94 3.14 0.49 assign (resid 24 and name HH ) (resid 103 and name HG1* ) 3.68 1.88 0.37 assign (resid 101 and name HE* ) (resid 103 and name HG1* ) 5.24 3.44 0.52 assign (resid 80 and name HD21 ) (resid 100 and name HG2* ) 4.26 2.46 0.43 assign (resid 69 and name HZ3 ) (resid 103 and name HG1* ) 3.58 1.78 0.36 assign (resid 24 and name HE* ) (resid 103 and name HG1* ) 4.48 2.68 0.45 assign (resid 69 and name HH2 ) (resid 103 and name HG1* ) 4.14 2.34 0.41 assign (resid 14 and name HA ) (resid 103 and name HG1* ) 3.97 2.17 0.40 assign (resid 25 and name HA ) (resid 66 and name HG2* ) 3.56 1.76 0.36 assign (resid 103 and name HA ) (resid 103 and name HG1* ) 3.36 1.56 0.34 assign (resid 77 and name HB2 ) (resid 103 and name HG1* ) 4.82 3.02 0.48 assign (resid 23 and name HB1 ) (resid 66 and name HG2* ) 4.32 2.52 0.43 assign (resid 25 and name HB1 ) (resid 66 and name HG2* ) 3.74 1.94 0.37 assign (resid 103 and name HG1* ) (resid 105 and name HG2* ) 2.81 1.01 0.28 assign (resid 64 and name HG1* ) (resid 66 and name HG2* ) 3.39 1.59 0.34 assign (resid 50 and name HD* ) (resid 51 and name HG1 ) 5.50 3.70 0.55 assign (resid 51 and name HG1 ) (resid 53 and name HH2 ) 5.50 3.70 0.55 assign (resid 51 and name HG2 ) (resid 67 and name HB1 ) 5.43 3.63 0.54 assign (resid 53 and name HE1 ) (resid 65 and name HD2* ) 4.80 3.00 0.48 assign (resid 53 and name HB1 ) (resid 65 and name HD2* ) 4.40 2.60 0.44 assign (resid 53 and name HB2 ) (resid 65 and name HD2* ) 4.59 2.79 0.46 assign (resid 26 and name HB ) (resid 65 and name HD2* ) 4.91 3.11 0.49 assign (resid 55 and name HB ) (resid 65 and name HD2* ) 5.23 3.43 0.52 assign (resid 63 and name HB1 ) (resid 65 and name HD2* ) 3.94 2.14 0.39 assign (resid 63 and name HB2 ) (resid 65 and name HD2* ) 4.85 3.05 0.48 assign (resid 49 and name HD1* ) (resid 50 and name HN ) 3.58 1.78 0.36 assign (resid 43 and name HN ) (resid 49 and name HD1* ) 3.86 2.06 0.39 assign (resid 44 and name HA ) (resid 49 and name HD1* ) 3.95 2.15 0.40 assign (resid 49 and name HD1* ) (resid 50 and name HA ) 5.36 3.56 0.54 assign (resid 42 and name HD1 ) (resid 49 and name HD1* ) 4.36 2.56 0.44 assign (resid 44 and name HB2 ) (resid 49 and name HD1* ) 5.50 3.70 0.55 assign (resid 49 and name HD1* ) (resid 52 and name HB* ) 3.69 1.89 0.37 assign (resid 42 and name HB2 ) (resid 49 and name HD1* ) 4.32 2.52 0.43 assign (resid 43 and name HG1* ) (resid 44 and name HN ) 3.57 1.77 0.36 assign (resid 64 and name HN ) (resid 64 and name HG1* ) 3.98 2.18 0.40 assign (resid 43 and name HG1* ) (resid 51 and name HN ) 4.44 2.64 0.44 assign (resid 43 and name HG1* ) (resid 67 and name HZ ) 3.88 2.08 0.39 assign (resid 43 and name HG1* ) (resid 81 and name HA ) 4.58 2.78 0.46 assign (resid 43 and name HA ) (resid 43 and name HG1* ) 3.52 1.72 0.35 assign (resid 25 and name HA ) (resid 64 and name HG1* ) 4.03 2.23 0.40 assign (resid 27 and name HA ) (resid 64 and name HG1* ) 4.34 2.54 0.43 assign (resid 26 and name HA ) (resid 64 and name HG1* ) 5.07 3.27 0.51 assign (resid 43 and name HG1* ) (resid 45 and name HD1* ) 4.02 2.22 0.40 assign (resid 64 and name HG2* ) (resid 65 and name HN ) 4.22 2.42 0.42 assign (resid 27 and name HD2 ) (resid 64 and name HG2* ) 5.01 3.21 0.50 assign (resid 27 and name HA ) (resid 64 and name HG2* ) 3.93 2.13 0.39 assign (resid 63 and name HA ) (resid 64 and name HG2* ) 3.84 2.04 0.38 assign (resid 62 and name HG1 ) (resid 64 and name HG2* ) 4.22 2.42 0.42 assign (resid 28 and name HN ) (resid 64 and name HG1* ) 5.08 3.28 0.51 assign (resid 64 and name HA ) (resid 64 and name HG1* ) 3.33 1.53 0.33 assign (resid 25 and name HB2 ) (resid 64 and name HG1* ) 3.96 2.16 0.40 assign (resid 63 and name HA ) (resid 64 and name HB ) 4.90 3.10 0.49 assign (resid 51 and name HD* ) (resid 67 and name HB2 ) 4.70 2.90 0.47 assign (resid 51 and name HD* ) (resid 67 and name HB1 ) 5.47 3.67 0.55 assign (resid 34 and name HA ) (resid 59 and name HG2 ) 5.50 3.70 0.55 assign (resid 34 and name HA ) (resid 59 and name HB1 ) 4.56 2.76 0.46 assign (resid 34 and name HA ) (resid 59 and name HB2 ) 4.45 2.65 0.44 assign (resid 34 and name HA ) (resid 59 and name HG1 ) 4.42 2.62 0.44 assign (resid 45 and name HG12 ) (resid 79 and name HG12 ) 4.23 2.43 0.42 assign (resid 57 and name HD1* ) (resid 63 and name HN ) 4.35 2.55 0.44 assign (resid 45 and name HG11 ) (resid 50 and name HB2 ) 4.88 3.08 0.49 assign (resid 89 and name HA ) (resid 90 and name HB ) 4.78 2.98 0.48 assign (resid 19 and name HD21 ) (resid 72 and name HA ) 4.82 3.02 0.48 assign (resid 19 and name HA ) (resid 72 and name HA ) 4.34 2.54 0.43 assign (resid 34 and name HG12 ) (resid 35 and name HN ) 4.55 2.75 0.46 assign (resid 34 and name HN ) (resid 34 and name HG12 ) 4.45 2.65 0.44 assign (resid 4 and name HD1 ) (resid 34 and name HG12 ) 4.93 3.13 0.49 assign (resid 34 and name HG12 ) (resid 35 and name HA1 ) 5.46 3.66 0.55 assign (resid 4 and name HG2 ) (resid 34 and name HG12 ) 5.50 3.70 0.55 assign (resid 34 and name HG11 ) (resid 35 and name HA1 ) 4.63 2.83 0.46 assign (resid 19 and name HN ) (resid 20 and name HG2 ) 5.50 3.70 0.55 assign (resid 7 and name HG2* ) (resid 29 and name HN ) 4.05 2.25 0.41 assign (resid 7 and name HG2* ) (resid 8 and name HN ) 3.93 2.13 0.39 assign (resid 7 and name HG2* ) (resid 7 and name HG1 ) 3.97 2.17 0.40 assign (resid 6 and name HA ) (resid 7 and name HG2* ) 4.19 2.39 0.42 assign (resid 7 and name HG2* ) (resid 28 and name HA ) 4.76 2.96 0.48 assign (resid 5 and name HB1 ) (resid 7 and name HG2* ) 5.50 3.70 0.55 assign (resid 7 and name HG2* ) (resid 9 and name HG* ) 4.68 2.88 0.47 assign (resid 7 and name HG2* ) (resid 31 and name HB* ) 3.87 2.07 0.39 assign (resid 7 and name HG2* ) (resid 31 and name HG ) 3.40 1.60 0.34 assign (resid 7 and name HG2* ) (resid 29 and name HD2 ) 3.23 1.43 0.32 assign (resid 4 and name HA ) (resid 5 and name HB2 ) 4.53 2.73 0.45 assign (resid 5 and name HB2 ) (resid 31 and name HB* ) 3.84 2.04 0.38 assign (resid 5 and name HB1 ) (resid 92 and name HN ) 5.37 3.57 0.54 assign (resid 4 and name HA ) (resid 5 and name HB1 ) 4.83 3.03 0.48 assign (resid 5 and name HB1 ) (resid 31 and name HB* ) 3.73 1.93 0.37 assign (resid 70 and name HA ) (resid 71 and name HG1 ) 4.91 3.11 0.49 assign (resid 18 and name HA ) (resid 71 and name HG1 ) 4.53 2.73 0.45 assign (resid 19 and name HD22 ) (resid 72 and name HG2* ) 4.68 2.88 0.47 assign (resid 70 and name HG2* ) (resid 72 and name HG2* ) 3.48 1.68 0.35 assign (resid 10 and name HG11 ) (resid 26 and name HG2* ) 5.50 3.70 0.55 assign (resid 10 and name HG12 ) (resid 81 and name HN ) 5.50 3.70 0.55 assign (resid 10 and name HG12 ) (resid 26 and name HA ) 4.80 3.00 0.48 assign (resid 10 and name HG12 ) (resid 81 and name HB* ) 4.05 2.25 0.41 assign (resid 10 and name HG12 ) (resid 26 and name HG2* ) 4.38 2.58 0.44 assign (resid 10 and name HG12 ) (resid 79 and name HG2* ) 4.55 2.75 0.46 assign (resid 29 and name HA ) (resid 57 and name HD1* ) 4.10 2.30 0.41 assign (resid 30 and name HB2 ) (resid 57 and name HD1* ) 4.45 2.65 0.44 assign (resid 57 and name HD1* ) (resid 61 and name HB1 ) 4.19 2.39 0.42 assign (resid 6 and name HD2* ) (resid 57 and name HD1* ) 2.88 1.08 0.29 assign (resid 28 and name HG2* ) (resid 57 and name HD1* ) 3.16 1.36 0.32 assign (resid 49 and name HD2* ) (resid 50 and name HN ) 4.85 3.05 0.48 assign (resid 49 and name HD2* ) (resid 50 and name HA ) 5.44 3.64 0.54 assign (resid 42 and name HA ) (resid 52 and name HB* ) 3.95 2.15 0.40 assign (resid 40 and name HB2 ) (resid 52 and name HB* ) 5.50 3.70 0.55 assign (resid 42 and name HG2 ) (resid 52 and name HB* ) 4.22 2.42 0.42 assign (resid 42 and name HG1 ) (resid 52 and name HB* ) 4.22 2.42 0.42 assign (resid 49 and name HD2* ) (resid 52 and name HB* ) 3.97 2.17 0.40 assign (resid 45 and name HG11 ) (resid 50 and name HB1 ) 4.88 3.08 0.49 assign (resid 43 and name HG1* ) (resid 50 and name HB1 ) 4.06 2.26 0.41 assign (resid 60 and name HA ) (resid 60 and name HE* ) 4.70 2.90 0.47 assign (resid 60 and name HB2 ) (resid 60 and name HE* ) 4.74 2.94 0.47 assign (resid 60 and name HB1 ) (resid 60 and name HE* ) 4.74 2.94 0.47 assign (resid 31 and name HD2* ) (resid 60 and name HE* ) 5.21 3.41 0.52 assign (resid 43 and name HG1* ) (resid 50 and name HB2 ) 4.06 2.26 0.41 assign (resid 3 and name HB1 ) (resid 92 and name HG ) 4.04 2.24 0.40 assign (resid 3 and name HB1 ) (resid 90 and name HG1* ) 4.93 3.13 0.49 assign (resid 44 and name HB1 ) (resid 49 and name HA ) 4.72 2.92 0.47 assign (resid 18 and name HG2* ) (resid 19 and name HB2 ) 4.23 2.43 0.42 assign (resid 19 and name HB1 ) (resid 20 and name HD2 ) 4.83 3.03 0.48 assign (resid 18 and name HG1* ) (resid 19 and name HB1 ) 4.35 2.55 0.44 assign (resid 19 and name HA ) (resid 72 and name HG2* ) 4.39 2.59 0.44 assign (resid 18 and name HG1* ) (resid 19 and name HA ) 4.70 2.90 0.47 assign (resid 7 and name HB ) (resid 97 and name HA ) 4.63 2.83 0.46 assign (resid 83 and name HG1* ) (resid 97 and name HA ) 3.29 1.49 0.33 assign (resid 8 and name HG2* ) (resid 97 and name HA ) 4.17 2.37 0.42 assign (resid 20 and name HA ) (resid 70 and name HG2* ) 3.97 2.17 0.40 assign (resid 101 and name HA ) (resid 102 and name HB1 ) 5.50 3.70 0.55 assign (resid 101 and name HA ) (resid 102 and name HB2 ) 5.50 3.70 0.55 assign (resid 77 and name HB1 ) (resid 103 and name HB ) 4.55 2.75 0.46 assign (resid 77 and name HB1 ) (resid 103 and name HG1* ) 4.82 3.02 0.48 assign (resid 77 and name HB1 ) (resid 105 and name HG2* ) 4.88 3.08 0.49 assign (resid 38 and name HA ) (resid 39 and name HB ) 5.50 3.70 0.55 assign (resid 37 and name HB2 ) (resid 38 and name HA ) 4.84 3.04 0.48 assign (resid 36 and name HG1* ) (resid 38 and name HA ) 4.20 2.40 0.42 assign (resid 40 and name HN ) (resid 40 and name HE* ) 4.68 2.88 0.47 assign (resid 60 and name HN ) (resid 60 and name HE* ) 5.22 3.42 0.52 assign (resid 31 and name HB* ) (resid 60 and name HE* ) 5.50 3.70 0.55 assign (resid 59 and name HB2 ) (resid 60 and name HE* ) 5.50 3.70 0.55 assign (resid 39 and name HG2* ) (resid 84 and name HA ) 5.47 3.67 0.55 assign (resid 39 and name HG2* ) (resid 84 and name HB2 ) 4.74 2.94 0.47 assign (resid 39 and name HG2* ) (resid 55 and name HB ) 5.07 3.27 0.51 assign (resid 6 and name HB2 ) (resid 39 and name HG2* ) 4.33 2.53 0.43 assign (resid 28 and name HB ) (resid 39 and name HG2* ) 4.55 2.75 0.46 assign (resid 39 and name HG2* ) (resid 83 and name HB ) 5.03 3.23 0.50 assign (resid 6 and name HG ) (resid 39 and name HG2* ) 5.12 3.32 0.51 assign (resid 39 and name HG2* ) (resid 55 and name HG2* ) 3.08 1.28 0.31 assign (resid 54 and name HA ) (resid 55 and name HG2* ) 4.19 2.39 0.42 assign (resid 39 and name HB ) (resid 55 and name HG2* ) 4.51 2.71 0.45 assign (resid 53 and name HB1 ) (resid 55 and name HG2* ) 4.63 2.83 0.46 assign (resid 55 and name HG2* ) (resid 63 and name HE2 ) 5.50 3.70 0.55 assign (resid 55 and name HG2* ) (resid 63 and name HE1 ) 5.50 3.70 0.55 assign (resid 53 and name HB2 ) (resid 55 and name HG2* ) 4.73 2.93 0.47 assign (resid 41 and name HB ) (resid 55 and name HG2* ) 4.39 2.59 0.44 assign (resid 28 and name HB ) (resid 55 and name HG2* ) 5.25 3.45 0.53 assign (resid 55 and name HG2* ) (resid 63 and name HB1 ) 4.27 2.47 0.43 assign (resid 55 and name HG2* ) (resid 57 and name HG ) 3.58 1.78 0.36 assign (resid 54 and name HG2* ) (resid 55 and name HG2* ) 4.62 2.82 0.46 assign (resid 55 and name HG2* ) (resid 65 and name HD2* ) 4.04 2.24 0.40 assign (resid 55 and name HG2* ) (resid 65 and name HD1* ) 3.64 1.84 0.36 assign (resid 22 and name HN ) (resid 70 and name HG2* ) 5.18 3.38 0.52 assign (resid 19 and name HN ) (resid 70 and name HG2* ) 3.85 2.05 0.38 assign (resid 70 and name HG2* ) (resid 72 and name HA ) 4.60 2.80 0.46 assign (resid 21 and name HA ) (resid 70 and name HG2* ) 4.13 2.33 0.41 assign (resid 19 and name HA ) (resid 70 and name HG2* ) 3.14 1.34 0.31 assign (resid 18 and name HA ) (resid 70 and name HG2* ) 4.89 3.09 0.49 assign (resid 19 and name HB1 ) (resid 70 and name HG2* ) 4.25 2.45 0.43 assign (resid 70 and name HG2* ) (resid 71 and name HD1 ) 4.12 2.32 0.41 assign (resid 20 and name HB1 ) (resid 70 and name HG2* ) 5.50 3.70 0.55 assign (resid 20 and name HD2 ) (resid 70 and name HG2* ) 5.50 3.70 0.55 assign (resid 21 and name HB2 ) (resid 70 and name HG2* ) 4.57 2.77 0.46 assign (resid 78 and name HD2 ) (resid 100 and name HG2* ) 3.84 2.04 0.38 assign (resid 78 and name HD1 ) (resid 100 and name HG2* ) 3.84 2.04 0.38 assign (resid 54 and name HG2* ) (resid 55 and name HN ) 3.31 1.51 0.33 assign (resid 40 and name HA ) (resid 54 and name HG2* ) 4.56 2.76 0.46 assign (resid 8 and name HB ) (resid 28 and name HA ) 5.01 3.21 0.50 assign (resid 8 and name HB ) (resid 28 and name HG1* ) 3.59 1.79 0.36 assign (resid 18 and name HG2* ) (resid 106 and name HA ) 5.50 3.70 0.55 assign (resid 18 and name HG2* ) (resid 73 and name HA ) 3.56 1.76 0.36 assign (resid 18 and name HG2* ) (resid 72 and name HA ) 3.74 1.94 0.37 assign (resid 18 and name HG2* ) (resid 107 and name HA ) 3.79 1.99 0.38 assign (resid 18 and name HG2* ) (resid 74 and name HA ) 3.85 2.05 0.38 assign (resid 18 and name HG2* ) (resid 105 and name HB ) 5.42 3.62 0.54 assign (resid 18 and name HG2* ) (resid 74 and name HB1 ) 3.80 2.00 0.38 assign (resid 18 and name HG2* ) (resid 72 and name HG2* ) 4.21 2.41 0.42 assign (resid 8 and name HG2* ) (resid 81 and name HN ) 4.88 3.08 0.49 assign (resid 8 and name HG2* ) (resid 10 and name HN ) 5.15 3.35 0.52 assign (resid 8 and name HG1* ) (resid 42 and name HN ) 5.46 3.66 0.55 assign (resid 8 and name HG1* ) (resid 83 and name HN ) 3.24 1.44 0.32 assign (resid 7 and name HG1 ) (resid 8 and name HG2* ) 4.79 2.99 0.48 assign (resid 8 and name HG1* ) (resid 83 and name HA ) 4.34 2.54 0.43 assign (resid 8 and name HG2* ) (resid 98 and name HA ) 3.72 1.92 0.37 assign (resid 8 and name HG1* ) (resid 28 and name HA ) 3.69 1.89 0.37 assign (resid 7 and name HA ) (resid 8 and name HG1* ) 4.26 2.46 0.43 assign (resid 7 and name HA ) (resid 8 and name HG2* ) 4.70 2.90 0.47 assign (resid 8 and name HG1* ) (resid 97 and name HA ) 4.25 2.45 0.43 assign (resid 7 and name HB ) (resid 8 and name HG1* ) 5.50 3.70 0.55 assign (resid 7 and name HB ) (resid 8 and name HG2* ) 5.50 3.70 0.55 assign (resid 8 and name HG2* ) (resid 9 and name HG* ) 4.48 2.68 0.45 assign (resid 8 and name HG1* ) (resid 28 and name HG1* ) 2.67 0.87 0.27 assign (resid 14 and name HN ) (resid 15 and name HB ) 4.73 2.93 0.47 assign (resid 15 and name HN ) (resid 15 and name HG1* ) 4.06 2.26 0.41 assign (resid 15 and name HA ) (resid 15 and name HG1* ) 3.12 1.32 0.31 assign (resid 26 and name HG2* ) (resid 67 and name HE* ) 3.21 1.41 0.32 assign (resid 26 and name HG2* ) (resid 53 and name HZ3 ) 4.06 2.26 0.41 assign (resid 25 and name HA ) (resid 26 and name HG2* ) 3.94 2.14 0.39 assign (resid 4 and name HA ) (resid 36 and name HG2* ) 4.41 2.61 0.44 assign (resid 15 and name HG2* ) (resid 104 and name HB2 ) 3.59 1.79 0.36 assign (resid 30 and name HB2 ) (resid 36 and name HG2* ) 5.50 3.70 0.55 assign (resid 14 and name HB2 ) (resid 15 and name HG2* ) 4.48 2.68 0.45 assign (resid 14 and name HB1 ) (resid 15 and name HG2* ) 4.48 2.68 0.45 assign (resid 26 and name HG2* ) (resid 65 and name HD1* ) 4.40 2.60 0.44 assign (resid 16 and name HB ) (resid 105 and name HA ) 5.50 3.70 0.55 assign (resid 16 and name HB ) (resid 71 and name HG1 ) 4.71 2.91 0.47 assign (resid 31 and name HN ) (resid 31 and name HD2* ) 4.09 2.29 0.41 assign (resid 16 and name HG1* ) (resid 24 and name HH ) 3.71 1.91 0.37 assign (resid 16 and name HG1* ) (resid 69 and name HE3 ) 5.50 3.70 0.55 assign (resid 69 and name HE3 ) (resid 105 and name HG2* ) 5.50 3.70 0.55 assign (resid 16 and name HG1* ) (resid 101 and name HE* ) 5.50 3.70 0.55 assign (resid 15 and name HA ) (resid 16 and name HG1* ) 3.89 2.09 0.39 assign (resid 13 and name HA ) (resid 16 and name HG1* ) 4.67 2.87 0.47 assign (resid 77 and name HB2 ) (resid 105 and name HG2* ) 4.88 3.08 0.49 assign (resid 29 and name HE2 ) (resid 31 and name HD2* ) 3.94 2.14 0.39 assign (resid 29 and name HE1 ) (resid 31 and name HD2* ) 3.94 2.14 0.39 assign (resid 13 and name HB2 ) (resid 16 and name HG1* ) 4.02 2.22 0.40 assign (resid 71 and name HB1 ) (resid 105 and name HG2* ) 2.96 1.16 0.30 assign (resid 16 and name HG2* ) (resid 17 and name HN ) 3.44 1.64 0.34 assign (resid 16 and name HG2* ) (resid 69 and name HZ3 ) 4.90 3.10 0.49 assign (resid 16 and name HG2* ) (resid 24 and name HE* ) 4.31 2.51 0.43 assign (resid 15 and name HA ) (resid 16 and name HG2* ) 4.24 2.44 0.42 assign (resid 41 and name HG2* ) (resid 83 and name HA ) 4.66 2.86 0.47 assign (resid 16 and name HG2* ) (resid 70 and name HA ) 4.96 3.16 0.50 assign (resid 16 and name HG2* ) (resid 17 and name HA1 ) 4.55 2.75 0.46 assign (resid 16 and name HG2* ) (resid 18 and name HA ) 4.57 2.77 0.46 assign (resid 41 and name HG2* ) (resid 53 and name HB2 ) 4.26 2.46 0.43 assign (resid 16 and name HG2* ) (resid 71 and name HD1 ) 3.63 1.83 0.36 assign (resid 16 and name HG2* ) (resid 22 and name HB* ) 2.96 1.16 0.30 assign (resid 16 and name HG2* ) (resid 71 and name HG1 ) 3.23 1.43 0.32 assign (resid 41 and name HG2* ) (resid 65 and name HD1* ) 3.58 1.78 0.36 assign (resid 18 and name HG1* ) (resid 74 and name HN ) 4.70 2.90 0.47 assign (resid 18 and name HG1* ) (resid 19 and name HN ) 3.55 1.75 0.35 assign (resid 18 and name HG1* ) (resid 19 and name HD21 ) 3.65 1.85 0.37 assign (resid 90 and name HG1* ) (resid 91 and name HA ) 4.46 2.66 0.45 assign (resid 17 and name HA2 ) (resid 18 and name HG1* ) 4.45 2.65 0.44 assign (resid 18 and name HG1* ) (resid 72 and name HA ) 4.57 2.77 0.46 assign (resid 18 and name HG1* ) (resid 107 and name HA ) 3.31 1.51 0.33 assign (resid 18 and name HA ) (resid 18 and name HG1* ) 3.49 1.69 0.35 assign (resid 18 and name HG1* ) (resid 19 and name HB2 ) 3.71 1.91 0.37 assign (resid 18 and name HB ) (resid 107 and name HA ) 4.07 2.27 0.41 assign (resid 18 and name HB ) (resid 74 and name HA ) 4.82 3.02 0.48 assign (resid 28 and name HB ) (resid 63 and name HB2 ) 4.67 2.87 0.47 assign (resid 28 and name HB ) (resid 57 and name HD1* ) 3.72 1.92 0.37 assign (resid 4 and name HB1 ) (resid 34 and name HG2* ) 3.89 2.09 0.39 assign (resid 26 and name HB ) (resid 65 and name HB2 ) 3.73 1.93 0.37 assign (resid 26 and name HG1* ) (resid 27 and name HN ) 3.54 1.74 0.35 assign (resid 26 and name HG1* ) (resid 42 and name HN ) 5.50 3.70 0.55 assign (resid 26 and name HG1* ) (resid 67 and name HE* ) 4.75 2.95 0.47 assign (resid 26 and name HG1* ) (resid 53 and name HZ3 ) 5.49 3.69 0.55 assign (resid 10 and name HA ) (resid 26 and name HG1* ) 4.28 2.48 0.43 assign (resid 26 and name HA ) (resid 26 and name HG1* ) 3.38 1.58 0.34 assign (resid 26 and name HG1* ) (resid 81 and name HB* ) 3.34 1.54 0.33 assign (resid 16 and name HN ) (resid 105 and name HG1* ) 4.88 3.08 0.49 assign (resid 105 and name HG1* ) (resid 106 and name HN ) 3.46 1.66 0.35 assign (resid 73 and name HN ) (resid 105 and name HG1* ) 4.55 2.75 0.46 assign (resid 105 and name HG1* ) (resid 106 and name HA ) 4.76 2.96 0.48 assign (resid 18 and name HA ) (resid 105 and name HG1* ) 3.52 1.72 0.35 assign (resid 74 and name HB1 ) (resid 105 and name HG1* ) 4.26 2.46 0.43 assign (resid 74 and name HB2 ) (resid 105 and name HG1* ) 4.71 2.91 0.47 assign (resid 16 and name HB ) (resid 105 and name HG1* ) 5.04 3.24 0.50 assign (resid 18 and name HB ) (resid 105 and name HG1* ) 3.48 1.68 0.35 assign (resid 71 and name HB2 ) (resid 105 and name HG1* ) 3.55 1.75 0.35 assign (resid 71 and name HB1 ) (resid 105 and name HG1* ) 3.79 1.99 0.38 assign (resid 4 and name HD1 ) (resid 36 and name HG2* ) 3.78 1.98 0.38 assign (resid 4 and name HB2 ) (resid 36 and name HG2* ) 3.28 1.48 0.33 assign (resid 4 and name HB1 ) (resid 36 and name HG2* ) 3.28 1.48 0.33 assign (resid 42 and name HB1 ) (resid 49 and name HD1* ) 4.32 2.52 0.43 assign (resid 43 and name HG2* ) (resid 44 and name HN ) 4.27 2.47 0.43 assign (resid 43 and name HG2* ) (resid 53 and name HE3 ) 3.98 2.18 0.40 assign (resid 43 and name HG2* ) (resid 50 and name HD* ) 3.95 2.15 0.40 assign (resid 43 and name HG2* ) (resid 53 and name HZ3 ) 3.33 1.53 0.33 assign (resid 43 and name HG2* ) (resid 81 and name HA ) 4.05 2.25 0.41 assign (resid 43 and name HG2* ) (resid 81 and name HB* ) 3.34 1.54 0.33 assign (resid 7 and name HN ) (resid 83 and name HG1* ) 4.47 2.67 0.45 assign (resid 6 and name HN ) (resid 83 and name HG1* ) 4.85 3.05 0.48 assign (resid 83 and name HG1* ) (resid 84 and name HN ) 4.89 3.09 0.49 assign (resid 82 and name HA ) (resid 83 and name HG1* ) 4.10 2.30 0.41 assign (resid 83 and name HG1* ) (resid 98 and name HA ) 5.11 3.31 0.51 assign (resid 7 and name HA ) (resid 83 and name HG1* ) 3.85 2.05 0.38 assign (resid 83 and name HG1* ) (resid 97 and name HB1 ) 4.29 2.49 0.43 assign (resid 83 and name HG1* ) (resid 84 and name HB2 ) 4.54 2.74 0.45 assign (resid 6 and name HG ) (resid 83 and name HG1* ) 4.83 3.03 0.48 assign (resid 6 and name HB1 ) (resid 83 and name HG1* ) 3.52 1.72 0.35 assign (resid 8 and name HG1* ) (resid 83 and name HG1* ) 3.17 1.37 0.32 assign (resid 6 and name HN ) (resid 83 and name HG2* ) 5.22 3.42 0.52 assign (resid 41 and name HA ) (resid 83 and name HG2* ) 4.62 2.82 0.46 assign (resid 83 and name HG2* ) (resid 84 and name HA ) 4.14 2.34 0.41 assign (resid 83 and name HG2* ) (resid 97 and name HA ) 5.50 3.70 0.55 assign (resid 39 and name HB ) (resid 83 and name HG2* ) 4.89 3.09 0.49 assign (resid 41 and name HB ) (resid 83 and name HG2* ) 5.50 3.70 0.55 assign (resid 6 and name HB1 ) (resid 83 and name HG2* ) 3.67 1.87 0.37 assign (resid 8 and name HG1* ) (resid 83 and name HG2* ) 3.71 1.91 0.37 assign (resid 6 and name HD1* ) (resid 97 and name HD22 ) 4.91 3.11 0.49 assign (resid 6 and name HD1* ) (resid 7 and name HN ) 5.50 3.70 0.55 assign (resid 6 and name HD1* ) (resid 97 and name HD21 ) 4.91 3.11 0.49 assign (resid 6 and name HD1* ) (resid 84 and name HA ) 4.59 2.79 0.46 assign (resid 6 and name HD1* ) (resid 36 and name HA ) 4.81 3.01 0.48 assign (resid 6 and name HD1* ) (resid 39 and name HB ) 4.12 2.32 0.41 assign (resid 6 and name HD1* ) (resid 84 and name HB2 ) 3.72 1.92 0.37 assign (resid 6 and name HD1* ) (resid 57 and name HD1* ) 4.18 2.38 0.42 assign (resid 6 and name HD2* ) (resid 7 and name HN ) 4.30 2.50 0.43 assign (resid 6 and name HD2* ) (resid 39 and name HA ) 4.47 2.67 0.45 assign (resid 6 and name HD2* ) (resid 36 and name HA ) 5.16 3.36 0.52 assign (resid 6 and name HD2* ) (resid 30 and name HB2 ) 4.11 2.31 0.41 assign (resid 3 and name HB2 ) (resid 92 and name HG ) 4.06 2.26 0.41 assign (resid 21 and name HA ) (resid 69 and name HN ) 4.73 2.93 0.47 assign (resid 21 and name HD2* ) (resid 22 and name HN ) 4.52 2.72 0.45 assign (resid 21 and name HD2* ) (resid 23 and name HN ) 5.50 3.70 0.55 assign (resid 21 and name HD2* ) (resid 68 and name HA ) 5.15 3.35 0.52 assign (resid 21 and name HD2* ) (resid 23 and name HA ) 5.50 3.70 0.55 assign (resid 21 and name HD2* ) (resid 22 and name HA ) 5.26 3.46 0.53 assign (resid 21 and name HD2* ) (resid 68 and name HB2 ) 4.06 2.26 0.41 assign (resid 21 and name HD2* ) (resid 68 and name HB1 ) 4.06 2.26 0.41 assign (resid 21 and name HD2* ) (resid 23 and name HG1 ) 3.77 1.97 0.38 assign (resid 21 and name HD1* ) (resid 22 and name HN ) 3.57 1.77 0.36 assign (resid 21 and name HD1* ) (resid 68 and name HA ) 4.16 2.36 0.42 assign (resid 30 and name HA ) (resid 31 and name HD1* ) 4.89 3.09 0.49 assign (resid 21 and name HD1* ) (resid 70 and name HA ) 4.16 2.36 0.42 assign (resid 20 and name HA ) (resid 21 and name HD1* ) 5.16 3.36 0.52 assign (resid 7 and name HB ) (resid 31 and name HD1* ) 4.03 2.23 0.40 assign (resid 20 and name HE* ) (resid 21 and name HD1* ) 5.50 3.70 0.55 assign (resid 5 and name HB1 ) (resid 31 and name HD1* ) 3.89 2.09 0.39 assign (resid 30 and name HA ) (resid 31 and name HA ) 4.58 2.78 0.46 assign (resid 91 and name HA ) (resid 92 and name HB* ) 4.77 2.97 0.48 assign (resid 92 and name HB* ) (resid 93 and name HB2 ) 4.70 2.90 0.47 assign (resid 5 and name HB2 ) (resid 92 and name HB* ) 3.70 1.90 0.37 assign (resid 3 and name HB2 ) (resid 92 and name HB* ) 4.89 3.09 0.49 assign (resid 5 and name HB1 ) (resid 92 and name HB* ) 5.33 3.53 0.53 assign (resid 17 and name HN ) (resid 20 and name HE* ) 4.86 3.06 0.49 assign (resid 20 and name HA ) (resid 20 and name HE* ) 4.17 2.37 0.42 assign (resid 20 and name HB2 ) (resid 20 and name HE* ) 4.11 2.31 0.41 assign (resid 42 and name HD2 ) (resid 49 and name HD1* ) 4.36 2.56 0.44 assign (resid 30 and name HB2 ) (resid 60 and name HA ) 4.86 3.06 0.49 assign (resid 31 and name HD2* ) (resid 60 and name HA ) 4.64 2.84 0.46 assign (resid 77 and name HD* ) (resid 105 and name HB ) 4.55 2.75 0.46 assign (resid 29 and name HG2 ) (resid 62 and name HB2 ) 4.53 2.73 0.45 assign (resid 16 and name HG2* ) (resid 20 and name HB2 ) 4.19 2.39 0.42 assign (resid 29 and name HG2 ) (resid 62 and name HG1 ) 4.43 2.63 0.44 assign (resid 29 and name HG2 ) (resid 62 and name HG2 ) 5.02 3.22 0.50 assign (resid 62 and name HG2 ) (resid 64 and name HG2* ) 4.50 2.70 0.45 assign (resid 9 and name HA ) (resid 99 and name HB* ) 3.15 1.35 0.32 assign (resid 8 and name HG2* ) (resid 9 and name HA ) 3.93 2.13 0.39 assign (resid 61 and name HG2 ) (resid 63 and name HG* ) 4.54 2.74 0.45 assign (resid 82 and name HG1 ) (resid 85 and name HG* ) 4.17 2.37 0.42 assign (resid 84 and name HA ) (resid 85 and name HG* ) 5.24 3.44 0.52 assign (resid 82 and name HB ) (resid 85 and name HG* ) 4.03 2.23 0.40 assign (resid 82 and name HG1 ) (resid 85 and name HB1 ) 4.75 2.95 0.47 assign (resid 82 and name HB ) (resid 85 and name HB1 ) 4.73 2.93 0.47 assign (resid 82 and name HG2* ) (resid 85 and name HB1 ) 5.21 3.41 0.52 assign (resid 82 and name HG1 ) (resid 85 and name HB2 ) 4.64 2.84 0.46 assign (resid 84 and name HA ) (resid 85 and name HB2 ) 4.92 3.12 0.49 assign (resid 82 and name HG2* ) (resid 85 and name HB2 ) 5.50 3.70 0.55 assign (resid 74 and name HG2 ) (resid 107 and name HG ) 4.59 2.79 0.46 assign (resid 8 and name HA ) (resid 9 and name HG* ) 4.82 3.02 0.48 assign (resid 9 and name HG* ) (resid 27 and name HB2 ) 4.38 2.58 0.44 assign (resid 9 and name HG* ) (resid 27 and name HB1 ) 4.38 2.58 0.44 assign (resid 9 and name HG* ) (resid 99 and name HB* ) 3.71 1.91 0.37 assign (resid 74 and name HB1 ) (resid 106 and name HA ) 4.73 2.93 0.47 assign (resid 74 and name HB1 ) (resid 107 and name HG ) 4.61 2.81 0.46 assign (resid 74 and name HB2 ) (resid 107 and name HN ) 4.68 2.88 0.47 assign (resid 74 and name HB2 ) (resid 106 and name HA ) 4.81 3.01 0.48 assign (resid 18 and name HG2* ) (resid 74 and name HB2 ) 4.93 3.13 0.49 assign (resid 2 and name HA ) (resid 34 and name HG2* ) 4.98 3.18 0.50 assign (resid 2 and name HA ) (resid 3 and name HD* ) 4.58 2.78 0.46 assign (resid 13 and name HB1 ) (resid 24 and name HH ) 4.80 3.00 0.48 assign (resid 13 and name HB1 ) (resid 16 and name HG1* ) 4.02 2.22 0.40 assign (resid 16 and name HG2* ) (resid 20 and name HB1 ) 5.21 3.41 0.52 assign (resid 35 and name HN ) (resid 59 and name HG1 ) 4.52 2.72 0.45 assign (resid 35 and name HA1 ) (resid 59 and name HG1 ) 5.50 3.70 0.55 assign (resid 35 and name HN ) (resid 59 and name HG2 ) 5.46 3.66 0.55 assign (resid 33 and name HA2 ) (resid 59 and name HB2 ) 4.39 2.59 0.44 assign (resid 35 and name HN ) (resid 59 and name HB1 ) 4.54 2.74 0.45 assign (resid 36 and name HG1* ) (resid 37 and name HG2 ) 4.24 2.44 0.42 assign (resid 3 and name HA ) (resid 4 and name HG1 ) 4.50 2.70 0.45 assign (resid 36 and name HA ) (resid 37 and name HG1 ) 4.48 2.68 0.45 assign (resid 4 and name HG1 ) (resid 34 and name HG2* ) 3.57 1.77 0.36 assign (resid 13 and name HG1 ) (resid 24 and name HH ) 5.13 3.33 0.51 assign (resid 13 and name HG1 ) (resid 16 and name HG1* ) 3.98 2.18 0.40 assign (resid 3 and name HA ) (resid 4 and name HG2 ) 4.55 2.75 0.46 assign (resid 13 and name HB2 ) (resid 24 and name HH ) 4.80 3.00 0.48 assign (resid 41 and name HB ) (resid 53 and name HE3 ) 3.97 2.17 0.40 assign (resid 40 and name HA ) (resid 41 and name HB ) 4.76 2.96 0.48 assign (resid 41 and name HB ) (resid 53 and name HB2 ) 4.13 2.33 0.41 assign (resid 1 and name HB2 ) (resid 3 and name HE* ) 4.98 3.18 0.50 assign (resid 57 and name HA ) (resid 61 and name HB1 ) 4.41 2.61 0.44 assign (resid 63 and name HE2 ) (resid 65 and name HD2* ) 5.15 3.35 0.52 assign (resid 51 and name HE2 ) (resid 53 and name HZ2 ) 4.78 2.98 0.48 assign (resid 3 and name HB2 ) (resid 90 and name HG1* ) 5.42 3.62 0.54 assign (resid 106 and name HA ) (resid 107 and name HG ) 4.70 2.90 0.47 assign (resid 74 and name HG1 ) (resid 107 and name HG ) 4.59 2.79 0.46 assign (resid 74 and name HB2 ) (resid 107 and name HG ) 5.17 3.37 0.52 assign (resid 11 and name HA ) (resid 11 and name HD1 ) 4.77 2.97 0.48 assign (resid 40 and name HA ) (resid 40 and name HD2 ) 5.45 3.65 0.55 assign (resid 40 and name HA ) (resid 40 and name HD1 ) 5.45 3.65 0.55 assign (resid 60 and name HN ) (resid 60 and name HD* ) 4.24 2.44 0.42 assign (resid 60 and name HA ) (resid 60 and name HD* ) 4.24 2.44 0.42 assign (resid 20 and name HD2 ) (resid 21 and name HN ) 4.34 2.54 0.43 assign (resid 29 and name HG2 ) (resid 62 and name HA ) 4.52 2.72 0.45 assign (resid 3 and name HD* ) (resid 92 and name HD2* ) 3.69 1.89 0.37 assign (resid 91 and name HA ) (resid 92 and name HD2* ) 5.31 3.51 0.53 assign (resid 91 and name HA ) (resid 92 and name HD1* ) 5.50 3.70 0.55 assign (resid 5 and name HA ) (resid 92 and name HD1* ) 4.39 2.59 0.44 assign (resid 2 and name HA ) (resid 92 and name HD2* ) 5.02 3.22 0.50 assign (resid 3 and name HB1 ) (resid 92 and name HD2* ) 3.78 1.98 0.38 assign (resid 5 and name HB2 ) (resid 92 and name HD1* ) 3.70 1.90 0.37 assign (resid 3 and name HB2 ) (resid 92 and name HD2* ) 3.42 1.62 0.34 assign (resid 30 and name HN ) (resid 57 and name HD2* ) 4.29 2.49 0.43 assign (resid 29 and name HA ) (resid 57 and name HD2* ) 3.89 2.09 0.39 assign (resid 57 and name HD2* ) (resid 62 and name HA ) 4.00 2.20 0.40 assign (resid 57 and name HD2* ) (resid 63 and name HA ) 4.39 2.59 0.44 assign (resid 57 and name HD2* ) (resid 61 and name HA ) 4.69 2.89 0.47 assign (resid 56 and name HB* ) (resid 57 and name HD2* ) 5.50 3.70 0.55 assign (resid 30 and name HB2 ) (resid 57 and name HD2* ) 4.43 2.63 0.44 assign (resid 57 and name HD2* ) (resid 63 and name HE2 ) 4.97 3.17 0.50 assign (resid 57 and name HD2* ) (resid 61 and name HG2 ) 3.83 2.03 0.38 assign (resid 57 and name HD2* ) (resid 61 and name HG1 ) 3.83 2.03 0.38 assign (resid 57 and name HD2* ) (resid 61 and name HB1 ) 3.51 1.71 0.35 assign (resid 28 and name HB ) (resid 57 and name HD2* ) 4.92 3.12 0.49 assign (resid 57 and name HD2* ) (resid 62 and name HB2 ) 5.41 3.61 0.54 assign (resid 28 and name HG2* ) (resid 57 and name HD2* ) 3.27 1.47 0.33 assign (resid 106 and name HN ) (resid 106 and name HG1* ) 3.28 1.48 0.33 assign (resid 105 and name HA ) (resid 106 and name HG1* ) 4.24 2.44 0.42 assign (resid 28 and name HG2* ) (resid 29 and name HA ) 4.03 2.23 0.40 assign (resid 28 and name HG2* ) (resid 62 and name HA ) 4.33 2.53 0.43 assign (resid 106 and name HA ) (resid 106 and name HG1* ) 3.08 1.28 0.31 assign (resid 28 and name HG2* ) (resid 64 and name HA ) 4.32 2.52 0.43 assign (resid 28 and name HG2* ) (resid 63 and name HB1 ) 3.27 1.47 0.33 assign (resid 83 and name HN ) (resid 98 and name HG2* ) 3.97 2.17 0.40 assign (resid 80 and name HD21 ) (resid 98 and name HG2* ) 4.98 3.18 0.50 assign (resid 97 and name HB2 ) (resid 98 and name HG2* ) 4.32 2.52 0.43 assign (resid 97 and name HB1 ) (resid 98 and name HG2* ) 4.32 2.52 0.43 assign (resid 80 and name HB1 ) (resid 98 and name HG2* ) 5.40 3.60 0.54 assign (resid 85 and name HG* ) (resid 98 and name HG2* ) 5.06 3.26 0.51 assign (resid 82 and name HG2* ) (resid 98 and name HG2* ) 2.94 1.14 0.29 assign (resid 81 and name HN ) (resid 98 and name HG1* ) 4.33 2.53 0.43 assign (resid 98 and name HN ) (resid 98 and name HG1* ) 4.13 2.33 0.41 assign (resid 80 and name HA ) (resid 98 and name HG1* ) 4.67 2.87 0.47 assign (resid 82 and name HA ) (resid 98 and name HG1* ) 4.32 2.52 0.43 assign (resid 98 and name HA ) (resid 98 and name HG1* ) 3.34 1.54 0.33 assign (resid 80 and name HB1 ) (resid 98 and name HG1* ) 4.19 2.39 0.42 assign (resid 82 and name HG2* ) (resid 98 and name HG1* ) 3.21 1.41 0.32 assign (resid 26 and name HB ) (resid 65 and name HG ) 4.86 3.06 0.49 assign (resid 63 and name HB2 ) (resid 65 and name HG ) 5.07 3.27 0.51 assign (resid 107 and name HD1* ) (resid 108 and name HN ) 5.29 3.49 0.53 assign (resid 107 and name HD2* ) (resid 108 and name HN ) 5.50 3.70 0.55 assign (resid 18 and name HN ) (resid 107 and name HD2* ) 4.63 2.83 0.46 assign (resid 106 and name HA ) (resid 107 and name HD2* ) 4.63 2.83 0.46 assign (resid 73 and name HA ) (resid 107 and name HD2* ) 4.68 2.88 0.47 assign (resid 74 and name HB2 ) (resid 107 and name HD2* ) 3.61 1.81 0.36 assign (resid 30 and name HA ) (resid 31 and name HG ) 4.49 2.69 0.45 assign (resid 53 and name HB1 ) (resid 55 and name HG1* ) 3.81 2.01 0.38 assign (resid 55 and name HG1* ) (resid 65 and name HD1* ) 3.79 1.99 0.38 assign (resid 34 and name HG11 ) (resid 59 and name HB1 ) 5.50 3.70 0.55 assign (resid 63 and name HG* ) (resid 65 and name HD2* ) 4.87 3.07 0.49 assign (resid 23 and name HG2 ) (resid 66 and name HG2* ) 4.57 2.77 0.46 assign (resid 55 and name HB ) (resid 63 and name HB1 ) 5.50 3.70 0.55 assign (resid 55 and name HB ) (resid 63 and name HB2 ) 5.41 3.61 0.54 assign (resid 22 and name HA ) (resid 23 and name HG1 ) 4.67 2.87 0.47 assign (resid 23 and name HG1 ) (resid 68 and name HB2 ) 4.86 3.06 0.49 assign (resid 61 and name HG1 ) (resid 63 and name HG* ) 4.54 2.74 0.45 assign (resid 9 and name HB2 ) (resid 27 and name HB2 ) 4.38 2.58 0.44 assign (resid 9 and name HB2 ) (resid 99 and name HB* ) 5.11 3.31 0.51 assign (resid 3 and name HA ) (resid 92 and name HG ) 5.10 3.30 0.51 assign (resid 5 and name HA ) (resid 92 and name HG ) 5.50 3.70 0.55 assign (resid 5 and name HB2 ) (resid 92 and name HG ) 4.51 2.71 0.45 assign (resid 7 and name HG2* ) (resid 31 and name HD1* ) 2.85 1.05 0.28 assign (resid 16 and name HN ) (resid 106 and name HG2* ) 4.22 2.42 0.42 assign (resid 18 and name HN ) (resid 106 and name HG2* ) 4.40 2.60 0.44 assign (resid 105 and name HA ) (resid 106 and name HG2* ) 3.87 2.07 0.39 assign (resid 17 and name HA2 ) (resid 106 and name HG2* ) 3.77 1.97 0.38 assign (resid 106 and name HG2* ) (resid 107 and name HA ) 5.50 3.70 0.55 assign (resid 106 and name HG2* ) (resid 108 and name HA ) 5.50 3.70 0.55 assign (resid 106 and name HG2* ) (resid 108 and name HB* ) 4.25 2.45 0.43 assign (resid 3 and name HB2 ) (resid 4 and name HD2 ) 4.27 2.47 0.43 assign (resid 3 and name HB2 ) (resid 4 and name HD1 ) 5.15 3.35 0.52 assign (resid 40 and name HB2 ) (resid 84 and name HA ) 4.88 3.08 0.49 assign (resid 41 and name HN ) (resid 41 and name HG1* ) 4.22 2.42 0.42 assign (resid 41 and name HG1* ) (resid 53 and name HE3 ) 3.71 1.91 0.37 assign (resid 41 and name HG1* ) (resid 53 and name HZ3 ) 4.27 2.47 0.43 assign (resid 41 and name HG1* ) (resid 53 and name HB2 ) 4.28 2.48 0.43 assign (resid 26 and name HG1* ) (resid 41 and name HG1* ) 3.20 1.40 0.32 assign (resid 89 and name HA ) (resid 90 and name HG2* ) 3.73 1.93 0.37 assign (resid 28 and name HG1* ) (resid 65 and name HD1* ) 3.88 2.08 0.39 assign (resid 28 and name HG2* ) (resid 65 and name HD1* ) 4.08 2.28 0.41 assign (resid 36 and name HG1* ) (resid 39 and name HN ) 4.40 2.60 0.44 assign (resid 36 and name HN ) (resid 36 and name HG1* ) 3.98 2.18 0.40 assign (resid 36 and name HG1* ) (resid 39 and name HA ) 3.59 1.79 0.36 assign (resid 36 and name HG1* ) (resid 39 and name HB ) 3.79 1.99 0.38 assign (resid 36 and name HG1* ) (resid 38 and name HB2 ) 4.63 2.83 0.46 assign (resid 25 and name HG1 ) (resid 66 and name HG2* ) 4.41 2.61 0.44 assign (resid 25 and name HG1 ) (resid 64 and name HG1* ) 4.64 2.84 0.46 assign (resid 77 and name HB2 ) (resid 103 and name HB ) 4.55 2.75 0.46 assign (resid 103 and name HG2* ) (resid 104 and name HN ) 4.15 2.35 0.42 assign (resid 24 and name HH ) (resid 103 and name HG2* ) 3.92 2.12 0.39 assign (resid 101 and name HE* ) (resid 103 and name HG2* ) 3.67 1.87 0.37 assign (resid 101 and name HB1 ) (resid 103 and name HG2* ) 4.70 2.90 0.47 assign (resid 79 and name HB ) (resid 103 and name HG2* ) 4.29 2.49 0.43 assign (resid 79 and name HG11 ) (resid 103 and name HG2* ) 4.45 2.65 0.44 assign (resid 36 and name HB ) (resid 57 and name HN ) 4.28 2.48 0.43 assign (resid 36 and name HB ) (resid 57 and name HB1 ) 5.18 3.38 0.52 assign (resid 36 and name HB ) (resid 57 and name HD1* ) 5.26 3.46 0.53 assign (resid 30 and name HD21 ) (resid 36 and name HG2* ) 4.20 2.40 0.42 assign (resid 90 and name HN ) (resid 90 and name HG1* ) 4.01 2.21 0.40 assign (resid 3 and name HE* ) (resid 90 and name HG1* ) 3.74 1.94 0.37 assign (resid 90 and name HA ) (resid 90 and name HG1* ) 3.06 1.26 0.31 assign (resid 82 and name HA ) (resid 98 and name HB ) 5.50 3.70 0.55 assign (resid 25 and name HG2 ) (resid 66 and name HG2* ) 4.41 2.61 0.44 assign (resid 25 and name HG2 ) (resid 64 and name HG1* ) 4.64 2.84 0.46 assign (resid 20 and name HD1 ) (resid 21 and name HN ) 5.15 3.35 0.52 assign (resid 20 and name HN ) (resid 20 and name HD1 ) 5.33 3.53 0.53 assign (resid 20 and name HA ) (resid 20 and name HD1 ) 3.65 1.85 0.37 assign (resid 17 and name HA1 ) (resid 20 and name HD1 ) 5.02 3.22 0.50 assign (resid 10 and name HA ) (resid 11 and name HB1 ) 5.10 3.30 0.51 assign (resid 11 and name HB1 ) (resid 11 and name HE2 ) 5.50 3.70 0.55 assign (resid 11 and name HB1 ) (resid 11 and name HE1 ) 5.50 3.70 0.55 assign (resid 11 and name HB1 ) (resid 25 and name HB2 ) 4.17 2.37 0.42 assign (resid 57 and name HD2* ) (resid 63 and name HD1 ) 4.42 2.62 0.44 assign (resid 57 and name HD2* ) (resid 63 and name HD2 ) 4.42 2.62 0.44 assign (resid 57 and name HD2* ) (resid 63 and name HE1 ) 4.97 3.17 0.50 assign (resid 63 and name HE1 ) (resid 65 and name HD2* ) 5.15 3.35 0.52 assign (resid 9 and name HB1 ) (resid 27 and name HN ) 4.58 2.78 0.46 assign (resid 9 and name HN ) (resid 9 and name HB1 ) 3.94 2.14 0.39 assign (resid 9 and name HB1 ) (resid 27 and name HD2 ) 4.85 3.05 0.48 assign (resid 9 and name HB1 ) (resid 27 and name HB2 ) 4.43 2.63 0.44 assign (resid 25 and name HB1 ) (resid 27 and name HD2 ) 4.54 2.74 0.45 assign (resid 25 and name HB1 ) (resid 64 and name HG1* ) 4.09 2.29 0.41 assign (resid 25 and name HB2 ) (resid 66 and name HG2* ) 5.24 3.44 0.52 assign (resid 26 and name HN ) (resid 64 and name HG1* ) 3.83 2.03 0.38 assign (resid 76 and name HA ) (resid 76 and name HE* ) 3.99 2.19 0.40 assign (resid 76 and name HE* ) (resid 102 and name HA ) 4.54 2.74 0.45 assign (resid 76 and name HE* ) (resid 104 and name HA ) 4.17 2.37 0.42 assign (resid 76 and name HE* ) (resid 103 and name HN ) 4.20 2.40 0.42 assign (resid 76 and name HE* ) (resid 102 and name HB2 ) 4.22 2.42 0.42 assign (resid 76 and name HG2 ) (resid 76 and name HE* ) 3.78 1.98 0.38 assign (resid 76 and name HE* ) (resid 102 and name HB1 ) 4.22 2.42 0.42 assign (resid 4 and name HA ) (resid 32 and name HA2 ) 4.13 2.33 0.41 assign (resid 16 and name HG2* ) (resid 17 and name HA2 ) 4.10 2.30 0.41 assign (resid 17 and name HA2 ) (resid 18 and name HB ) 4.45 2.65 0.44 assign (resid 71 and name HD2 ) (resid 105 and name HG2* ) 4.86 3.06 0.49 assign (resid 70 and name HG2* ) (resid 71 and name HD2 ) 3.98 2.18 0.40 assign (resid 43 and name HN ) (resid 52 and name HA ) 4.12 2.32 0.41 assign (resid 6 and name HA ) (resid 6 and name HG ) 4.07 2.27 0.41 assign (resid 45 and name HA ) (resid 45 and name HG12 ) 4.13 2.33 0.41 assign (resid 51 and name HA ) (resid 52 and name HB* ) 4.47 2.67 0.45 assign (resid 18 and name HA ) (resid 71 and name HG2 ) 4.19 2.39 0.42 assign (resid 13 and name HA ) (resid 15 and name HN ) 4.09 2.29 0.41 assign (resid 8 and name HG1* ) (resid 82 and name HA ) 4.33 2.53 0.43 assign (resid 8 and name HG2* ) (resid 82 and name HA ) 4.47 2.67 0.45 assign (resid 76 and name HA ) (resid 105 and name HN ) 3.91 2.11 0.39 assign (resid 82 and name HG2* ) (resid 82 and name HG1 ) 3.46 1.66 0.35 assign (resid 74 and name HG2 ) (resid 107 and name HD1* ) 4.04 2.24 0.40 assign (resid 74 and name HG1 ) (resid 107 and name HD1* ) 4.04 2.24 0.40 assign (resid 74 and name HG2 ) (resid 107 and name HD2* ) 3.83 2.03 0.38 assign (resid 74 and name HG1 ) (resid 107 and name HD2* ) 3.83 2.03 0.38 assign (resid 29 and name HD2 ) (resid 31 and name HD2* ) 2.96 1.16 0.30 assign (resid 16 and name HG2* ) (resid 71 and name HG2 ) 3.31 1.51 0.33 assign (resid 29 and name HD2 ) (resid 31 and name HD1* ) 3.45 1.65 0.34 assign (resid 29 and name HD1 ) (resid 31 and name HD1* ) 3.70 1.90 0.37 assign (resid 29 and name HD1 ) (resid 31 and name HD2* ) 3.27 1.47 0.33 assign (resid 43 and name HB ) (resid 51 and name HB1 ) 3.67 1.87 0.37 assign (resid 43 and name HB ) (resid 51 and name HB2 ) 4.53 2.73 0.45 assign (resid 39 and name HG2* ) (resid 57 and name HG ) 4.15 2.35 0.42 assign (resid 6 and name HD1* ) (resid 57 and name HB2 ) 4.56 2.76 0.46 assign (resid 6 and name HD2* ) (resid 57 and name HB2 ) 3.21 1.41 0.32 assign (resid 6 and name HD2* ) (resid 57 and name HB1 ) 3.22 1.42 0.32 assign (resid 6 and name HD2* ) (resid 30 and name HA ) 3.53 1.73 0.35 assign (resid 28 and name HG2* ) (resid 65 and name HD2* ) 3.88 2.08 0.39 assign (resid 71 and name HG2 ) (resid 105 and name HG2* ) 3.85 2.05 0.38 assign (resid 45 and name HA ) (resid 79 and name HA ) 3.27 1.47 0.33 assign (resid 8 and name HG1* ) (resid 83 and name HB ) 3.06 1.26 0.31 assign (resid 4 and name HG1 ) (resid 89 and name HG1* ) 3.54 1.74 0.35 assign (resid 4 and name HG2 ) (resid 89 and name HG1* ) 3.79 1.99 0.38 assign (resid 4 and name HG1 ) (resid 89 and name HG2* ) 3.54 1.74 0.35 assign (resid 4 and name HG2 ) (resid 89 and name HG2* ) 3.79 1.99 0.38 assign (resid 9 and name HA ) (resid 9 and name HG* ) 4.08 2.28 0.41 assign (resid 9 and name HB1 ) (resid 27 and name HB1 ) 4.43 2.63 0.44 assign (resid 9 and name HB1 ) (resid 99 and name HB* ) 4.88 3.08 0.49 assign (resid 9 and name HN ) (resid 9 and name HG* ) 3.89 2.09 0.39 assign (resid 99 and name HA ) (resid 100 and name HB ) 4.71 2.91 0.47 assign (resid 34 and name HA ) (resid 35 and name HA1 ) 5.31 3.51 0.53 assign (resid 76 and name HA ) (resid 104 and name HA ) 3.70 1.90 0.37 assign (resid 6 and name HA ) (resid 30 and name HA ) 3.78 1.98 0.38 assign (resid 4 and name HD2 ) (resid 91 and name HA ) 4.02 2.22 0.40 assign (resid 36 and name HA ) (resid 37 and name HG2 ) 4.20 2.40 0.42 assign (resid 98 and name HA ) (resid 99 and name HB* ) 3.99 2.19 0.40 assign (resid 19 and name HB1 ) (resid 72 and name HG2* ) 4.69 2.89 0.47 assign (resid 40 and name HE* ) (resid 54 and name HG2* ) 4.96 3.16 0.50 assign (resid 71 and name HG2 ) (resid 105 and name HG1* ) 3.69 1.89 0.37 assign (resid 10 and name HG2* ) (resid 103 and name HG2* ) 5.09 3.29 0.51 assign (resid 10 and name HG2* ) (resid 79 and name HD1* ) 3.79 1.99 0.38 assign (resid 79 and name HD1* ) (resid 103 and name HG1* ) 3.84 2.04 0.38 assign (resid 8 and name HB ) (resid 26 and name HG1* ) 4.03 2.23 0.40 assign (resid 29 and name HB1 ) (resid 62 and name HG1 ) 4.73 2.93 0.47 assign (resid 44 and name HA ) (resid 50 and name HN ) 3.74 1.94 0.37 assign (resid 5 and name HB1 ) (resid 92 and name HD1* ) 4.28 2.48 0.43 assign (resid 6 and name HB1 ) (resid 57 and name HD1* ) 4.42 2.62 0.44 assign (resid 57 and name HD1* ) (resid 63 and name HB2 ) 4.66 2.86 0.47 assign (resid 57 and name HD2* ) (resid 63 and name HG* ) 3.52 1.72 0.35 assign (resid 7 and name HG2* ) (resid 29 and name HD1 ) 4.00 2.20 0.40 assign (resid 24 and name HD* ) (resid 24 and name HH ) 5.20 3.40 0.52 assign (resid 24 and name HD* ) (resid 69 and name HE3 ) 5.27 3.47 0.53 assign (resid 24 and name HD* ) (resid 101 and name HE* ) 5.50 3.70 0.55 assign (resid 11 and name HN ) (resid 24 and name HD* ) 4.53 2.73 0.45 assign (resid 23 and name HA ) (resid 24 and name HD* ) 4.37 2.57 0.44 assign (resid 24 and name HA ) (resid 24 and name HD* ) 3.82 2.02 0.38 assign (resid 12 and name HA2 ) (resid 24 and name HD* ) 4.09 2.29 0.41 assign (resid 12 and name HA1 ) (resid 24 and name HD* ) 4.04 2.24 0.40 assign (resid 13 and name HD2 ) (resid 24 and name HD* ) 4.21 2.41 0.42 assign (resid 22 and name HB* ) (resid 24 and name HD* ) 3.78 1.98 0.38 assign (resid 10 and name HG2* ) (resid 24 and name HD* ) 3.43 1.63 0.34 assign (resid 24 and name HD* ) (resid 79 and name HD1* ) 4.37 2.57 0.44 assign (resid 24 and name HE* ) (resid 24 and name HH ) 2.94 1.14 0.29 assign (resid 24 and name HE* ) (resid 101 and name HE* ) 3.30 1.50 0.33 assign (resid 24 and name HN ) (resid 24 and name HE* ) 5.35 3.55 0.54 assign (resid 24 and name HE* ) (resid 67 and name HE* ) 5.20 3.40 0.52 assign (resid 24 and name HE* ) (resid 69 and name HZ3 ) 5.50 3.70 0.55 assign (resid 24 and name HD* ) (resid 67 and name HE* ) 4.11 2.31 0.41 assign (resid 10 and name HG2* ) (resid 24 and name HE* ) 3.93 2.13 0.39 assign (resid 24 and name HE* ) (resid 79 and name HD1* ) 3.90 2.10 0.39 assign (resid 16 and name HG1* ) (resid 24 and name HE* ) 3.66 1.86 0.37 assign (resid 24 and name HE* ) (resid 103 and name HG2* ) 3.78 1.98 0.38 assign (resid 22 and name HB* ) (resid 24 and name HE* ) 2.95 1.15 0.30 assign (resid 13 and name HG2 ) (resid 24 and name HE* ) 3.80 2.00 0.38 assign (resid 13 and name HD1 ) (resid 24 and name HE* ) 4.35 2.55 0.44 assign (resid 13 and name HD2 ) (resid 24 and name HE* ) 3.82 2.02 0.38 assign (resid 12 and name HA1 ) (resid 24 and name HE* ) 4.15 2.35 0.42 assign (resid 12 and name HA2 ) (resid 24 and name HE* ) 4.64 2.84 0.46 assign (resid 14 and name HA ) (resid 24 and name HE* ) 4.51 2.71 0.45 assign (resid 22 and name HA ) (resid 24 and name HE* ) 4.67 2.87 0.47 assign (resid 13 and name HG1 ) (resid 24 and name HE* ) 4.21 2.41 0.42 assign (resid 77 and name HD* ) (resid 105 and name HN ) 4.06 2.26 0.41 assign (resid 69 and name HZ2 ) (resid 77 and name HD* ) 4.15 2.35 0.42 assign (resid 76 and name HA ) (resid 77 and name HD* ) 4.04 2.24 0.40 assign (resid 77 and name HA ) (resid 77 and name HD* ) 3.98 2.18 0.40 assign (resid 71 and name HB1 ) (resid 77 and name HD* ) 4.91 3.11 0.49 assign (resid 77 and name HD* ) (resid 103 and name HG1* ) 5.20 3.40 0.52 assign (resid 77 and name HD* ) (resid 105 and name HG2* ) 3.31 1.51 0.33 assign (resid 77 and name HD* ) (resid 105 and name HG1* ) 4.35 2.55 0.44 assign (resid 45 and name HG2* ) (resid 77 and name HD* ) 3.31 1.51 0.33 assign (resid 77 and name HD* ) (resid 103 and name HB ) 4.55 2.75 0.46 assign (resid 76 and name HE* ) (resid 77 and name HD* ) 5.43 3.63 0.54 assign (resid 74 and name HA ) (resid 77 and name HD* ) 4.80 3.00 0.48 assign (resid 77 and name HD* ) (resid 104 and name HA ) 4.79 2.99 0.48 assign (resid 75 and name HN ) (resid 77 and name HE* ) 3.87 2.07 0.39 assign (resid 77 and name HE* ) (resid 105 and name HN ) 4.62 2.82 0.46 assign (resid 74 and name HN ) (resid 77 and name HE* ) 5.06 3.26 0.51 assign (resid 69 and name HZ2 ) (resid 77 and name HE* ) 4.32 2.52 0.43 assign (resid 74 and name HA ) (resid 77 and name HE* ) 3.82 2.02 0.38 assign (resid 77 and name HE* ) (resid 105 and name HB ) 3.25 1.45 0.33 assign (resid 77 and name HE* ) (resid 105 and name HG2* ) 3.20 1.40 0.32 assign (resid 77 and name HE* ) (resid 105 and name HG1* ) 3.76 1.96 0.38 assign (resid 45 and name HG2* ) (resid 77 and name HE* ) 3.90 2.10 0.39 assign (resid 71 and name HB1 ) (resid 77 and name HE* ) 4.76 2.96 0.48 assign (resid 71 and name HB2 ) (resid 77 and name HE* ) 4.44 2.64 0.44 assign (resid 74 and name HB2 ) (resid 77 and name HE* ) 5.50 3.70 0.55 assign (resid 27 and name HN ) (resid 27 and name HD2 ) 4.12 2.32 0.41 assign (resid 27 and name HD2 ) (resid 64 and name HG1* ) 4.30 2.50 0.43 assign (resid 11 and name HB2 ) (resid 27 and name HD2 ) 3.49 1.69 0.35 assign (resid 25 and name HB2 ) (resid 27 and name HD2 ) 4.00 2.20 0.40 assign (resid 27 and name HA ) (resid 27 and name HD2 ) 3.87 2.07 0.39 assign (resid 27 and name HE1 ) (resid 64 and name HG2* ) 4.11 2.31 0.41 assign (resid 44 and name HD* ) (resid 45 and name HN ) 3.89 2.09 0.39 assign (resid 50 and name HD* ) (resid 51 and name HN ) 3.81 2.01 0.38 assign (resid 50 and name HD* ) (resid 67 and name HD* ) 4.49 2.69 0.45 assign (resid 44 and name HD* ) (resid 49 and name HN ) 3.99 2.19 0.40 assign (resid 44 and name HN ) (resid 44 and name HD* ) 3.36 1.56 0.34 assign (resid 44 and name HA ) (resid 44 and name HD* ) 3.47 1.67 0.35 assign (resid 44 and name HD* ) (resid 81 and name HA ) 4.26 2.46 0.43 assign (resid 50 and name HA ) (resid 50 and name HD* ) 2.95 1.15 0.30 assign (resid 44 and name HD* ) (resid 49 and name HA ) 3.62 1.82 0.36 assign (resid 44 and name HD* ) (resid 80 and name HB1 ) 4.34 2.54 0.43 assign (resid 43 and name HB ) (resid 50 and name HD* ) 3.51 1.71 0.35 assign (resid 44 and name HD* ) (resid 82 and name HG2* ) 3.84 2.04 0.38 assign (resid 45 and name HD1* ) (resid 50 and name HD* ) 3.56 1.76 0.36 assign (resid 50 and name HD* ) (resid 51 and name HB1 ) 4.17 2.37 0.42 assign (resid 45 and name HG11 ) (resid 50 and name HD* ) 4.25 2.45 0.43 assign (resid 43 and name HG1* ) (resid 50 and name HD* ) 3.13 1.33 0.31 assign (resid 44 and name HD* ) (resid 49 and name HD1* ) 3.38 1.58 0.34 assign (resid 44 and name HE* ) (resid 49 and name HN ) 4.86 3.06 0.49 assign (resid 44 and name HA ) (resid 44 and name HE* ) 4.65 2.85 0.47 assign (resid 44 and name HE* ) (resid 49 and name HA ) 4.03 2.23 0.40 assign (resid 44 and name HE* ) (resid 49 and name HD1* ) 3.62 1.82 0.36 assign (resid 44 and name HE* ) (resid 82 and name HG2* ) 3.53 1.73 0.35 assign (resid 44 and name HE* ) (resid 49 and name HD2* ) 4.08 2.28 0.41 assign (resid 44 and name HE* ) (resid 85 and name HG* ) 3.83 2.03 0.38 assign (resid 50 and name HE* ) (resid 68 and name HN ) 4.92 3.12 0.49 assign (resid 50 and name HE* ) (resid 69 and name HN ) 5.33 3.53 0.53 assign (resid 50 and name HE* ) (resid 67 and name HD* ) 3.16 1.36 0.32 assign (resid 45 and name HD1* ) (resid 50 and name HE* ) 3.98 2.18 0.40 assign (resid 43 and name HG1* ) (resid 50 and name HE* ) 4.21 2.41 0.42 assign (resid 43 and name HG2* ) (resid 50 and name HE* ) 4.68 2.88 0.47 assign (resid 50 and name HE* ) (resid 51 and name HB1 ) 4.84 3.04 0.48 assign (resid 50 and name HE* ) (resid 51 and name HG2 ) 5.22 3.42 0.52 assign (resid 43 and name HB ) (resid 50 and name HE* ) 4.64 2.84 0.46 assign (resid 50 and name HE* ) (resid 51 and name HD* ) 4.79 2.99 0.48 assign (resid 50 and name HE* ) (resid 67 and name HB2 ) 3.87 2.07 0.39 assign (resid 50 and name HE* ) (resid 69 and name HB2 ) 4.47 2.67 0.45 assign (resid 50 and name HE* ) (resid 69 and name HB1 ) 4.47 2.67 0.45 assign (resid 26 and name HG2* ) (resid 67 and name HD* ) 3.35 1.55 0.34 assign (resid 43 and name HG2* ) (resid 67 and name HD* ) 4.16 2.36 0.42 assign (resid 43 and name HG1* ) (resid 67 and name HD* ) 4.67 2.87 0.47 assign (resid 66 and name HA ) (resid 67 and name HD* ) 4.33 2.53 0.43 assign (resid 67 and name HA ) (resid 67 and name HD* ) 4.02 2.22 0.40 assign (resid 69 and name HH2 ) (resid 77 and name HD* ) 3.98 2.18 0.40 assign (resid 69 and name HZ2 ) (resid 71 and name HA ) 4.24 2.44 0.42 assign (resid 45 and name HD1* ) (resid 69 and name HZ2 ) 4.45 2.65 0.44 assign (resid 45 and name HG2* ) (resid 69 and name HZ2 ) 3.79 1.99 0.38 assign (resid 69 and name HZ2 ) (resid 105 and name HG2* ) 4.35 2.55 0.44 assign (resid 69 and name HZ2 ) (resid 71 and name HB1 ) 3.83 2.03 0.38 assign (resid 69 and name HZ2 ) (resid 71 and name HB2 ) 4.18 2.38 0.42 assign (resid 69 and name HH2 ) (resid 77 and name HB2 ) 4.15 2.35 0.42 assign (resid 69 and name HH2 ) (resid 77 and name HB1 ) 4.15 2.35 0.42 assign (resid 69 and name HH2 ) (resid 103 and name HB ) 4.33 2.53 0.43 assign (resid 69 and name HH2 ) (resid 71 and name HB1 ) 3.82 2.02 0.38 assign (resid 69 and name HH2 ) (resid 71 and name HB2 ) 5.24 3.44 0.52 assign (resid 69 and name HH2 ) (resid 103 and name HG2* ) 5.50 3.70 0.55 assign (resid 69 and name HH2 ) (resid 105 and name HG2* ) 3.33 1.53 0.33 assign (resid 69 and name HH2 ) (resid 71 and name HG1 ) 4.48 2.68 0.45 assign (resid 45 and name HG2* ) (resid 69 and name HH2 ) 4.30 2.50 0.43 assign (resid 24 and name HE* ) (resid 69 and name HE3 ) 3.69 1.89 0.37 assign (resid 22 and name HB* ) (resid 69 and name HE3 ) 4.11 2.31 0.41 assign (resid 69 and name HE3 ) (resid 103 and name HG1* ) 4.50 2.70 0.45 assign (resid 69 and name HZ3 ) (resid 105 and name HG2* ) 4.19 2.39 0.42 assign (resid 69 and name HZ3 ) (resid 103 and name HG2* ) 4.06 2.26 0.41 assign (resid 53 and name HZ2 ) (resid 67 and name HA ) 4.21 2.41 0.42 assign (resid 53 and name HZ2 ) (resid 67 and name HB1 ) 3.70 1.90 0.37 assign (resid 51 and name HE1 ) (resid 53 and name HZ2 ) 4.78 2.98 0.48 assign (resid 51 and name HD* ) (resid 53 and name HZ2 ) 4.17 2.37 0.42 assign (resid 51 and name HB1 ) (resid 53 and name HZ2 ) 4.19 2.39 0.42 assign (resid 51 and name HG2 ) (resid 53 and name HZ2 ) 4.32 2.52 0.43 assign (resid 51 and name HB2 ) (resid 53 and name HZ2 ) 5.33 3.53 0.53 assign (resid 51 and name HG1 ) (resid 53 and name HZ2 ) 5.50 3.70 0.55 assign (resid 53 and name HH2 ) (resid 67 and name HD* ) 3.60 1.80 0.36 assign (resid 53 and name HH2 ) (resid 67 and name HB2 ) 4.12 2.32 0.41 assign (resid 53 and name HH2 ) (resid 67 and name HB1 ) 4.06 2.26 0.41 assign (resid 43 and name HB ) (resid 53 and name HH2 ) 4.41 2.61 0.44 assign (resid 51 and name HD* ) (resid 53 and name HH2 ) 4.67 2.87 0.47 assign (resid 26 and name HG2* ) (resid 53 and name HH2 ) 4.48 2.68 0.45 assign (resid 43 and name HG2* ) (resid 53 and name HH2 ) 3.58 1.78 0.36 assign (resid 51 and name HG2 ) (resid 53 and name HH2 ) 4.16 2.36 0.42 assign (resid 43 and name HG1* ) (resid 53 and name HH2 ) 4.63 2.83 0.46 assign (resid 69 and name HD1 ) (resid 70 and name HN ) 3.60 1.80 0.36 assign (resid 69 and name HA ) (resid 69 and name HD1 ) 3.68 1.88 0.37 assign (resid 69 and name HD1 ) (resid 71 and name HA ) 5.06 3.26 0.51 assign (resid 53 and name HA ) (resid 53 and name HD1 ) 3.83 2.03 0.38 assign (resid 53 and name HB1 ) (resid 53 and name HD1 ) 3.32 1.52 0.33 assign (resid 53 and name HB2 ) (resid 53 and name HD1 ) 3.88 2.08 0.39 assign (resid 53 and name HD1 ) (resid 55 and name HG1* ) 4.45 2.65 0.44 assign (resid 53 and name HD1 ) (resid 65 and name HD2* ) 3.61 1.81 0.36 assign (resid 53 and name HD1 ) (resid 65 and name HD1* ) 3.93 2.13 0.39 assign (resid 24 and name HB2 ) (resid 67 and name HZ ) 4.12 2.32 0.41 assign (resid 43 and name HG2* ) (resid 67 and name HZ ) 4.43 2.63 0.44 assign (resid 24 and name HB2 ) (resid 67 and name HE* ) 3.86 2.06 0.39 assign (resid 43 and name HG2* ) (resid 67 and name HE* ) 3.93 2.13 0.39 assign (resid 10 and name HG2* ) (resid 67 and name HE* ) 4.40 2.60 0.44 assign (resid 43 and name HG1* ) (resid 67 and name HE* ) 4.24 2.44 0.42 assign (resid 67 and name HE* ) (resid 79 and name HD1* ) 4.44 2.64 0.44 assign (resid 24 and name HB1 ) (resid 67 and name HE* ) 4.53 2.73 0.45 assign (resid 45 and name HD1* ) (resid 67 and name HE* ) 4.46 2.66 0.45 assign (resid 24 and name HE* ) (resid 101 and name HD* ) 4.28 2.48 0.43 assign (resid 11 and name HA ) (resid 101 and name HE* ) 4.30 2.50 0.43 assign (resid 101 and name HA ) (resid 101 and name HD* ) 4.13 2.33 0.41 assign (resid 79 and name HB ) (resid 101 and name HD* ) 4.28 2.48 0.43 assign (resid 10 and name HB ) (resid 101 and name HD* ) 4.14 2.34 0.41 assign (resid 101 and name HD* ) (resid 103 and name HG2* ) 3.43 1.63 0.34 assign (resid 10 and name HG2* ) (resid 101 and name HD* ) 4.25 2.45 0.43 assign (resid 79 and name HD1* ) (resid 101 and name HD* ) 4.16 2.36 0.42 assign (resid 3 and name HA ) (resid 3 and name HD* ) 4.26 2.46 0.43 assign (resid 3 and name HD* ) (resid 90 and name HG1* ) 3.78 1.98 0.38 assign (resid 24 and name HH ) (resid 101 and name HE* ) 5.08 3.28 0.51 assign (resid 67 and name HD* ) (resid 67 and name HZ ) 3.92 2.12 0.39 assign (resid 3 and name HZ ) (resid 90 and name HG1* ) 4.82 3.02 0.48 assign (resid 53 and name HZ2 ) (resid 67 and name HD* ) 4.07 2.27 0.41 assign (resid 50 and name HE* ) (resid 67 and name HA ) 5.37 3.57 0.54 assign (resid 10 and name HD1* ) (resid 101 and name HD* ) 4.36 2.56 0.44 assign (resid 45 and name HG12 ) (resid 50 and name HD* ) 5.07 3.27 0.51 assign (resid 44 and name HD* ) (resid 49 and name HG ) 4.79 2.99 0.48 assign (resid 50 and name HD* ) (resid 51 and name HA ) 4.87 3.07 0.49 assign (resid 1 and name HB1 ) (resid 3 and name HE* ) 4.98 3.18 0.50 assign (resid 44 and name HE* ) (resid 82 and name HG1 ) 3.28 1.48 0.33 assign (resid 1 and name HA ) (resid 1 and name HG* ) 3.64 1.84 0.36 assign (resid 1 and name HB* ) (resid 3 and name HZ ) 4.01 2.21 0.40 assign (resid 1 and name HG* ) (resid 3 and name HE* ) 4.35 2.55 0.44 assign (resid 1 and name HG* ) (resid 3 and name HZ ) 4.61 2.81 0.46 assign (resid 2 and name HB* ) (resid 3 and name HN ) 3.48 1.68 0.35 assign (resid 2 and name HB* ) (resid 34 and name HB ) 3.99 2.19 0.40 assign (resid 2 and name HB* ) (resid 34 and name HG2* ) 3.66 1.86 0.37 assign (resid 2 and name HB* ) (resid 34 and name HG12 ) 5.34 3.54 0.53 assign (resid 2 and name HB* ) (resid 34 and name HG11 ) 5.34 3.54 0.53 assign (resid 2 and name HB* ) (resid 34 and name HD1* ) 3.52 1.72 0.35 assign (resid 3 and name HB1 ) (resid 89 and name HG* ) 4.66 2.86 0.47 assign (resid 4 and name HA ) (resid 32 and name HA* ) 3.62 1.82 0.36 assign (resid 4 and name HB* ) (resid 5 and name HN ) 3.25 1.45 0.33 assign (resid 4 and name HB* ) (resid 6 and name HN ) 4.01 2.21 0.40 assign (resid 4 and name HB* ) (resid 6 and name HD1* ) 4.39 2.59 0.44 assign (resid 4 and name HB* ) (resid 6 and name HD2* ) 4.13 2.33 0.41 assign (resid 4 and name HB* ) (resid 30 and name HD2* ) 4.04 2.24 0.40 assign (resid 4 and name HB* ) (resid 34 and name HG2* ) 3.35 1.55 0.34 assign (resid 4 and name HB* ) (resid 34 and name HD1* ) 5.19 3.39 0.52 assign (resid 4 and name HG2 ) (resid 89 and name HG* ) 2.85 1.05 0.28 assign (resid 4 and name HG1 ) (resid 89 and name HG* ) 3.04 1.24 0.30 assign (resid 4 and name HD2 ) (resid 89 and name HG* ) 4.55 2.75 0.46 assign (resid 5 and name HN ) (resid 32 and name HA* ) 3.77 1.97 0.38 assign (resid 5 and name HA ) (resid 91 and name HG* ) 4.23 2.43 0.42 assign (resid 6 and name HN ) (resid 91 and name HB* ) 4.25 2.45 0.43 assign (resid 6 and name HN ) (resid 91 and name HG* ) 3.77 1.97 0.38 assign (resid 6 and name HD1* ) (resid 97 and name HD2* ) 4.30 2.50 0.43 assign (resid 7 and name HA ) (resid 97 and name HD2* ) 5.34 3.54 0.53 assign (resid 7 and name HG2* ) (resid 29 and name HE* ) 5.34 3.54 0.53 assign (resid 7 and name HG2* ) (resid 96 and name HB* ) 5.34 3.54 0.53 assign (resid 9 and name HN ) (resid 27 and name HB* ) 3.92 2.12 0.39 assign (resid 9 and name HB2 ) (resid 27 and name HB* ) 3.77 1.97 0.38 assign (resid 9 and name HB1 ) (resid 27 and name HB* ) 3.80 2.00 0.38 assign (resid 11 and name HN ) (resid 11 and name HG* ) 4.26 2.46 0.43 assign (resid 11 and name HA ) (resid 11 and name HG* ) 3.50 1.70 0.35 assign (resid 11 and name HA ) (resid 11 and name HD* ) 3.95 2.15 0.40 assign (resid 11 and name HB1 ) (resid 11 and name HD* ) 3.23 1.43 0.32 assign (resid 11 and name HG* ) (resid 11 and name HE* ) 3.24 1.44 0.32 assign (resid 11 and name HG* ) (resid 25 and name HB2 ) 4.81 3.01 0.48 assign (resid 11 and name HD* ) (resid 12 and name HN ) 5.06 3.26 0.51 assign (resid 13 and name HA ) (resid 14 and name HB* ) 4.76 2.96 0.48 assign (resid 13 and name HB* ) (resid 15 and name HN ) 3.81 2.01 0.38 assign (resid 13 and name HB* ) (resid 16 and name HG1* ) 3.48 1.68 0.35 assign (resid 13 and name HB* ) (resid 22 and name HB* ) 4.57 2.77 0.46 assign (resid 14 and name HB* ) (resid 15 and name HN ) 3.97 2.17 0.40 assign (resid 14 and name HB* ) (resid 15 and name HG2* ) 3.75 1.95 0.38 assign (resid 14 and name HB* ) (resid 101 and name HE* ) 4.32 2.52 0.43 assign (resid 14 and name HB* ) (resid 101 and name HZ ) 3.99 2.19 0.40 assign (resid 14 and name HB* ) (resid 103 and name HA ) 4.39 2.59 0.44 assign (resid 14 and name HB* ) (resid 104 and name HN ) 5.21 3.41 0.52 assign (resid 15 and name HA ) (resid 104 and name HB* ) 3.68 1.88 0.37 assign (resid 15 and name HG1* ) (resid 104 and name HB* ) 3.46 1.66 0.35 assign (resid 15 and name HG2* ) (resid 104 and name HB* ) 2.98 1.18 0.30 assign (resid 16 and name HN ) (resid 104 and name HB* ) 4.65 2.85 0.47 assign (resid 17 and name HA2 ) (resid 108 and name HG* ) 4.66 2.86 0.47 assign (resid 18 and name HB ) (resid 74 and name HG* ) 4.72 2.92 0.47 assign (resid 18 and name HG1* ) (resid 74 and name HG* ) 4.84 3.04 0.48 assign (resid 18 and name HG2* ) (resid 73 and name HG* ) 5.06 3.26 0.51 assign (resid 18 and name HG2* ) (resid 74 and name HG* ) 4.01 2.21 0.40 assign (resid 21 and name HA ) (resid 68 and name HB* ) 4.94 3.14 0.49 assign (resid 21 and name HG ) (resid 68 and name HB* ) 3.67 1.87 0.37 assign (resid 21 and name HD1* ) (resid 68 and name HB* ) 3.00 1.20 0.30 assign (resid 21 and name HD1* ) (resid 69 and name HB* ) 5.34 3.54 0.53 assign (resid 21 and name HD2* ) (resid 68 and name HB* ) 3.55 1.75 0.35 assign (resid 22 and name HN ) (resid 68 and name HB* ) 4.46 2.66 0.45 assign (resid 22 and name HB* ) (resid 69 and name HB* ) 4.81 3.01 0.48 assign (resid 23 and name HA ) (resid 68 and name HB* ) 4.36 2.56 0.44 assign (resid 23 and name HG2 ) (resid 68 and name HB* ) 4.08 2.28 0.41 assign (resid 23 and name HG1 ) (resid 68 and name HB* ) 4.27 2.47 0.43 assign (resid 24 and name HN ) (resid 68 and name HB* ) 5.33 3.53 0.53 assign (resid 24 and name HD* ) (resid 69 and name HB* ) 4.67 2.87 0.47 assign (resid 25 and name HN ) (resid 25 and name HG* ) 3.62 1.82 0.36 assign (resid 25 and name HB2 ) (resid 25 and name HG* ) 2.52 0.72 0.25 assign (resid 25 and name HG* ) (resid 64 and name HG1* ) 3.94 2.14 0.39 assign (resid 25 and name HG* ) (resid 66 and name HA ) 5.34 3.54 0.53 assign (resid 25 and name HG* ) (resid 66 and name HG2* ) 3.72 1.92 0.37 assign (resid 27 and name HN ) (resid 27 and name HB* ) 3.49 1.69 0.35 assign (resid 27 and name HB* ) (resid 28 and name HN ) 3.94 2.14 0.39 assign (resid 27 and name HB* ) (resid 28 and name HG1* ) 4.78 2.98 0.48 assign (resid 29 and name HB2 ) (resid 29 and name HE* ) 4.40 2.60 0.44 assign (resid 29 and name HE* ) (resid 31 and name HD1* ) 3.99 2.19 0.40 assign (resid 29 and name HE* ) (resid 31 and name HD2* ) 3.36 1.56 0.34 assign (resid 29 and name HE* ) (resid 62 and name HG1 ) 4.30 2.50 0.43 assign (resid 30 and name HN ) (resid 30 and name HD2* ) 4.60 2.80 0.46 assign (resid 30 and name HA ) (resid 30 and name HD2* ) 4.72 2.92 0.47 assign (resid 30 and name HB2 ) (resid 30 and name HD2* ) 3.56 1.76 0.36 assign (resid 30 and name HB1 ) (resid 30 and name HD2* ) 3.54 1.74 0.35 assign (resid 30 and name HD2* ) (resid 34 and name HN ) 4.35 2.55 0.44 assign (resid 30 and name HD2* ) (resid 35 and name HN ) 4.98 3.18 0.50 assign (resid 30 and name HD2* ) (resid 35 and name HA1 ) 4.21 2.41 0.42 assign (resid 30 and name HD2* ) (resid 57 and name HB2 ) 4.51 2.71 0.45 assign (resid 30 and name HD2* ) (resid 57 and name HB1 ) 4.57 2.77 0.46 assign (resid 30 and name HD2* ) (resid 59 and name HA ) 3.87 2.07 0.39 assign (resid 30 and name HD2* ) (resid 60 and name HN ) 4.52 2.72 0.45 assign (resid 30 and name HD2* ) (resid 61 and name HN ) 4.51 2.71 0.45 assign (resid 31 and name HN ) (resid 32 and name HA* ) 4.68 2.88 0.47 assign (resid 31 and name HD1* ) (resid 96 and name HB* ) 5.34 3.54 0.53 assign (resid 31 and name HD1* ) (resid 96 and name HD2* ) 3.73 1.93 0.37 assign (resid 31 and name HD2* ) (resid 60 and name HG* ) 5.25 3.45 0.53 assign (resid 32 and name HA* ) (resid 33 and name HN ) 3.09 1.29 0.31 assign (resid 32 and name HA* ) (resid 34 and name HN ) 4.04 2.24 0.40 assign (resid 32 and name HA* ) (resid 34 and name HG2* ) 4.79 2.99 0.48 assign (resid 32 and name HA* ) (resid 92 and name HD1* ) 4.34 2.54 0.43 assign (resid 33 and name HA* ) (resid 34 and name HA ) 4.88 3.08 0.49 assign (resid 33 and name HA* ) (resid 34 and name HB ) 5.33 3.53 0.53 assign (resid 33 and name HA* ) (resid 59 and name HA ) 4.54 2.74 0.45 assign (resid 33 and name HA* ) (resid 59 and name HB2 ) 3.83 2.03 0.38 assign (resid 33 and name HA* ) (resid 59 and name HB1 ) 3.85 2.05 0.38 assign (resid 33 and name HA* ) (resid 60 and name HE* ) 3.98 2.18 0.40 assign (resid 34 and name HN ) (resid 60 and name HG* ) 4.59 2.79 0.46 assign (resid 35 and name HN ) (resid 58 and name HA* ) 4.41 2.61 0.44 assign (resid 35 and name HA2 ) (resid 58 and name HA* ) 4.05 2.25 0.41 assign (resid 35 and name HA1 ) (resid 58 and name HA* ) 4.21 2.41 0.42 assign (resid 36 and name HN ) (resid 58 and name HA* ) 4.74 2.94 0.47 assign (resid 36 and name HB ) (resid 37 and name HD* ) 5.24 3.44 0.52 assign (resid 36 and name HG1* ) (resid 37 and name HD* ) 3.38 1.58 0.34 assign (resid 37 and name HB2 ) (resid 38 and name HB* ) 4.88 3.08 0.49 assign (resid 37 and name HD* ) (resid 38 and name HN ) 3.34 1.54 0.33 assign (resid 38 and name HN ) (resid 38 and name HB* ) 3.40 1.60 0.34 assign (resid 38 and name HB* ) (resid 39 and name HN ) 3.98 2.18 0.40 assign (resid 40 and name HN ) (resid 40 and name HD* ) 4.16 2.36 0.42 assign (resid 40 and name HA ) (resid 40 and name HD* ) 4.66 2.86 0.47 assign (resid 40 and name HB2 ) (resid 40 and name HD* ) 2.39 0.59 0.24 assign (resid 40 and name HB1 ) (resid 40 and name HD* ) 3.38 1.58 0.34 assign (resid 40 and name HG1 ) (resid 40 and name HD* ) 2.53 0.73 0.25 assign (resid 40 and name HD* ) (resid 52 and name HB* ) 5.34 3.54 0.53 assign (resid 40 and name HD* ) (resid 54 and name HA ) 4.62 2.82 0.46 assign (resid 40 and name HD* ) (resid 84 and name HA ) 4.91 3.11 0.49 assign (resid 42 and name HN ) (resid 42 and name HB* ) 3.37 1.57 0.34 assign (resid 42 and name HB* ) (resid 43 and name HN ) 3.87 2.07 0.39 assign (resid 42 and name HB* ) (resid 43 and name HA ) 4.72 2.92 0.47 assign (resid 42 and name HB* ) (resid 44 and name HE* ) 3.84 2.04 0.38 assign (resid 42 and name HB* ) (resid 49 and name HD1* ) 3.73 1.93 0.37 assign (resid 42 and name HB* ) (resid 52 and name HB* ) 4.61 2.81 0.46 assign (resid 42 and name HB* ) (resid 82 and name HN ) 4.64 2.84 0.46 assign (resid 42 and name HG* ) (resid 49 and name HD1* ) 4.21 2.41 0.42 assign (resid 42 and name HG* ) (resid 52 and name HB* ) 3.60 1.80 0.36 assign (resid 42 and name HD* ) (resid 44 and name HE* ) 4.39 2.59 0.44 assign (resid 42 and name HD* ) (resid 49 and name HD1* ) 3.68 1.88 0.37 assign (resid 42 and name HD* ) (resid 49 and name HD2* ) 4.74 2.94 0.47 assign (resid 43 and name HB ) (resid 50 and name HB* ) 4.72 2.92 0.47 assign (resid 44 and name HA ) (resid 50 and name HB* ) 4.50 2.70 0.45 assign (resid 44 and name HD* ) (resid 49 and name HB* ) 4.11 2.31 0.41 assign (resid 44 and name HE* ) (resid 49 and name HB* ) 4.06 2.26 0.41 assign (resid 45 and name HB ) (resid 50 and name HB* ) 4.67 2.87 0.47 assign (resid 45 and name HG2* ) (resid 46 and name HB* ) 4.39 2.59 0.44 assign (resid 45 and name HG2* ) (resid 46 and name HD2* ) 4.23 2.43 0.42 assign (resid 45 and name HG11 ) (resid 50 and name HB* ) 4.30 2.50 0.43 assign (resid 45 and name HD1* ) (resid 50 and name HB* ) 3.95 2.15 0.40 assign (resid 46 and name HA ) (resid 46 and name HD2* ) 4.60 2.80 0.46 assign (resid 46 and name HA ) (resid 78 and name HB* ) 4.58 2.78 0.46 assign (resid 46 and name HB* ) (resid 46 and name HD2* ) 2.91 1.11 0.29 assign (resid 46 and name HB* ) (resid 77 and name HD* ) 4.43 2.63 0.44 assign (resid 46 and name HD2* ) (resid 77 and name HA ) 3.57 1.77 0.36 assign (resid 46 and name HD2* ) (resid 77 and name HD* ) 3.64 1.84 0.36 assign (resid 46 and name HD2* ) (resid 77 and name HE* ) 4.27 2.47 0.43 assign (resid 46 and name HD2* ) (resid 78 and name HN ) 4.37 2.57 0.44 assign (resid 49 and name HA ) (resid 50 and name HB* ) 4.50 2.70 0.45 assign (resid 49 and name HB* ) (resid 49 and name HD1* ) 3.13 1.33 0.31 assign (resid 49 and name HD1* ) (resid 50 and name HB* ) 5.34 3.54 0.53 assign (resid 49 and name HD1* ) (resid 52 and name HD2* ) 4.54 2.74 0.45 assign (resid 49 and name HD2* ) (resid 52 and name HD2* ) 3.70 1.90 0.37 assign (resid 50 and name HB* ) (resid 51 and name HN ) 3.42 1.62 0.34 assign (resid 50 and name HE* ) (resid 51 and name HE* ) 4.74 2.94 0.47 assign (resid 50 and name HE* ) (resid 69 and name HB* ) 3.80 2.00 0.38 assign (resid 51 and name HA ) (resid 52 and name HD2* ) 4.48 2.68 0.45 assign (resid 51 and name HB1 ) (resid 51 and name HE* ) 4.60 2.80 0.46 assign (resid 51 and name HG2 ) (resid 51 and name HE* ) 3.60 1.80 0.36 assign (resid 51 and name HG1 ) (resid 51 and name HE* ) 3.49 1.69 0.35 assign (resid 51 and name HE* ) (resid 53 and name HE1 ) 4.40 2.60 0.44 assign (resid 51 and name HE* ) (resid 53 and name HZ2 ) 3.99 2.19 0.40 assign (resid 52 and name HN ) (resid 52 and name HD2* ) 3.84 2.04 0.38 assign (resid 55 and name HB ) (resid 63 and name HD* ) 5.34 3.54 0.53 assign (resid 55 and name HB ) (resid 63 and name HE* ) 4.43 2.63 0.44 assign (resid 55 and name HG1* ) (resid 63 and name HD* ) 4.90 3.10 0.49 assign (resid 55 and name HG1* ) (resid 63 and name HE* ) 4.38 2.58 0.44 assign (resid 55 and name HG2* ) (resid 63 and name HD* ) 4.64 2.84 0.46 assign (resid 55 and name HG2* ) (resid 63 and name HE* ) 4.66 2.86 0.47 assign (resid 56 and name HN ) (resid 63 and name HE* ) 5.02 3.22 0.50 assign (resid 57 and name HA ) (resid 58 and name HA* ) 4.50 2.70 0.45 assign (resid 57 and name HB1 ) (resid 61 and name HG* ) 5.34 3.54 0.53 assign (resid 57 and name HD2* ) (resid 58 and name HA* ) 5.34 3.54 0.53 assign (resid 57 and name HD2* ) (resid 61 and name HG* ) 3.36 1.56 0.34 assign (resid 57 and name HD2* ) (resid 63 and name HD* ) 3.74 1.94 0.37 assign (resid 57 and name HD2* ) (resid 63 and name HE* ) 4.10 2.30 0.41 assign (resid 58 and name HN ) (resid 61 and name HG* ) 4.09 2.29 0.41 assign (resid 58 and name HA* ) (resid 59 and name HG1 ) 4.34 2.54 0.43 assign (resid 58 and name HA* ) (resid 61 and name HB2 ) 4.01 2.21 0.40 assign (resid 60 and name HN ) (resid 60 and name HB* ) 3.62 1.82 0.36 assign (resid 60 and name HN ) (resid 60 and name HG* ) 3.71 1.91 0.37 assign (resid 60 and name HA ) (resid 60 and name HG* ) 3.42 1.62 0.34 assign (resid 60 and name HB* ) (resid 60 and name HE* ) 4.15 2.35 0.42 assign (resid 60 and name HG* ) (resid 61 and name HN ) 4.73 2.93 0.47 assign (resid 61 and name HN ) (resid 61 and name HG* ) 4.21 2.41 0.42 assign (resid 61 and name HG* ) (resid 62 and name HN ) 3.28 1.48 0.33 assign (resid 61 and name HG* ) (resid 63 and name HG* ) 3.90 2.10 0.39 assign (resid 63 and name HA ) (resid 63 and name HD* ) 3.66 1.86 0.37 assign (resid 63 and name HA ) (resid 63 and name HE* ) 3.91 2.11 0.39 assign (resid 63 and name HB2 ) (resid 63 and name HD* ) 3.50 1.70 0.35 assign (resid 63 and name HB1 ) (resid 63 and name HD* ) 2.76 0.96 0.28 assign (resid 63 and name HB1 ) (resid 63 and name HE* ) 3.53 1.73 0.35 assign (resid 63 and name HG* ) (resid 63 and name HE* ) 2.99 1.19 0.30 assign (resid 63 and name HD* ) (resid 65 and name HD2* ) 5.19 3.39 0.52 assign (resid 63 and name HE* ) (resid 64 and name HN ) 5.34 3.54 0.53 assign (resid 63 and name HE* ) (resid 65 and name HD2* ) 4.37 2.57 0.44 assign (resid 67 and name HA ) (resid 68 and name HB* ) 4.44 2.64 0.44 assign (resid 67 and name HD* ) (resid 69 and name HB* ) 4.72 2.92 0.47 assign (resid 68 and name HN ) (resid 68 and name HB* ) 3.47 1.67 0.35 assign (resid 68 and name HB* ) (resid 69 and name HN ) 3.70 1.90 0.37 assign (resid 69 and name HH2 ) (resid 77 and name HB* ) 3.62 1.82 0.36 assign (resid 73 and name HN ) (resid 73 and name HG* ) 4.13 2.33 0.41 assign (resid 73 and name HA ) (resid 74 and name HG* ) 5.33 3.53 0.53 assign (resid 73 and name HB* ) (resid 77 and name HE* ) 5.10 3.30 0.51 assign (resid 73 and name HG* ) (resid 73 and name HE* ) 3.23 1.43 0.32 assign (resid 73 and name HG* ) (resid 74 and name HN ) 3.72 1.92 0.37 assign (resid 73 and name HG* ) (resid 77 and name HE* ) 5.34 3.54 0.53 assign (resid 74 and name HN ) (resid 74 and name HG* ) 3.35 1.55 0.34 assign (resid 74 and name HA ) (resid 74 and name HG* ) 3.55 1.75 0.35 assign (resid 74 and name HB2 ) (resid 75 and name HA* ) 5.04 3.24 0.50 assign (resid 74 and name HB1 ) (resid 74 and name HG* ) 2.57 0.77 0.26 assign (resid 74 and name HG* ) (resid 75 and name HN ) 4.40 2.60 0.44 assign (resid 74 and name HG* ) (resid 105 and name HG1* ) 4.84 3.04 0.48 assign (resid 74 and name HG* ) (resid 106 and name HA ) 4.88 3.08 0.49 assign (resid 74 and name HG* ) (resid 107 and name HN ) 4.26 2.46 0.43 assign (resid 74 and name HG* ) (resid 107 and name HA ) 4.79 2.99 0.48 assign (resid 74 and name HG* ) (resid 107 and name HG ) 3.88 2.08 0.39 assign (resid 74 and name HG* ) (resid 107 and name HD1* ) 3.52 1.72 0.35 assign (resid 75 and name HA* ) (resid 76 and name HA ) 4.64 2.84 0.46 assign (resid 75 and name HA* ) (resid 76 and name HB* ) 4.14 2.34 0.41 assign (resid 75 and name HA* ) (resid 77 and name HE* ) 4.00 2.20 0.40 assign (resid 75 and name HA* ) (resid 105 and name HB ) 4.22 2.42 0.42 assign (resid 76 and name HN ) (resid 76 and name HB* ) 3.01 1.21 0.30 assign (resid 76 and name HN ) (resid 76 and name HG* ) 4.14 2.34 0.41 assign (resid 76 and name HA ) (resid 104 and name HB* ) 5.24 3.44 0.52 assign (resid 76 and name HG* ) (resid 76 and name HE* ) 3.27 1.47 0.33 assign (resid 76 and name HG* ) (resid 77 and name HN ) 4.65 2.85 0.47 assign (resid 76 and name HG* ) (resid 104 and name HA ) 5.34 3.54 0.53 assign (resid 76 and name HE* ) (resid 104 and name HB* ) 3.74 1.94 0.37 assign (resid 77 and name HN ) (resid 77 and name HB* ) 3.61 1.81 0.36 assign (resid 77 and name HB* ) (resid 78 and name HN ) 3.70 1.90 0.37 assign (resid 77 and name HB* ) (resid 103 and name HN ) 4.60 2.80 0.46 assign (resid 77 and name HB* ) (resid 103 and name HB ) 3.93 2.13 0.39 assign (resid 77 and name HB* ) (resid 103 and name HG1* ) 4.05 2.25 0.41 assign (resid 77 and name HB* ) (resid 103 and name HG2* ) 4.83 3.03 0.48 assign (resid 77 and name HB* ) (resid 105 and name HG2* ) 4.21 2.41 0.42 assign (resid 78 and name HN ) (resid 78 and name HB* ) 3.30 1.50 0.33 assign (resid 78 and name HN ) (resid 78 and name HG* ) 3.94 2.14 0.39 assign (resid 78 and name HA ) (resid 78 and name HG* ) 3.38 1.58 0.34 assign (resid 78 and name HA ) (resid 78 and name HD* ) 4.66 2.86 0.47 assign (resid 78 and name HB* ) (resid 78 and name HD* ) 3.33 1.53 0.33 assign (resid 78 and name HB* ) (resid 78 and name HE ) 3.77 1.97 0.38 assign (resid 78 and name HB* ) (resid 79 and name HN ) 4.41 2.61 0.44 assign (resid 78 and name HB* ) (resid 100 and name HG2* ) 4.29 2.49 0.43 assign (resid 78 and name HB* ) (resid 103 and name HG2* ) 5.34 3.54 0.53 assign (resid 78 and name HG* ) (resid 78 and name HE ) 3.65 1.85 0.37 assign (resid 78 and name HG* ) (resid 79 and name HN ) 4.55 2.75 0.46 assign (resid 78 and name HG* ) (resid 80 and name HD22 ) 4.74 2.94 0.47 assign (resid 78 and name HG* ) (resid 100 and name HA ) 4.47 2.67 0.45 assign (resid 78 and name HG* ) (resid 100 and name HG2* ) 4.09 2.29 0.41 assign (resid 78 and name HG* ) (resid 101 and name HN ) 4.29 2.49 0.43 assign (resid 78 and name HD* ) (resid 80 and name HD22 ) 4.03 2.23 0.40 assign (resid 78 and name HD* ) (resid 100 and name HA ) 4.60 2.80 0.46 assign (resid 78 and name HD* ) (resid 100 and name HG2* ) 3.32 1.52 0.33 assign (resid 83 and name HN ) (resid 97 and name HB* ) 4.01 2.21 0.40 assign (resid 83 and name HN ) (resid 97 and name HD2* ) 5.33 3.53 0.53 assign (resid 83 and name HG1* ) (resid 91 and name HG* ) 5.25 3.45 0.53 assign (resid 83 and name HG1* ) (resid 97 and name HB* ) 3.68 1.88 0.37 assign (resid 84 and name HA ) (resid 89 and name HG* ) 5.14 3.34 0.51 assign (resid 84 and name HB2 ) (resid 89 and name HG* ) 4.15 2.35 0.42 assign (resid 84 and name HB2 ) (resid 97 and name HD2* ) 4.23 2.43 0.42 assign (resid 84 and name HB1 ) (resid 89 and name HG* ) 4.60 2.80 0.46 assign (resid 86 and name HN ) (resid 86 and name HB* ) 3.30 1.50 0.33 assign (resid 86 and name HN ) (resid 86 and name HG* ) 3.21 1.41 0.32 assign (resid 86 and name HA ) (resid 86 and name HG* ) 3.36 1.56 0.34 assign (resid 86 and name HB* ) (resid 87 and name HN ) 4.38 2.58 0.44 assign (resid 86 and name HB* ) (resid 88 and name HG2* ) 3.16 1.36 0.32 assign (resid 86 and name HG* ) (resid 88 and name HG2* ) 3.63 1.83 0.36 assign (resid 87 and name HN ) (resid 87 and name HB* ) 3.54 1.74 0.35 assign (resid 87 and name HB* ) (resid 87 and name HD2* ) 3.04 1.24 0.30 assign (resid 87 and name HB* ) (resid 88 and name HN ) 4.15 2.35 0.42 assign (resid 87 and name HB* ) (resid 89 and name HN ) 5.34 3.54 0.53 assign (resid 88 and name HN ) (resid 89 and name HG* ) 4.13 2.33 0.41 assign (resid 89 and name HN ) (resid 89 and name HG* ) 3.21 1.41 0.32 assign (resid 89 and name HN ) (resid 91 and name HG* ) 5.34 3.54 0.53 assign (resid 89 and name HA ) (resid 89 and name HG* ) 2.96 1.16 0.30 assign (resid 89 and name HG* ) (resid 90 and name HN ) 3.32 1.52 0.33 assign (resid 89 and name HG* ) (resid 91 and name HA ) 4.34 2.54 0.43 assign (resid 89 and name HG* ) (resid 91 and name HG* ) 3.70 1.90 0.37 assign (resid 90 and name HA ) (resid 91 and name HB* ) 4.73 2.93 0.47 assign (resid 90 and name HG1* ) (resid 91 and name HG* ) 5.25 3.45 0.53 assign (resid 90 and name HG2* ) (resid 91 and name HG* ) 5.34 3.54 0.53 assign (resid 91 and name HN ) (resid 91 and name HB* ) 3.30 1.50 0.33 assign (resid 91 and name HN ) (resid 91 and name HG* ) 3.51 1.71 0.35 assign (resid 91 and name HA ) (resid 91 and name HG* ) 3.69 1.89 0.37 assign (resid 91 and name HB* ) (resid 92 and name HN ) 3.64 1.84 0.36 assign (resid 91 and name HB* ) (resid 93 and name HN ) 3.18 1.38 0.32 assign (resid 91 and name HG* ) (resid 92 and name HN ) 5.34 3.54 0.53 assign (resid 91 and name HG* ) (resid 93 and name HN ) 5.18 3.38 0.52 assign (resid 92 and name HB* ) (resid 93 and name HB* ) 3.92 2.12 0.39 assign (resid 93 and name HN ) (resid 93 and name HB* ) 3.25 1.45 0.33 assign (resid 93 and name HB* ) (resid 96 and name HD2* ) 3.83 2.03 0.38 assign (resid 93 and name HD21 ) (resid 96 and name HB* ) 4.49 2.69 0.45 assign (resid 93 and name HD22 ) (resid 96 and name HB* ) 4.05 2.25 0.41 assign (resid 93 and name HD22 ) (resid 96 and name HD2* ) 4.99 3.19 0.50 assign (resid 94 and name HA ) (resid 97 and name HD2* ) 5.34 3.54 0.53 assign (resid 94 and name HB* ) (resid 94 and name HG* ) 2.18 0.38 0.22 assign (resid 94 and name HG* ) (resid 95 and name HN ) 5.32 3.52 0.53 assign (resid 95 and name HN ) (resid 95 and name HB* ) 3.29 1.49 0.33 assign (resid 95 and name HN ) (resid 95 and name HD2* ) 4.50 2.70 0.45 assign (resid 95 and name HA ) (resid 95 and name HD2* ) 4.42 2.62 0.44 assign (resid 95 and name HB* ) (resid 95 and name HD2* ) 2.98 1.18 0.30 assign (resid 95 and name HB* ) (resid 96 and name HN ) 3.83 2.03 0.38 assign (resid 96 and name HB* ) (resid 96 and name HD2* ) 3.17 1.37 0.32 assign (resid 97 and name HN ) (resid 97 and name HB* ) 3.17 1.37 0.32 assign (resid 97 and name HN ) (resid 97 and name HD2* ) 5.07 3.27 0.51 assign (resid 97 and name HA ) (resid 97 and name HD2* ) 4.60 2.80 0.46 assign (resid 97 and name HB* ) (resid 97 and name HD2* ) 3.15 1.35 0.32 assign (resid 97 and name HB* ) (resid 98 and name HN ) 3.89 2.09 0.39 assign (resid 97 and name HB* ) (resid 98 and name HG2* ) 3.68 1.88 0.37 assign (resid 101 and name HA ) (resid 102 and name HB* ) 4.68 2.88 0.47 assign (resid 102 and name HN ) (resid 102 and name HB* ) 3.16 1.36 0.32 assign (resid 102 and name HB* ) (resid 103 and name HN ) 3.62 1.82 0.36 assign (resid 102 and name HB* ) (resid 103 and name HG2* ) 5.34 3.54 0.53 assign (resid 103 and name HA ) (resid 104 and name HB* ) 4.26 2.46 0.43 assign (resid 103 and name HG1* ) (resid 104 and name HB* ) 4.53 2.73 0.45 assign (resid 104 and name HN ) (resid 104 and name HB* ) 3.04 1.24 0.30 assign (resid 104 and name HB* ) (resid 105 and name HN ) 3.96 2.16 0.40 assign (resid 104 and name HB* ) (resid 106 and name HG1* ) 4.23 2.43 0.42 assign (resid 104 and name HB* ) (resid 106 and name HG2* ) 4.97 3.17 0.50 assign (resid 106 and name HG2* ) (resid 108 and name HG* ) 4.22 2.42 0.42 assign (resid 107 and name HB* ) (resid 108 and name HG* ) 5.04 3.24 0.50 assign (resid 108 and name HN ) (resid 108 and name HG* ) 3.43 1.63 0.34 assign (resid 108 and name HA ) (resid 108 and name HG* ) 3.37 1.57 0.34 ! ! Dihedral angle constraints from TALOS+ (n=10; good). ! ! ACO file produced by PDBStat ! Version: 5.1-Exp Compiled 2008-08-11 on (europa) ! dihedral assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) 1.0 -111.61 23.38 2 assign (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) (resid 3 and name N ) 1.0 147.93 29.56 2 assign (resid 2 and name C ) (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) 1.0 -126.10 12.40 2 assign (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) (resid 4 and name N ) 1.0 119.98 35.98 2 assign (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) (resid 5 and name N ) 1.0 154.57 18.18 2 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -136.88 23.55 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 156.06 15.70 2 assign (resid 7 and name C ) (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) 1.0 -133.55 12.15 2 assign (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) (resid 9 and name N ) 1.0 157.18 8.00 2 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) 1.0 -130.51 14.62 2 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) (resid 10 and name N ) 1.0 132.24 13.94 2 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) 1.0 -111.81 21.31 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1.0 134.12 19.82 2 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) 1.0 -136.26 7.63 2 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 1.0 147.31 15.04 2 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) 1.0 -114.36 18.54 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 134.73 19.11 2 assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) 1.0 -128.98 6.58 2 assign (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) (resid 17 and name N ) 1.0 149.66 13.47 2 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 -113.46 66.59 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 157.95 22.11 2 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) 1.0 64.32 11.10 2 assign (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 1.0 25.77 16.58 2 assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) 1.0 -90.65 25.37 2 assign (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) (resid 22 and name N ) 1.0 129.15 11.54 2 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 -125.04 10.67 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 1.0 144.59 11.58 2 assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) 1.0 -118.42 17.76 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 1.0 134.32 16.80 2 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) 1.0 -132.67 9.22 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 158.76 7.42 2 assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) 1.0 -132.37 10.41 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) (resid 26 and name N ) 1.0 142.97 14.92 2 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) 1.0 -109.27 14.95 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 1.0 122.75 7.69 2 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) 1.0 -102.46 19.22 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 122.61 20.80 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 -115.35 8.76 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 1.0 129.94 6.09 2 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 -131.19 21.28 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 151.66 12.55 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -121.69 21.29 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 146.31 15.94 2 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) 1.0 67.15 20.22 2 assign (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 1.0 34.40 21.11 2 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) 1.0 -122.65 14.23 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 1.0 147.92 14.04 2 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -112.21 18.96 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 134.16 19.81 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) (resid 38 and name N ) 1.0 -20.49 8.26 2 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) 1.0 -96.96 14.97 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 1.0 -7.98 12.95 2 assign (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) 1.0 -112.49 16.37 2 assign (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) (resid 40 and name N ) 1.0 117.28 25.48 2 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) 1.0 -105.49 15.72 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 1.0 122.54 7.94 2 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 -117.88 13.01 2 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 1.0 129.12 9.96 2 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) 1.0 -128.37 12.70 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) (resid 43 and name N ) 1.0 152.32 14.29 2 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 -130.70 8.49 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 1.0 133.76 13.03 2 assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) 1.0 -124.97 12.57 2 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) (resid 45 and name N ) 1.0 150.57 12.87 2 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 -116.24 28.12 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 1.0 124.76 16.64 2 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) 1.0 54.23 5.65 2 assign (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) (resid 47 and name N ) 1.0 41.55 6.49 2 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) 1.0 -98.11 15.59 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 1.0 135.08 17.45 2 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 -72.09 9.49 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) (resid 50 and name N ) 1.0 125.29 9.80 2 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 -94.00 11.01 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 -37.98 4.61 2 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) 1.0 -157.61 12.10 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 1.0 159.01 8.35 2 assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) 1.0 -142.63 18.03 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 151.52 15.13 2 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) 1.0 -142.43 12.16 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 1.0 141.28 7.37 2 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) 1.0 -107.33 23.92 2 assign (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) (resid 55 and name N ) 1.0 135.32 14.76 2 assign (resid 54 and name C ) (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) 1.0 -138.97 8.09 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 166.93 5.54 2 assign (resid 55 and name C ) (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) 1.0 -120.22 14.02 2 assign (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) (resid 57 and name N ) 1.0 143.89 9.80 2 assign (resid 56 and name C ) (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) 1.0 -133.28 14.72 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 1.0 131.81 9.96 2 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -101.56 25.04 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 139.55 15.75 2 assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) 1.0 -119.64 14.92 2 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) (resid 63 and name N ) 1.0 140.05 13.58 2 assign (resid 62 and name C ) (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) 1.0 -131.19 13.95 2 assign (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) (resid 64 and name N ) 1.0 138.66 22.05 2 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) 1.0 -110.55 9.14 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 1.0 119.75 5.78 2 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 -98.10 15.56 2 assign (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) (resid 66 and name N ) 1.0 136.14 9.83 2 assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) 1.0 -126.00 11.85 2 assign (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) (resid 67 and name N ) 1.0 159.00 11.54 2 assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) 1.0 -151.93 7.30 2 assign (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) (resid 68 and name N ) 1.0 155.70 6.44 2 assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) 1.0 -125.89 14.84 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) (resid 69 and name N ) 1.0 135.89 20.17 2 assign (resid 68 and name C ) (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name C ) 1.0 -124.64 25.86 2 assign (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name C ) (resid 70 and name N ) 1.0 128.84 7.66 2 assign (resid 69 and name C ) (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) 1.0 -113.19 15.16 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) (resid 71 and name N ) 1.0 113.90 12.23 2 assign (resid 72 and name C ) (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) 1.0 -113.54 29.34 2 assign (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) (resid 74 and name N ) 1.0 136.16 9.72 2 assign (resid 73 and name C ) (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) 1.0 -88.22 29.34 2 assign (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) (resid 75 and name N ) 1.0 130.97 18.60 2 assign (resid 74 and name C ) (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) 1.0 174.91 59.71 2 assign (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) (resid 76 and name N ) 1.0 176.06 15.64 2 assign (resid 75 and name C ) (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) 1.0 -83.15 15.81 2 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) (resid 77 and name N ) 1.0 124.62 17.85 2 assign (resid 76 and name C ) (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) 1.0 -120.01 19.38 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) (resid 78 and name N ) 1.0 133.70 21.31 2 assign (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) 1.0 -108.00 15.06 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) (resid 79 and name N ) 1.0 118.25 6.82 2 assign (resid 78 and name C ) (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) 1.0 -105.96 9.94 2 assign (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) (resid 80 and name N ) 1.0 126.04 12.07 2 assign (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) 1.0 -121.00 17.87 2 assign (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) (resid 81 and name N ) 1.0 145.76 17.64 2 assign (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) 1.0 -127.01 14.39 2 assign (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) (resid 82 and name N ) 1.0 147.14 13.51 2 assign (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) 1.0 -130.70 6.87 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 1.0 152.54 11.14 2 assign (resid 82 and name C ) (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) 1.0 -125.50 23.71 2 assign (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) (resid 84 and name N ) 1.0 156.56 14.23 2 assign (resid 84 and name C ) (resid 85 and name N ) (resid 85 and name CA ) (resid 85 and name C ) 1.0 -58.04 6.25 2 assign (resid 85 and name N ) (resid 85 and name CA ) (resid 85 and name C ) (resid 86 and name N ) 1.0 -39.92 6.05 2 assign (resid 85 and name C ) (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) 1.0 -80.28 12.03 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) (resid 87 and name N ) 1.0 -7.37 17.81 2 assign (resid 88 and name C ) (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) 1.0 -118.29 23.92 2 assign (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) (resid 90 and name N ) 1.0 126.88 14.14 2 assign (resid 89 and name C ) (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) 1.0 -94.57 10.54 2 assign (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) (resid 91 and name N ) 1.0 123.53 13.08 2 assign (resid 90 and name C ) (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) 1.0 -117.29 24.60 2 assign (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) (resid 92 and name N ) 1.0 175.47 18.97 2 assign (resid 91 and name C ) (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) 1.0 -72.52 12.78 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) (resid 93 and name N ) 1.0 -27.15 10.98 2 assign (resid 93 and name C ) (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) 1.0 -106.98 22.06 2 assign (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) (resid 95 and name N ) 1.0 3.12 26.83 2 assign (resid 94 and name C ) (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) 1.0 -85.83 21.37 2 assign (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) (resid 96 and name N ) 1.0 -12.90 29.64 2 assign (resid 95 and name C ) (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) 1.0 -100.23 12.97 2 assign (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) (resid 97 and name N ) 1.0 7.06 29.57 2 assign (resid 97 and name C ) (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name C ) 1.0 -126.00 17.17 2 assign (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name C ) (resid 99 and name N ) 1.0 149.17 19.15 2 assign (resid 98 and name C ) (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) 1.0 -130.02 15.16 2 assign (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) (resid 100 and name N ) 1.0 129.13 13.34 2 assign (resid 99 and name C ) (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) 1.0 -116.73 11.51 2 assign (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) (resid 101 and name N ) 1.0 125.96 8.85 2 assign (resid 100 and name C ) (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name C ) 1.0 -117.19 25.33 2 assign (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name C ) (resid 102 and name N ) 1.0 129.28 11.17 2 assign (resid 101 and name C ) (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) 1.0 -112.29 18.58 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) (resid 103 and name N ) 1.0 127.66 9.26 2 assign (resid 102 and name C ) (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) 1.0 -120.80 7.93 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) (resid 104 and name N ) 1.0 137.74 8.71 2 assign (resid 103 and name C ) (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) 1.0 -101.71 16.00 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 1.0 129.53 15.40 2 assign (resid 104 and name C ) (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) 1.0 -101.31 11.54 2 assign (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) (resid 106 and name N ) 1.0 130.21 9.30 2 assign (resid 105 and name C ) (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) 1.0 -121.20 22.01 2 assign (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) (resid 107 and name N ) 1.0 156.14 11.19 2 end Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 435 H1 MET 435 -9.042 16.278 22.004 2 H2 MET 435 H2 MET 435 -10.492 16.086 21.155 3 H3 MET 435 H3 MET 435 -10.035 17.618 21.706 4 HA MET 435 HA MET 435 -9.652 17.448 19.347 5 HB2 MET 435 HB2 MET 435 -7.056 17.377 20.913 6 HB3 MET 435 HB3 MET 435 -7.266 18.054 19.303 7 HG2 MET 435 HG2 MET 435 -8.521 19.066 21.850 8 HG3 MET 435 HG3 MET 435 -7.192 19.812 20.962 9 HE1 MET 435 HE1 MET 435 -8.423 22.146 20.876 10 HE2 MET 435 HE2 MET 435 -9.740 21.452 21.827 11 HE3 MET 435 HE3 MET 435 -10.095 22.346 20.351 12 H GLU 436 H GLU 436 -10.184 15.520 18.318 13 HA GLU 436 HA GLU 436 -8.385 13.231 18.672 14 HB2 GLU 436 HB2 GLU 436 -11.139 13.442 17.442 15 HB3 GLU 436 HB3 GLU 436 -10.178 11.971 17.436 16 HG2 GLU 436 HG2 GLU 436 -11.749 11.809 19.204 17 HG3 GLU 436 HG3 GLU 436 -10.158 12.038 19.921 18 H PHE 437 H PHE 437 -6.812 12.949 17.289 19 HA PHE 437 HA PHE 437 -7.229 13.652 14.453 20 HB2 PHE 437 HB2 PHE 437 -4.663 13.806 16.063 21 HB3 PHE 437 HB3 PHE 437 -4.757 14.018 14.318 22 HD1 PHE 437 HD1 PHE 437 -5.783 16.010 13.351 23 HD2 PHE 437 HD2 PHE 437 -5.442 15.532 17.573 24 HE1 PHE 437 HE1 PHE 437 -6.248 18.406 13.659 25 HE2 PHE 437 HE2 PHE 437 -5.910 17.927 17.882 26 HZ PHE 437 HZ PHE 437 -6.311 19.368 15.926 27 HA PRO 438 HA PRO 438 -6.541 9.273 13.959 28 HB2 PRO 438 HB2 PRO 438 -6.721 9.163 11.258 29 HB3 PRO 438 HB3 PRO 438 -8.126 9.373 12.308 30 HG2 PRO 438 HG2 PRO 438 -6.651 11.398 10.696 31 HG3 PRO 438 HG3 PRO 438 -8.386 11.263 11.015 32 HD2 PRO 438 HD2 PRO 438 -6.677 13.006 12.315 33 HD3 PRO 438 HD3 PRO 438 -8.234 12.447 12.958 34 H ASP 439 H ASP 439 -5.157 7.825 12.497 35 HA ASP 439 HA ASP 439 -2.661 8.961 11.587 36 HB2 ASP 439 HB2 ASP 439 -2.499 8.655 14.129 37 HB3 ASP 439 HB3 ASP 439 -2.550 6.923 13.823 38 H LEU 440 H LEU 440 -3.501 8.025 9.620 39 HA LEU 440 HA LEU 440 -3.947 5.173 9.455 40 HB2 LEU 440 HB2 LEU 440 -3.812 7.301 7.312 41 HB3 LEU 440 HB3 LEU 440 -4.253 5.628 7.023 42 HG LEU 440 HG LEU 440 -5.798 7.552 8.776 43 HD11 LEU 440 HD11 LEU 440 -5.906 8.150 6.401 44 HD12 LEU 440 HD12 LEU 440 -7.456 7.565 7.003 45 HD13 LEU 440 HD13 LEU 440 -6.441 6.512 6.018 46 HD21 LEU 440 HD21 LEU 440 -6.029 5.236 9.510 47 HD22 LEU 440 HD22 LEU 440 -6.461 4.748 7.870 48 HD23 LEU 440 HD23 LEU 440 -7.525 5.818 8.783 49 H THR 441 H THR 441 -2.680 3.638 8.443 50 HA THR 441 HA THR 441 -0.199 4.449 7.140 51 HB THR 441 HB THR 441 0.469 4.158 9.493 52 HG1 THR 441 HG1 THR 441 2.161 3.616 8.299 53 HG21 THR 441 HG21 THR 441 -1.199 2.513 10.199 54 HG22 THR 441 HG22 THR 441 0.434 1.929 10.523 55 HG23 THR 441 HG23 THR 441 -0.467 1.306 9.141 56 H VAL 442 H VAL 442 0.814 2.759 5.922 57 HA VAL 442 HA VAL 442 -0.934 0.450 5.333 58 HB VAL 442 HB VAL 442 -0.264 0.618 2.951 59 HG11 VAL 442 HG11 VAL 442 -1.649 2.559 2.360 60 HG12 VAL 442 HG12 VAL 442 -1.558 3.133 4.025 61 HG13 VAL 442 HG13 VAL 442 -2.381 1.617 3.659 62 HG21 VAL 442 HG21 VAL 442 0.980 3.260 3.746 63 HG22 VAL 442 HG22 VAL 442 0.826 2.635 2.104 64 HG23 VAL 442 HG23 VAL 442 1.864 1.811 3.267 65 H GLU 443 H GLU 443 0.117 -1.494 4.780 66 HA GLU 443 HA GLU 443 3.056 -1.543 5.057 67 HB2 GLU 443 HB2 GLU 443 1.127 -3.433 6.424 68 HB3 GLU 443 HB3 GLU 443 2.880 -3.558 6.468 69 HG2 GLU 443 HG2 GLU 443 3.064 -1.527 7.714 70 HG3 GLU 443 HG3 GLU 443 1.347 -1.184 7.509 71 H ILE 444 H ILE 444 3.906 -2.418 3.292 72 HA ILE 444 HA ILE 444 2.378 -4.335 1.680 73 HB ILE 444 HB ILE 444 5.063 -3.057 1.085 74 HG12 ILE 444 HG12 ILE 444 2.306 -2.366 0.024 75 HG13 ILE 444 HG13 ILE 444 3.238 -1.399 1.163 76 HG21 ILE 444 HG21 ILE 444 3.216 -4.694 -0.662 77 HG22 ILE 444 HG22 ILE 444 4.813 -5.168 -0.078 78 HG23 ILE 444 HG23 ILE 444 4.653 -3.843 -1.228 79 HD11 ILE 444 HD11 ILE 444 3.378 -0.477 -1.065 80 HD12 ILE 444 HD12 ILE 444 3.996 -2.006 -1.687 81 HD13 ILE 444 HD13 ILE 444 4.958 -1.063 -0.547 82 H LYS 445 H LYS 445 2.842 -6.488 1.619 83 HA LYS 445 HA LYS 445 5.439 -7.429 2.609 84 HB2 LYS 445 HB2 LYS 445 3.738 -7.383 4.487 85 HB3 LYS 445 HB3 LYS 445 2.830 -8.596 3.596 86 HG2 LYS 445 HG2 LYS 445 4.594 -10.192 3.812 87 HG3 LYS 445 HG3 LYS 445 5.689 -8.972 4.471 88 HD2 LYS 445 HD2 LYS 445 4.216 -8.735 6.433 89 HD3 LYS 445 HD3 LYS 445 3.158 -9.990 5.782 90 HE2 LYS 445 HE2 LYS 445 4.675 -10.883 7.487 91 HE3 LYS 445 HE3 LYS 445 4.979 -11.610 5.910 92 HZ1 LYS 445 HZ1 LYS 445 6.562 -9.405 7.124 93 HZ2 LYS 445 HZ2 LYS 445 6.863 -10.136 5.628 94 HZ3 LYS 445 HZ3 LYS 445 7.030 -11.030 7.055 95 H GLY 446 H GLY 446 6.193 -9.271 1.604 96 HA2 GLY 446 HA2 GLY 446 4.934 -11.367 0.453 97 HA3 GLY 446 HA3 GLY 446 4.766 -10.128 -0.777 98 HA PRO 447 HA PRO 447 8.764 -12.404 -1.551 99 HB2 PRO 447 HB2 PRO 447 8.431 -12.684 -4.232 100 HB3 PRO 447 HB3 PRO 447 7.728 -13.805 -3.059 101 HG2 PRO 447 HG2 PRO 447 6.430 -11.502 -4.485 102 HG3 PRO 447 HG3 PRO 447 5.806 -13.141 -4.209 103 HD2 PRO 447 HD2 PRO 447 5.064 -11.022 -2.684 104 HD3 PRO 447 HD3 PRO 447 5.175 -12.672 -2.037 105 H ASP 448 H ASP 448 10.546 -11.186 -1.684 106 HA ASP 448 HA ASP 448 10.456 -8.546 -2.890 107 HB2 ASP 448 HB2 ASP 448 12.778 -8.366 -1.919 108 HB3 ASP 448 HB3 ASP 448 11.499 -8.675 -0.749 109 H VAL 449 H VAL 449 11.488 -11.670 -3.831 110 HA VAL 449 HA VAL 449 12.652 -10.523 -6.288 111 HB VAL 449 HB VAL 449 13.726 -12.954 -4.823 112 HG11 VAL 449 HG11 VAL 449 13.814 -13.327 -7.219 113 HG12 VAL 449 HG12 VAL 449 15.440 -13.015 -6.610 114 HG13 VAL 449 HG13 VAL 449 14.562 -11.749 -7.470 115 HG21 VAL 449 HG21 VAL 449 14.440 -10.859 -3.798 116 HG22 VAL 449 HG22 VAL 449 14.988 -10.258 -5.363 117 HG23 VAL 449 HG23 VAL 449 15.796 -11.637 -4.615 118 H VAL 450 H VAL 450 11.704 -11.264 -8.100 119 HA VAL 450 HA VAL 450 10.204 -13.802 -8.013 120 HB VAL 450 HB VAL 450 8.345 -12.772 -9.284 121 HG11 VAL 450 HG11 VAL 450 8.118 -13.016 -6.877 122 HG12 VAL 450 HG12 VAL 450 7.336 -11.529 -7.411 123 HG13 VAL 450 HG13 VAL 450 8.912 -11.461 -6.620 124 HG21 VAL 450 HG21 VAL 450 9.791 -10.174 -8.730 125 HG22 VAL 450 HG22 VAL 450 8.154 -10.310 -9.372 126 HG23 VAL 450 HG23 VAL 450 9.522 -10.911 -10.310 127 H GLY 451 H GLY 451 9.612 -14.612 -10.200 128 HA2 GLY 451 HA2 GLY 451 11.839 -14.226 -12.049 129 HA3 GLY 451 HA3 GLY 451 10.628 -15.496 -12.123 130 H VAL 452 H VAL 452 11.524 -13.937 -14.333 131 HA VAL 452 HA VAL 452 9.648 -11.870 -14.938 132 HB VAL 452 HB VAL 452 11.945 -12.054 -15.935 133 HG11 VAL 452 HG11 VAL 452 12.272 -13.515 -17.883 134 HG12 VAL 452 HG12 VAL 452 10.689 -14.239 -17.601 135 HG13 VAL 452 HG13 VAL 452 11.975 -14.439 -16.409 136 HG21 VAL 452 HG21 VAL 452 10.259 -10.561 -16.894 137 HG22 VAL 452 HG22 VAL 452 9.674 -11.870 -17.923 138 HG23 VAL 452 HG23 VAL 452 11.303 -11.231 -18.147 139 H ASN 453 H ASN 453 7.817 -11.911 -16.203 140 HA ASN 453 HA ASN 453 5.855 -12.708 -17.024 141 HB2 ASN 453 HB2 ASN 453 7.659 -14.929 -18.010 142 HB3 ASN 453 HB3 ASN 453 5.972 -14.749 -18.486 143 HD21 ASN 453 HD21 ASN 453 9.176 -13.468 -18.781 144 HD22 ASN 453 HD22 ASN 453 8.841 -12.378 -20.077 145 H LYS 454 H LYS 454 6.830 -13.573 -14.303 146 HA LYS 454 HA LYS 454 5.085 -15.930 -13.949 147 HB2 LYS 454 HB2 LYS 454 7.343 -14.920 -12.200 148 HB3 LYS 454 HB3 LYS 454 6.300 -16.276 -11.795 149 HG2 LYS 454 HG2 LYS 454 8.194 -16.113 -14.140 150 HG3 LYS 454 HG3 LYS 454 8.426 -17.051 -12.664 151 HD2 LYS 454 HD2 LYS 454 6.268 -17.467 -14.742 152 HD3 LYS 454 HD3 LYS 454 7.666 -18.504 -14.457 153 HE2 LYS 454 HE2 LYS 454 6.819 -18.986 -12.189 154 HE3 LYS 454 HE3 LYS 454 5.405 -17.983 -12.516 155 HZ1 LYS 454 HZ1 LYS 454 4.832 -20.255 -12.866 156 HZ2 LYS 454 HZ2 LYS 454 6.154 -20.505 -13.888 157 HZ3 LYS 454 HZ3 LYS 454 4.887 -19.503 -14.380 158 H LEU 455 H LEU 455 3.689 -15.967 -12.069 159 HA LEU 455 HA LEU 455 2.599 -13.324 -11.472 160 HB2 LEU 455 HB2 LEU 455 1.140 -15.227 -12.179 161 HB3 LEU 455 HB3 LEU 455 1.544 -16.045 -10.680 162 HG LEU 455 HG LEU 455 0.514 -14.183 -9.406 163 HD11 LEU 455 HD11 LEU 455 -0.875 -12.544 -10.611 164 HD12 LEU 455 HD12 LEU 455 -0.254 -13.164 -12.141 165 HD13 LEU 455 HD13 LEU 455 0.838 -12.385 -10.996 166 HD21 LEU 455 HD21 LEU 455 -1.826 -14.699 -9.977 167 HD22 LEU 455 HD22 LEU 455 -0.823 -16.147 -9.897 168 HD23 LEU 455 HD23 LEU 455 -1.280 -15.477 -11.463 169 H ALA 456 H ALA 456 2.563 -12.362 -9.475 170 HA ALA 456 HA ALA 456 3.642 -13.863 -7.171 171 HB1 ALA 456 HB1 ALA 456 5.392 -12.396 -8.073 172 HB2 ALA 456 HB2 ALA 456 4.890 -11.897 -6.457 173 HB3 ALA 456 HB3 ALA 456 4.326 -11.006 -7.871 174 H GLU 457 H GLU 457 2.727 -13.416 -5.173 175 HA GLU 457 HA GLU 457 0.334 -11.687 -5.202 176 HB2 GLU 457 HB2 GLU 457 0.927 -14.280 -3.804 177 HB3 GLU 457 HB3 GLU 457 -0.272 -13.180 -3.137 178 HG2 GLU 457 HG2 GLU 457 -1.619 -13.325 -5.092 179 HG3 GLU 457 HG3 GLU 457 -0.364 -14.204 -5.971 180 H TYR 458 H TYR 458 0.316 -9.950 -3.952 181 HA TYR 458 HA TYR 458 2.176 -9.812 -1.654 182 HB2 TYR 458 HB2 TYR 458 1.347 -7.585 -3.537 183 HB3 TYR 458 HB3 TYR 458 2.273 -7.344 -2.062 184 HD1 TYR 458 HD1 TYR 458 2.368 -8.818 -5.457 185 HD2 TYR 458 HD2 TYR 458 4.624 -7.775 -1.997 186 HE1 TYR 458 HE1 TYR 458 4.451 -9.175 -6.712 187 HE2 TYR 458 HE2 TYR 458 6.708 -8.133 -3.243 188 HH TYR 458 HH TYR 458 7.529 -9.280 -5.170 189 H GLU 459 H GLU 459 1.456 -8.655 0.182 190 HA GLU 459 HA GLU 459 -1.475 -8.336 0.359 191 HB2 GLU 459 HB2 GLU 459 0.431 -9.437 2.439 192 HB3 GLU 459 HB3 GLU 459 -1.281 -9.137 2.707 193 HG2 GLU 459 HG2 GLU 459 -1.897 -10.822 1.133 194 HG3 GLU 459 HG3 GLU 459 -0.229 -11.017 0.601 195 H VAL 460 H VAL 460 -2.166 -6.413 1.029 196 HA VAL 460 HA VAL 460 -0.257 -4.549 2.280 197 HB VAL 460 HB VAL 460 -2.872 -3.886 0.903 198 HG11 VAL 460 HG11 VAL 460 -2.221 -2.227 2.565 199 HG12 VAL 460 HG12 VAL 460 -2.033 -1.573 0.938 200 HG13 VAL 460 HG13 VAL 460 -0.616 -2.106 1.843 201 HG21 VAL 460 HG21 VAL 460 -1.488 -3.057 -0.958 202 HG22 VAL 460 HG22 VAL 460 -1.302 -4.794 -0.715 203 HG23 VAL 460 HG23 VAL 460 -0.048 -3.686 -0.156 204 H HIS 461 H HIS 461 -0.464 -4.457 4.437 205 HA HIS 461 HA HIS 461 -3.075 -4.768 5.714 206 HB2 HIS 461 HB2 HIS 461 -0.282 -4.445 6.826 207 HB3 HIS 461 HB3 HIS 461 -1.713 -4.412 7.846 208 HD1 HIS 461 HD1 HIS 461 -2.467 -6.601 8.724 209 HD2 HIS 461 HD2 HIS 461 -0.012 -7.033 5.389 210 HE1 HIS 461 HE1 HIS 461 -2.113 -9.072 8.462 211 HE2 HIS 461 HE2 HIS 461 -0.681 -9.319 6.409 212 H VAL 462 H VAL 462 -4.360 -3.013 5.729 213 HA VAL 462 HA VAL 462 -3.121 -0.368 6.144 214 HB VAL 462 HB VAL 462 -5.147 0.628 5.205 215 HG11 VAL 462 HG11 VAL 462 -3.333 0.068 3.683 216 HG12 VAL 462 HG12 VAL 462 -4.889 -0.133 2.881 217 HG13 VAL 462 HG13 VAL 462 -4.000 -1.547 3.446 218 HG21 VAL 462 HG21 VAL 462 -6.798 -1.045 5.907 219 HG22 VAL 462 HG22 VAL 462 -6.118 -2.208 4.768 220 HG23 VAL 462 HG23 VAL 462 -6.904 -0.745 4.173 221 H LYS 463 H LYS 463 -3.404 0.604 8.057 222 HA LYS 463 HA LYS 463 -5.666 -0.185 9.752 223 HB2 LYS 463 HB2 LYS 463 -4.059 -0.448 11.696 224 HB3 LYS 463 HB3 LYS 463 -4.050 -1.732 10.495 225 HG2 LYS 463 HG2 LYS 463 -1.959 -1.189 9.720 226 HG3 LYS 463 HG3 LYS 463 -2.105 0.501 10.195 227 HD2 LYS 463 HD2 LYS 463 -0.490 -0.576 11.631 228 HD3 LYS 463 HD3 LYS 463 -1.931 -0.196 12.572 229 HE2 LYS 463 HE2 LYS 463 -1.113 -2.405 13.137 230 HE3 LYS 463 HE3 LYS 463 -2.682 -2.528 12.340 231 HZ1 LYS 463 HZ1 LYS 463 -1.053 -4.165 11.547 232 HZ2 LYS 463 HZ2 LYS 463 -0.068 -2.911 10.987 233 HZ3 LYS 463 HZ3 LYS 463 -1.598 -3.156 10.312 234 H ASN 464 H ASN 464 -6.171 1.202 11.432 235 HA ASN 464 HA ASN 464 -5.124 3.947 11.209 236 HB2 ASN 464 HB2 ASN 464 -7.597 3.463 10.997 237 HB3 ASN 464 HB3 ASN 464 -7.586 2.944 12.676 238 HD21 ASN 464 HD21 ASN 464 -9.084 5.063 11.432 239 HD22 ASN 464 HD22 ASN 464 -8.655 6.522 12.252 240 H LEU 465 H LEU 465 -4.095 4.942 12.952 241 HA LEU 465 HA LEU 465 -3.775 3.313 15.404 242 HB2 LEU 465 HB2 LEU 465 -1.747 5.139 14.102 243 HB3 LEU 465 HB3 LEU 465 -1.519 4.308 15.630 244 HG LEU 465 HG LEU 465 -1.881 2.958 12.943 245 HD11 LEU 465 HD11 LEU 465 0.273 4.097 13.124 246 HD12 LEU 465 HD12 LEU 465 0.470 2.344 13.152 247 HD13 LEU 465 HD13 LEU 465 0.591 3.270 14.650 248 HD21 LEU 465 HD21 LEU 465 -2.774 1.590 14.741 249 HD22 LEU 465 HD22 LEU 465 -1.294 1.803 15.676 250 HD23 LEU 465 HD23 LEU 465 -1.259 0.900 14.160 251 H GLY 466 H GLY 466 -5.095 6.149 14.268 252 HA2 GLY 466 HA2 GLY 466 -4.309 7.944 16.381 253 HA3 GLY 466 HA3 GLY 466 -5.541 8.239 15.170 254 H GLY 467 H GLY 467 -6.903 5.646 16.006 255 HA2 GLY 467 HA2 GLY 467 -8.324 4.884 17.714 256 HA3 GLY 467 HA3 GLY 467 -7.863 6.265 18.693 257 H ILE 468 H ILE 468 -8.798 7.053 15.513 258 HA ILE 468 HA ILE 468 -11.606 7.529 16.245 259 HB ILE 468 HB ILE 468 -10.670 9.670 16.582 260 HG12 ILE 468 HG12 ILE 468 -11.683 9.679 13.720 261 HG13 ILE 468 HG13 ILE 468 -12.704 9.695 15.159 262 HG21 ILE 468 HG21 ILE 468 -9.153 9.334 13.996 263 HG22 ILE 468 HG22 ILE 468 -8.480 9.276 15.626 264 HG23 ILE 468 HG23 ILE 468 -9.152 10.782 15.004 265 HD11 ILE 468 HD11 ILE 468 -10.746 11.842 14.358 266 HD12 ILE 468 HD12 ILE 468 -11.782 11.863 15.786 267 HD13 ILE 468 HD13 ILE 468 -12.500 11.908 14.177 268 H GLY 469 H GLY 469 -13.090 7.366 14.532 269 HA2 GLY 469 HA2 GLY 469 -12.333 5.582 12.446 270 HA3 GLY 469 HA3 GLY 469 -13.907 6.325 12.652 271 H VAL 470 H VAL 470 -12.060 5.838 10.279 272 HA VAL 470 HA VAL 470 -12.253 8.552 9.142 273 HB VAL 470 HB VAL 470 -9.986 6.616 8.597 274 HG11 VAL 470 HG11 VAL 470 -10.431 9.455 7.661 275 HG12 VAL 470 HG12 VAL 470 -10.517 7.999 6.669 276 HG13 VAL 470 HG13 VAL 470 -8.979 8.495 7.373 277 HG21 VAL 470 HG21 VAL 470 -9.957 9.185 10.199 278 HG22 VAL 470 HG22 VAL 470 -8.546 8.207 9.786 279 HG23 VAL 470 HG23 VAL 470 -9.792 7.552 10.848 280 HA PRO 471 HA PRO 471 -14.283 6.032 5.920 281 HB2 PRO 471 HB2 PRO 471 -15.957 7.900 5.030 282 HB3 PRO 471 HB3 PRO 471 -16.203 7.164 6.619 283 HG2 PRO 471 HG2 PRO 471 -15.000 9.823 5.929 284 HG3 PRO 471 HG3 PRO 471 -16.136 9.413 7.228 285 HD2 PRO 471 HD2 PRO 471 -13.380 9.662 7.537 286 HD3 PRO 471 HD3 PRO 471 -14.453 8.783 8.643 287 H SER 472 H SER 472 -12.239 8.731 5.722 288 HA SER 472 HA SER 472 -12.434 9.190 2.865 289 HB2 SER 472 HB2 SER 472 -10.751 10.955 3.248 290 HB3 SER 472 HB3 SER 472 -12.118 11.108 4.350 291 HG SER 472 HG SER 472 -9.485 10.686 4.895 292 H THR 473 H THR 473 -11.253 6.574 4.036 293 HA THR 473 HA THR 473 -8.389 6.885 3.598 294 HB THR 473 HB THR 473 -9.959 4.461 4.529 295 HG1 THR 473 HG1 THR 473 -8.775 6.641 5.877 296 HG21 THR 473 HG21 THR 473 -7.774 3.858 3.582 297 HG22 THR 473 HG22 THR 473 -7.805 3.616 5.330 298 HG23 THR 473 HG23 THR 473 -6.992 5.024 4.649 299 H LYS 474 H LYS 474 -8.205 7.086 1.370 300 HA LYS 474 HA LYS 474 -8.864 4.767 -0.307 301 HB2 LYS 474 HB2 LYS 474 -7.548 7.378 -1.108 302 HB3 LYS 474 HB3 LYS 474 -8.180 6.146 -2.191 303 HG2 LYS 474 HG2 LYS 474 -10.452 6.618 -1.409 304 HG3 LYS 474 HG3 LYS 474 -9.817 7.849 -0.311 305 HD2 LYS 474 HD2 LYS 474 -8.878 9.044 -2.294 306 HD3 LYS 474 HD3 LYS 474 -9.677 7.862 -3.332 307 HE2 LYS 474 HE2 LYS 474 -11.853 8.555 -2.465 308 HE3 LYS 474 HE3 LYS 474 -11.069 9.709 -1.383 309 HZ1 LYS 474 HZ1 LYS 474 -11.855 10.853 -3.322 310 HZ2 LYS 474 HZ2 LYS 474 -11.057 9.776 -4.353 311 HZ3 LYS 474 HZ3 LYS 474 -10.166 10.827 -3.375 312 H VAL 475 H VAL 475 -7.364 3.252 -0.786 313 HA VAL 475 HA VAL 475 -4.519 3.830 -0.195 314 HB VAL 475 HB VAL 475 -5.893 1.128 -0.189 315 HG11 VAL 475 HG11 VAL 475 -3.807 0.320 0.845 316 HG12 VAL 475 HG12 VAL 475 -3.095 1.923 0.651 317 HG13 VAL 475 HG13 VAL 475 -3.529 0.973 -0.770 318 HG21 VAL 475 HG21 VAL 475 -5.027 2.858 2.139 319 HG22 VAL 475 HG22 VAL 475 -5.648 1.210 2.258 320 HG23 VAL 475 HG23 VAL 475 -6.688 2.502 1.662 321 H ARG 476 H ARG 476 -3.145 3.806 -1.889 322 HA ARG 476 HA ARG 476 -3.956 2.354 -4.337 323 HB2 ARG 476 HB2 ARG 476 -2.601 5.057 -4.187 324 HB3 ARG 476 HB3 ARG 476 -2.914 4.164 -5.671 325 HG2 ARG 476 HG2 ARG 476 -5.321 4.322 -5.267 326 HG3 ARG 476 HG3 ARG 476 -5.017 5.205 -3.769 327 HD2 ARG 476 HD2 ARG 476 -3.900 6.976 -5.069 328 HD3 ARG 476 HD3 ARG 476 -4.262 6.101 -6.554 329 HE ARG 476 HE ARG 476 -6.625 6.503 -6.097 330 HH11 ARG 476 HH11 ARG 476 -4.336 8.414 -4.388 331 HH12 ARG 476 HH12 ARG 476 -5.453 9.707 -4.119 332 HH21 ARG 476 HH21 ARG 476 -8.055 8.185 -5.758 333 HH22 ARG 476 HH22 ARG 476 -7.531 9.583 -4.879 334 H VAL 477 H VAL 477 -2.308 1.455 -5.614 335 HA VAL 477 HA VAL 477 0.344 1.259 -4.316 336 HB VAL 477 HB VAL 477 -1.214 -0.898 -5.765 337 HG11 VAL 477 HG11 VAL 477 1.654 -0.980 -4.799 338 HG12 VAL 477 HG12 VAL 477 1.116 -1.022 -6.478 339 HG13 VAL 477 HG13 VAL 477 0.736 -2.363 -5.397 340 HG21 VAL 477 HG21 VAL 477 -0.126 -0.744 -2.944 341 HG22 VAL 477 HG22 VAL 477 -0.996 -2.111 -3.643 342 HG23 VAL 477 HG23 VAL 477 -1.816 -0.566 -3.414 343 H TYR 478 H TYR 478 2.034 1.846 -5.495 344 HA TYR 478 HA TYR 478 1.732 2.105 -8.425 345 HB2 TYR 478 HB2 TYR 478 3.306 3.878 -6.535 346 HB3 TYR 478 HB3 TYR 478 3.301 4.024 -8.289 347 HD1 TYR 478 HD1 TYR 478 1.262 4.425 -5.235 348 HD2 TYR 478 HD2 TYR 478 1.482 5.079 -9.440 349 HE1 TYR 478 HE1 TYR 478 -0.684 5.921 -5.102 350 HE2 TYR 478 HE2 TYR 478 -0.462 6.576 -9.314 351 HH TYR 478 HH TYR 478 -1.721 7.719 -6.332 352 H ILE 479 H ILE 479 3.272 1.206 -9.676 353 HA ILE 479 HA ILE 479 5.669 0.058 -8.394 354 HB ILE 479 HB ILE 479 4.423 -0.662 -11.064 355 HG12 ILE 479 HG12 ILE 479 4.350 -2.158 -8.428 356 HG13 ILE 479 HG13 ILE 479 2.996 -1.279 -9.129 357 HG21 ILE 479 HG21 ILE 479 6.818 -1.077 -11.026 358 HG22 ILE 479 HG22 ILE 479 5.938 -2.604 -10.989 359 HG23 ILE 479 HG23 ILE 479 6.663 -1.970 -9.512 360 HD11 ILE 479 HD11 ILE 479 2.781 -3.659 -9.488 361 HD12 ILE 479 HD12 ILE 479 4.339 -3.699 -10.314 362 HD13 ILE 479 HD13 ILE 479 2.986 -2.816 -11.023 363 H ASN 480 H ASN 480 7.367 1.410 -8.597 364 HA ASN 480 HA ASN 480 8.805 2.989 -9.378 365 HB2 ASN 480 HB2 ASN 480 8.034 1.731 -12.021 366 HB3 ASN 480 HB3 ASN 480 9.332 2.907 -11.839 367 HD21 ASN 480 HD21 ASN 480 9.467 0.155 -12.725 368 HD22 ASN 480 HD22 ASN 480 10.567 -0.634 -11.655 369 H GLY 481 H GLY 481 6.138 3.833 -8.887 370 HA2 GLY 481 HA2 GLY 481 5.140 5.945 -9.026 371 HA3 GLY 481 HA3 GLY 481 6.100 6.294 -10.452 372 H THR 482 H THR 482 4.840 3.372 -11.142 373 HA THR 482 HA THR 482 2.684 4.547 -12.750 374 HB THR 482 HB THR 482 3.809 1.729 -12.827 375 HG1 THR 482 HG1 THR 482 5.404 3.192 -13.473 376 HG21 THR 482 HG21 THR 482 2.746 1.596 -15.031 377 HG22 THR 482 HG22 THR 482 2.073 3.212 -14.814 378 HG23 THR 482 HG23 THR 482 1.550 1.889 -13.769 379 H LEU 483 H LEU 483 0.562 4.311 -12.231 380 HA LEU 483 HA LEU 483 -0.227 3.082 -9.803 381 HB2 LEU 483 HB2 LEU 483 -1.422 4.991 -10.728 382 HB3 LEU 483 HB3 LEU 483 -1.909 4.042 -12.121 383 HG LEU 483 HG LEU 483 -3.219 2.554 -10.603 384 HD11 LEU 483 HD11 LEU 483 -2.494 4.595 -8.505 385 HD12 LEU 483 HD12 LEU 483 -2.020 2.895 -8.534 386 HD13 LEU 483 HD13 LEU 483 -3.715 3.335 -8.325 387 HD21 LEU 483 HD21 LEU 483 -3.937 5.483 -10.511 388 HD22 LEU 483 HD22 LEU 483 -5.044 4.147 -10.194 389 HD23 LEU 483 HD23 LEU 483 -4.337 4.344 -11.797 390 H TYR 484 H TYR 484 -0.435 0.964 -9.411 391 HA TYR 484 HA TYR 484 -1.028 -0.910 -11.565 392 HB2 TYR 484 HB2 TYR 484 0.653 -1.672 -10.062 393 HB3 TYR 484 HB3 TYR 484 -0.309 -1.254 -8.647 394 HD1 TYR 484 HD1 TYR 484 0.027 -3.669 -11.442 395 HD2 TYR 484 HD2 TYR 484 -1.938 -2.767 -7.768 396 HE1 TYR 484 HE1 TYR 484 -0.892 -5.952 -11.372 397 HE2 TYR 484 HE2 TYR 484 -2.859 -5.039 -7.697 398 HH TYR 484 HH TYR 484 -1.806 -7.534 -9.794 399 H LYS 485 H LYS 485 -2.541 0.172 -8.516 400 HA LYS 485 HA LYS 485 -5.184 -0.200 -9.498 401 HB2 LYS 485 HB2 LYS 485 -4.549 -2.578 -9.129 402 HB3 LYS 485 HB3 LYS 485 -4.254 -2.219 -7.436 403 HG2 LYS 485 HG2 LYS 485 -6.580 -1.725 -7.074 404 HG3 LYS 485 HG3 LYS 485 -6.923 -1.880 -8.798 405 HD2 LYS 485 HD2 LYS 485 -6.365 -4.246 -8.726 406 HD3 LYS 485 HD3 LYS 485 -5.914 -4.111 -7.025 407 HE2 LYS 485 HE2 LYS 485 -8.161 -5.077 -7.316 408 HE3 LYS 485 HE3 LYS 485 -8.200 -3.554 -6.429 409 HZ1 LYS 485 HZ1 LYS 485 -8.808 -3.862 -9.319 410 HZ2 LYS 485 HZ2 LYS 485 -8.910 -2.430 -8.426 411 HZ3 LYS 485 HZ3 LYS 485 -9.958 -3.710 -8.091 412 H ASN 486 H ASN 486 -6.852 0.277 -7.829 413 HA ASN 486 HA ASN 486 -5.784 1.657 -5.448 414 HB2 ASN 486 HB2 ASN 486 -7.371 3.497 -5.772 415 HB3 ASN 486 HB3 ASN 486 -6.301 3.351 -7.162 416 HD21 ASN 486 HD21 ASN 486 -7.141 2.621 -9.123 417 HD22 ASN 486 HD22 ASN 486 -8.839 2.598 -9.433 418 H TRP 487 H TRP 487 -7.165 1.744 -3.643 419 HA TRP 487 HA TRP 487 -9.705 0.256 -3.778 420 HB2 TRP 487 HB2 TRP 487 -7.558 -0.063 -1.662 421 HB3 TRP 487 HB3 TRP 487 -9.191 -0.703 -1.519 422 HD1 TRP 487 HD1 TRP 487 -9.851 -2.737 -3.222 423 HE1 TRP 487 HE1 TRP 487 -8.367 -4.537 -4.302 424 HE3 TRP 487 HE3 TRP 487 -5.290 -0.499 -2.622 425 HZ2 TRP 487 HZ2 TRP 487 -5.627 -4.959 -4.826 426 HZ3 TRP 487 HZ3 TRP 487 -3.291 -1.672 -3.438 427 HH2 TRP 487 HH2 TRP 487 -3.453 -3.856 -4.519 428 H THR 488 H THR 488 -11.330 1.010 -2.410 429 HA THR 488 HA THR 488 -10.683 3.363 -0.731 430 HB THR 488 HB THR 488 -13.302 2.832 -2.175 431 HG1 THR 488 HG1 THR 488 -11.543 3.566 -3.537 432 HG21 THR 488 HG21 THR 488 -12.427 5.211 -0.521 433 HG22 THR 488 HG22 THR 488 -13.617 4.002 -0.036 434 HG23 THR 488 HG23 THR 488 -13.949 5.066 -1.401 435 H VAL 489 H VAL 489 -10.950 2.976 1.390 436 HA VAL 489 HA VAL 489 -13.006 1.070 2.282 437 HB VAL 489 HB VAL 489 -11.430 0.017 3.874 438 HG11 VAL 489 HG11 VAL 489 -10.225 -1.378 2.261 439 HG12 VAL 489 HG12 VAL 489 -10.539 -0.193 0.992 440 HG13 VAL 489 HG13 VAL 489 -11.879 -1.069 1.730 441 HG21 VAL 489 HG21 VAL 489 -9.815 1.852 4.056 442 HG22 VAL 489 HG22 VAL 489 -9.294 1.570 2.394 443 HG23 VAL 489 HG23 VAL 489 -9.011 0.341 3.628 444 H SER 490 H SER 490 -13.148 1.105 4.762 445 HA SER 490 HA SER 490 -12.557 3.800 5.827 446 HB2 SER 490 HB2 SER 490 -14.659 3.726 7.097 447 HB3 SER 490 HB3 SER 490 -14.979 3.568 5.371 448 HG SER 490 HG SER 490 -14.653 1.247 6.931 449 H LEU 491 H LEU 491 -11.527 3.854 7.765 450 HA LEU 491 HA LEU 491 -11.208 1.285 9.207 451 HB2 LEU 491 HB2 LEU 491 -9.244 3.560 8.865 452 HB3 LEU 491 HB3 LEU 491 -8.988 2.193 9.935 453 HG LEU 491 HG LEU 491 -9.295 2.000 6.929 454 HD11 LEU 491 HD11 LEU 491 -6.826 1.833 8.659 455 HD12 LEU 491 HD12 LEU 491 -7.217 3.109 7.504 456 HD13 LEU 491 HD13 LEU 491 -6.896 1.473 6.933 457 HD21 LEU 491 HD21 LEU 491 -8.527 -0.316 7.251 458 HD22 LEU 491 HD22 LEU 491 -10.062 -0.007 8.064 459 HD23 LEU 491 HD23 LEU 491 -8.567 -0.078 8.999 460 H GLY 492 H GLY 492 -12.130 1.271 11.159 461 HA2 GLY 492 HA2 GLY 492 -13.007 3.700 12.440 462 HA3 GLY 492 HA3 GLY 492 -13.210 2.065 13.048 463 HA PRO 493 HA PRO 493 -10.125 4.309 15.768 464 HB2 PRO 493 HB2 PRO 493 -11.044 3.080 18.063 465 HB3 PRO 493 HB3 PRO 493 -11.599 4.648 17.474 466 HG2 PRO 493 HG2 PRO 493 -12.863 1.949 17.137 467 HG3 PRO 493 HG3 PRO 493 -13.628 3.506 17.512 468 HD2 PRO 493 HD2 PRO 493 -13.701 2.477 15.033 469 HD3 PRO 493 HD3 PRO 493 -13.525 4.226 15.297 470 H LYS 494 H LYS 494 -8.440 3.145 14.866 471 HA LYS 494 HA LYS 494 -6.716 1.697 14.825 472 HB2 LYS 494 HB2 LYS 494 -7.865 0.799 17.469 473 HB3 LYS 494 HB3 LYS 494 -6.315 0.258 16.831 474 HG2 LYS 494 HG2 LYS 494 -5.504 2.567 16.815 475 HG3 LYS 494 HG3 LYS 494 -7.058 3.120 17.441 476 HD2 LYS 494 HD2 LYS 494 -6.706 1.837 19.488 477 HD3 LYS 494 HD3 LYS 494 -5.172 1.229 18.858 478 HE2 LYS 494 HE2 LYS 494 -4.293 3.517 18.789 479 HE3 LYS 494 HE3 LYS 494 -5.828 4.129 19.406 480 HZ1 LYS 494 HZ1 LYS 494 -3.974 2.302 20.836 481 HZ2 LYS 494 HZ2 LYS 494 -5.469 2.834 21.426 482 HZ3 LYS 494 HZ3 LYS 494 -4.218 3.940 21.170 483 H GLU 495 H GLU 495 -8.878 1.019 13.273 484 HA GLU 495 HA GLU 495 -9.092 -1.903 13.449 485 HB2 GLU 495 HB2 GLU 495 -11.158 -0.641 13.067 486 HB3 GLU 495 HB3 GLU 495 -10.468 0.090 11.628 487 HG2 GLU 495 HG2 GLU 495 -11.992 -1.660 10.992 488 HG3 GLU 495 HG3 GLU 495 -10.346 -2.133 10.575 489 H GLU 496 H GLU 496 -8.530 -3.265 11.660 490 HA GLU 496 HA GLU 496 -6.802 -2.063 9.594 491 HB2 GLU 496 HB2 GLU 496 -5.299 -3.098 11.191 492 HB3 GLU 496 HB3 GLU 496 -6.232 -4.591 11.165 493 HG2 GLU 496 HG2 GLU 496 -5.663 -4.849 8.757 494 HG3 GLU 496 HG3 GLU 496 -4.633 -3.428 8.883 495 H LYS 497 H LYS 497 -7.107 -2.795 7.543 496 HA LYS 497 HA LYS 497 -8.772 -5.214 7.150 497 HB2 LYS 497 HB2 LYS 497 -8.527 -2.933 5.173 498 HB3 LYS 497 HB3 LYS 497 -9.661 -4.274 5.128 499 HG2 LYS 497 HG2 LYS 497 -9.648 -2.021 7.134 500 HG3 LYS 497 HG3 LYS 497 -10.759 -2.205 5.778 501 HD2 LYS 497 HD2 LYS 497 -10.507 -4.136 8.093 502 HD3 LYS 497 HD3 LYS 497 -11.741 -2.886 7.952 503 HE2 LYS 497 HE2 LYS 497 -12.505 -3.958 5.837 504 HE3 LYS 497 HE3 LYS 497 -11.344 -5.256 6.120 505 HZ1 LYS 497 HZ1 LYS 497 -13.532 -5.878 6.889 506 HZ2 LYS 497 HZ2 LYS 497 -13.606 -4.522 7.901 507 HZ3 LYS 497 HZ3 LYS 497 -12.479 -5.746 8.207 508 H VAL 498 H VAL 498 -7.980 -6.783 5.737 509 HA VAL 498 HA VAL 498 -5.199 -6.387 4.844 510 HB VAL 498 HB VAL 498 -6.757 -8.967 5.162 511 HG11 VAL 498 HG11 VAL 498 -4.569 -10.067 4.898 512 HG12 VAL 498 HG12 VAL 498 -3.826 -8.500 4.571 513 HG13 VAL 498 HG13 VAL 498 -5.023 -9.158 3.456 514 HG21 VAL 498 HG21 VAL 498 -4.603 -7.764 6.916 515 HG22 VAL 498 HG22 VAL 498 -5.369 -9.336 7.146 516 HG23 VAL 498 HG23 VAL 498 -6.320 -7.860 7.311 517 H LEU 499 H LEU 499 -4.957 -5.798 2.787 518 HA LEU 499 HA LEU 499 -6.874 -6.715 0.740 519 HB2 LEU 499 HB2 LEU 499 -4.809 -4.502 0.613 520 HB3 LEU 499 HB3 LEU 499 -5.976 -4.888 -0.639 521 HG LEU 499 HG LEU 499 -6.670 -3.877 2.129 522 HD11 LEU 499 HD11 LEU 499 -7.272 -1.791 1.022 523 HD12 LEU 499 HD12 LEU 499 -6.739 -2.440 -0.529 524 HD13 LEU 499 HD13 LEU 499 -5.568 -2.164 0.761 525 HD21 LEU 499 HD21 LEU 499 -8.415 -5.309 1.211 526 HD22 LEU 499 HD22 LEU 499 -8.418 -4.374 -0.285 527 HD23 LEU 499 HD23 LEU 499 -8.935 -3.625 1.226 528 H THR 500 H THR 500 -6.170 -7.757 -1.151 529 HA THR 500 HA THR 500 -3.291 -8.445 -1.309 530 HB THR 500 HB THR 500 -3.940 -10.623 -2.353 531 HG1 THR 500 HG1 THR 500 -6.428 -10.749 -1.251 532 HG21 THR 500 HG21 THR 500 -3.262 -10.556 -0.016 533 HG22 THR 500 HG22 THR 500 -4.509 -11.774 -0.270 534 HG23 THR 500 HG23 THR 500 -4.923 -10.229 0.479 535 H PHE 501 H PHE 501 -2.434 -8.798 -3.406 536 HA PHE 501 HA PHE 501 -4.147 -8.560 -5.721 537 HB2 PHE 501 HB2 PHE 501 -2.946 -6.694 -6.759 538 HB3 PHE 501 HB3 PHE 501 -3.702 -6.195 -5.255 539 HD1 PHE 501 HD1 PHE 501 -2.337 -5.663 -3.290 540 HD2 PHE 501 HD2 PHE 501 -0.552 -6.715 -7.015 541 HE1 PHE 501 HE1 PHE 501 -0.194 -4.729 -2.527 542 HE2 PHE 501 HE2 PHE 501 1.593 -5.785 -6.253 543 HZ PHE 501 HZ PHE 501 1.773 -4.788 -4.006 544 H SER 502 H SER 502 -3.213 -9.344 -7.629 545 HA SER 502 HA SER 502 -0.681 -10.817 -7.231 546 HB2 SER 502 HB2 SER 502 -2.963 -11.449 -9.134 547 HB3 SER 502 HB3 SER 502 -1.501 -12.410 -8.917 548 HG SER 502 HG SER 502 -2.429 -13.330 -7.292 549 H TRP 503 H TRP 503 1.001 -9.974 -8.269 550 HA TRP 503 HA TRP 503 0.547 -8.330 -10.681 551 HB2 TRP 503 HB2 TRP 503 1.490 -7.040 -8.890 552 HB3 TRP 503 HB3 TRP 503 2.717 -8.258 -8.575 553 HD1 TRP 503 HD1 TRP 503 1.784 -6.281 -11.816 554 HE1 TRP 503 HE1 TRP 503 3.961 -5.300 -12.782 555 HE3 TRP 503 HE3 TRP 503 5.077 -7.953 -8.272 556 HZ2 TRP 503 HZ2 TRP 503 6.708 -5.235 -12.122 557 HZ3 TRP 503 HZ3 TRP 503 7.460 -7.385 -8.513 558 HH2 TRP 503 HH2 TRP 503 8.258 -6.055 -10.399 559 H THR 504 H THR 504 1.503 -8.840 -12.581 560 HA THR 504 HA THR 504 3.431 -11.089 -12.628 561 HB THR 504 HB THR 504 1.591 -10.243 -14.887 562 HG1 THR 504 HG1 THR 504 0.680 -12.459 -14.237 563 HG21 THR 504 HG21 THR 504 3.641 -11.373 -15.626 564 HG22 THR 504 HG22 THR 504 2.228 -12.395 -15.883 565 HG23 THR 504 HG23 THR 504 3.307 -12.711 -14.524 566 HA PRO 505 HA PRO 505 5.984 -7.694 -14.354 567 HB2 PRO 505 HB2 PRO 505 8.365 -8.712 -13.590 568 HB3 PRO 505 HB3 PRO 505 7.316 -7.827 -12.476 569 HG2 PRO 505 HG2 PRO 505 7.671 -10.789 -12.788 570 HG3 PRO 505 HG3 PRO 505 7.569 -9.823 -11.303 571 HD2 PRO 505 HD2 PRO 505 5.456 -11.216 -12.321 572 HD3 PRO 505 HD3 PRO 505 5.270 -9.731 -11.369 573 H THR 506 H THR 506 5.589 -8.182 -16.537 574 HA THR 506 HA THR 506 6.604 -10.567 -17.793 575 HB THR 506 HB THR 506 5.871 -9.532 -19.919 576 HG1 THR 506 HG1 THR 506 4.891 -7.465 -19.842 577 HG21 THR 506 HG21 THR 506 4.231 -10.770 -18.590 578 HG22 THR 506 HG22 THR 506 3.465 -9.404 -19.404 579 HG23 THR 506 HG23 THR 506 3.842 -9.307 -17.684 580 H GLN 507 H GLN 507 7.872 -7.386 -17.220 581 HA GLN 507 HA GLN 507 10.140 -7.924 -19.030 582 HB2 GLN 507 HB2 GLN 507 8.974 -5.791 -19.415 583 HB3 GLN 507 HB3 GLN 507 9.267 -5.319 -17.746 584 HG2 GLN 507 HG2 GLN 507 11.663 -5.289 -18.151 585 HG3 GLN 507 HG3 GLN 507 11.406 -5.841 -19.806 586 HE21 GLN 507 HE21 GLN 507 12.384 -4.048 -20.690 587 HE22 GLN 507 HE22 GLN 507 11.653 -2.480 -20.670 588 H GLU 508 H GLU 508 12.221 -7.999 -18.253 589 HA GLU 508 HA GLU 508 12.440 -8.653 -15.430 590 HB2 GLU 508 HB2 GLU 508 14.641 -9.561 -15.978 591 HB3 GLU 508 HB3 GLU 508 13.413 -10.193 -17.062 592 HG2 GLU 508 HG2 GLU 508 15.270 -7.925 -17.773 593 HG3 GLU 508 HG3 GLU 508 15.600 -9.615 -18.137 594 H GLY 509 H GLY 509 13.734 -7.682 -13.926 595 HA2 GLY 509 HA2 GLY 509 15.702 -5.926 -13.877 596 HA3 GLY 509 HA3 GLY 509 14.420 -4.880 -14.474 597 H MET 510 H MET 510 15.340 -3.915 -12.243 598 HA MET 510 HA MET 510 13.894 -5.094 -9.984 599 HB2 MET 510 HB2 MET 510 15.880 -2.818 -10.086 600 HB3 MET 510 HB3 MET 510 15.095 -3.385 -8.617 601 HG2 MET 510 HG2 MET 510 16.087 -5.659 -9.114 602 HG3 MET 510 HG3 MET 510 17.054 -4.862 -10.356 603 HE1 MET 510 HE1 MET 510 17.310 -3.877 -5.852 604 HE2 MET 510 HE2 MET 510 16.261 -5.125 -6.525 605 HE3 MET 510 HE3 MET 510 15.935 -3.424 -6.859 606 H TYR 511 H TYR 511 12.024 -4.358 -9.238 607 HA TYR 511 HA TYR 511 11.062 -1.708 -10.127 608 HB2 TYR 511 HB2 TYR 511 9.431 -4.250 -9.845 609 HB3 TYR 511 HB3 TYR 511 8.783 -2.664 -10.251 610 HD1 TYR 511 HD1 TYR 511 10.999 -5.380 -11.459 611 HD2 TYR 511 HD2 TYR 511 8.834 -1.861 -12.495 612 HE1 TYR 511 HE1 TYR 511 11.410 -5.831 -13.838 613 HE2 TYR 511 HE2 TYR 511 9.247 -2.306 -14.880 614 HH TYR 511 HH TYR 511 10.377 -5.273 -16.015 615 H ARG 512 H ARG 512 10.324 -0.394 -8.564 616 HA ARG 512 HA ARG 512 10.185 -1.429 -5.825 617 HB2 ARG 512 HB2 ARG 512 11.622 0.461 -6.034 618 HB3 ARG 512 HB3 ARG 512 10.424 1.359 -6.959 619 HG2 ARG 512 HG2 ARG 512 9.037 1.629 -5.022 620 HG3 ARG 512 HG3 ARG 512 10.065 0.550 -4.077 621 HD2 ARG 512 HD2 ARG 512 11.020 3.146 -5.283 622 HD3 ARG 512 HD3 ARG 512 10.403 2.997 -3.637 623 HE ARG 512 HE ARG 512 12.489 1.123 -4.139 624 HH11 ARG 512 HH11 ARG 512 11.920 4.455 -3.449 625 HH12 ARG 512 HH12 ARG 512 13.443 4.650 -2.653 626 HH21 ARG 512 HH21 ARG 512 14.406 1.375 -3.122 627 HH22 ARG 512 HH22 ARG 512 14.844 2.917 -2.467 628 H ILE 513 H ILE 513 8.287 -1.862 -4.925 629 HA ILE 513 HA ILE 513 5.824 -0.721 -6.056 630 HB ILE 513 HB ILE 513 6.190 -3.051 -4.152 631 HG12 ILE 513 HG12 ILE 513 5.465 -2.983 -7.099 632 HG13 ILE 513 HG13 ILE 513 7.000 -3.523 -6.430 633 HG21 ILE 513 HG21 ILE 513 3.682 -2.044 -5.509 634 HG22 ILE 513 HG22 ILE 513 4.059 -1.903 -3.792 635 HG23 ILE 513 HG23 ILE 513 3.809 -3.493 -4.508 636 HD11 ILE 513 HD11 ILE 513 5.836 -5.359 -5.286 637 HD12 ILE 513 HD12 ILE 513 5.632 -5.411 -7.037 638 HD13 ILE 513 HD13 ILE 513 4.319 -4.829 -6.015 639 H ASN 514 H ASN 514 4.934 0.964 -5.047 640 HA ASN 514 HA ASN 514 5.384 1.323 -2.148 641 HB2 ASN 514 HB2 ASN 514 4.959 3.397 -4.311 642 HB3 ASN 514 HB3 ASN 514 4.971 3.761 -2.589 643 HD21 ASN 514 HD21 ASN 514 6.899 3.606 -1.453 644 HD22 ASN 514 HD22 ASN 514 8.425 3.604 -2.251 645 H ALA 515 H ALA 515 3.671 2.051 -0.862 646 HA ALA 515 HA ALA 515 0.990 2.114 -2.112 647 HB1 ALA 515 HB1 ALA 515 1.247 0.003 -0.901 648 HB2 ALA 515 HB2 ALA 515 0.056 1.039 -0.115 649 HB3 ALA 515 HB3 ALA 515 1.678 0.883 0.565 650 H THR 516 H THR 516 -0.228 3.837 -1.603 651 HA THR 516 HA THR 516 0.613 5.577 0.636 652 HB THR 516 HB THR 516 -0.044 7.549 -0.771 653 HG1 THR 516 HG1 THR 516 -0.101 7.113 -3.090 654 HG21 THR 516 HG21 THR 516 1.989 7.586 -2.144 655 HG22 THR 516 HG22 THR 516 2.185 5.849 -1.914 656 HG23 THR 516 HG23 THR 516 2.322 6.943 -0.536 657 H VAL 517 H VAL 517 -1.014 6.542 1.819 658 HA VAL 517 HA VAL 517 -3.783 5.907 1.009 659 HB VAL 517 HB VAL 517 -3.181 4.586 2.954 660 HG11 VAL 517 HG11 VAL 517 -2.582 5.617 5.098 661 HG12 VAL 517 HG12 VAL 517 -2.539 7.199 4.321 662 HG13 VAL 517 HG13 VAL 517 -1.381 5.957 3.851 663 HG21 VAL 517 HG21 VAL 517 -4.964 5.284 4.489 664 HG22 VAL 517 HG22 VAL 517 -5.479 5.398 2.806 665 HG23 VAL 517 HG23 VAL 517 -5.036 6.857 3.695 666 H ASP 518 H ASP 518 -5.325 7.457 1.167 667 HA ASP 518 HA ASP 518 -6.192 9.535 0.949 668 HB2 ASP 518 HB2 ASP 518 -6.074 9.184 3.471 669 HB3 ASP 518 HB3 ASP 518 -4.668 10.247 3.454 670 H GLU 519 H GLU 519 -4.087 9.342 -0.746 671 HA GLU 519 HA GLU 519 -2.173 11.345 -0.735 672 HB2 GLU 519 HB2 GLU 519 -3.796 10.352 -3.089 673 HB3 GLU 519 HB3 GLU 519 -2.345 11.335 -3.222 674 HG2 GLU 519 HG2 GLU 519 -1.079 9.526 -2.086 675 HG3 GLU 519 HG3 GLU 519 -2.541 8.539 -2.113 676 H GLU 520 H GLU 520 -5.594 11.602 -1.162 677 HA GLU 520 HA GLU 520 -5.759 14.127 -2.414 678 HB2 GLU 520 HB2 GLU 520 -7.987 13.535 -0.584 679 HB3 GLU 520 HB3 GLU 520 -8.009 13.824 -2.314 680 HG2 GLU 520 HG2 GLU 520 -7.298 11.187 -1.023 681 HG3 GLU 520 HG3 GLU 520 -8.892 11.613 -1.628 682 H ASN 521 H ASN 521 -4.933 13.235 0.781 683 HA ASN 521 HA ASN 521 -4.538 14.339 2.719 684 HB2 ASN 521 HB2 ASN 521 -3.128 15.663 1.015 685 HB3 ASN 521 HB3 ASN 521 -4.385 16.889 1.101 686 HD21 ASN 521 HD21 ASN 521 -4.903 16.626 3.933 687 HD22 ASN 521 HD22 ASN 521 -3.519 17.245 4.754 688 H THR 522 H THR 522 -7.040 13.780 2.701 689 HA THR 522 HA THR 522 -8.767 16.120 2.760 690 HB THR 522 HB THR 522 -10.585 14.576 3.267 691 HG1 THR 522 HG1 THR 522 -8.723 12.419 3.215 692 HG21 THR 522 HG21 THR 522 -10.483 13.138 1.274 693 HG22 THR 522 HG22 THR 522 -8.757 13.470 1.122 694 HG23 THR 522 HG23 THR 522 -9.929 14.774 0.917 695 H VAL 523 H VAL 523 -7.236 13.933 5.072 696 HA VAL 523 HA VAL 523 -8.415 15.525 7.271 697 HB VAL 523 HB VAL 523 -9.270 13.229 7.240 698 HG11 VAL 523 HG11 VAL 523 -7.405 12.082 6.189 699 HG12 VAL 523 HG12 VAL 523 -7.792 11.323 7.734 700 HG13 VAL 523 HG13 VAL 523 -6.391 12.387 7.599 701 HG21 VAL 523 HG21 VAL 523 -8.816 12.673 9.569 702 HG22 VAL 523 HG22 VAL 523 -9.038 14.412 9.373 703 HG23 VAL 523 HG23 VAL 523 -7.416 13.745 9.568 704 H VAL 524 H VAL 524 -7.119 16.282 8.887 705 HA VAL 524 HA VAL 524 -4.238 16.195 8.515 706 HB VAL 524 HB VAL 524 -5.878 17.557 10.672 707 HG11 VAL 524 HG11 VAL 524 -3.560 17.148 11.360 708 HG12 VAL 524 HG12 VAL 524 -3.865 18.868 11.121 709 HG13 VAL 524 HG13 VAL 524 -2.982 17.952 9.899 710 HG21 VAL 524 HG21 VAL 524 -4.703 18.684 8.122 711 HG22 VAL 524 HG22 VAL 524 -5.502 19.622 9.383 712 HG23 VAL 524 HG23 VAL 524 -6.416 18.432 8.456 713 H GLU 525 H GLU 525 -2.970 14.677 9.458 714 HA GLU 525 HA GLU 525 -4.089 13.165 11.735 715 HB2 GLU 525 HB2 GLU 525 -2.194 12.178 9.600 716 HB3 GLU 525 HB3 GLU 525 -2.836 11.224 10.933 717 HG2 GLU 525 HG2 GLU 525 -5.150 11.832 9.979 718 HG3 GLU 525 HG3 GLU 525 -4.266 12.291 8.523 719 H LEU 526 H LEU 526 -2.268 11.842 12.869 720 HA LEU 526 HA LEU 526 -0.618 13.804 14.167 721 HB2 LEU 526 HB2 LEU 526 -0.855 10.818 14.564 722 HB3 LEU 526 HB3 LEU 526 0.071 11.887 15.602 723 HG LEU 526 HG LEU 526 -2.922 12.061 15.185 724 HD11 LEU 526 HD11 LEU 526 -1.346 10.954 17.511 725 HD12 LEU 526 HD12 LEU 526 -2.329 10.024 16.379 726 HD13 LEU 526 HD13 LEU 526 -3.096 11.181 17.465 727 HD21 LEU 526 HD21 LEU 526 -1.122 13.486 17.152 728 HD22 LEU 526 HD22 LEU 526 -2.879 13.620 17.058 729 HD23 LEU 526 HD23 LEU 526 -1.879 14.215 15.735 730 H ASN 527 H ASN 527 0.049 10.999 12.059 731 HA ASN 527 HA ASN 527 2.840 11.970 11.876 732 HB2 ASN 527 HB2 ASN 527 2.514 9.710 12.969 733 HB3 ASN 527 HB3 ASN 527 1.944 9.119 11.411 734 HD21 ASN 527 HD21 ASN 527 4.261 8.281 12.945 735 HD22 ASN 527 HD22 ASN 527 5.636 8.543 11.930 736 H GLU 528 H GLU 528 3.339 12.825 9.996 737 HA GLU 528 HA GLU 528 1.623 12.526 7.679 738 HB2 GLU 528 HB2 GLU 528 2.520 14.714 8.349 739 HB3 GLU 528 HB3 GLU 528 4.158 14.124 8.126 740 HG2 GLU 528 HG2 GLU 528 3.610 13.775 5.703 741 HG3 GLU 528 HG3 GLU 528 2.075 14.593 6.002 742 H ASN 529 H ASN 529 4.556 11.147 8.821 743 HA ASN 529 HA ASN 529 5.487 10.340 6.166 744 HB2 ASN 529 HB2 ASN 529 7.091 11.235 7.836 745 HB3 ASN 529 HB3 ASN 529 6.717 9.886 8.903 746 HD21 ASN 529 HD21 ASN 529 7.547 7.859 8.433 747 HD22 ASN 529 HD22 ASN 529 8.769 7.612 7.236 748 H ASN 530 H ASN 530 3.310 9.189 8.352 749 HA ASN 530 HA ASN 530 4.099 6.389 8.350 750 HB2 ASN 530 HB2 ASN 530 3.057 7.662 10.311 751 HB3 ASN 530 HB3 ASN 530 1.534 7.560 9.438 752 HD21 ASN 530 HD21 ASN 530 0.645 6.340 11.132 753 HD22 ASN 530 HD22 ASN 530 1.049 4.675 11.339 754 H ASN 531 H ASN 531 2.391 8.382 6.265 755 HA ASN 531 HA ASN 531 0.276 6.536 5.541 756 HB2 ASN 531 HB2 ASN 531 1.078 9.161 4.266 757 HB3 ASN 531 HB3 ASN 531 -0.432 8.291 3.998 758 HD21 ASN 531 HD21 ASN 531 -2.002 8.311 5.616 759 HD22 ASN 531 HD22 ASN 531 -1.958 9.423 6.928 760 H VAL 532 H VAL 532 3.464 6.440 4.779 761 HA VAL 532 HA VAL 532 2.966 5.481 2.023 762 HB VAL 532 HB VAL 532 5.414 7.016 2.941 763 HG11 VAL 532 HG11 VAL 532 4.682 5.962 0.202 764 HG12 VAL 532 HG12 VAL 532 5.964 5.346 1.246 765 HG13 VAL 532 HG13 VAL 532 6.078 6.973 0.576 766 HG21 VAL 532 HG21 VAL 532 3.174 7.869 1.094 767 HG22 VAL 532 HG22 VAL 532 4.632 8.799 1.446 768 HG23 VAL 532 HG23 VAL 532 3.463 8.475 2.726 769 H ALA 533 H ALA 533 3.825 3.549 1.481 770 HA ALA 533 HA ALA 533 5.905 2.363 3.222 771 HB1 ALA 533 HB1 ALA 533 3.656 0.861 1.866 772 HB2 ALA 533 HB2 ALA 533 3.743 1.240 3.586 773 HB3 ALA 533 HB3 ALA 533 4.932 0.156 2.862 774 H THR 534 H THR 534 7.608 1.309 2.197 775 HA THR 534 HA THR 534 7.642 1.371 -0.763 776 HB THR 534 HB THR 534 9.886 2.195 1.099 777 HG1 THR 534 HG1 THR 534 9.378 4.193 0.536 778 HG21 THR 534 HG21 THR 534 9.881 1.938 -1.916 779 HG22 THR 534 HG22 THR 534 10.828 0.971 -0.783 780 HG23 THR 534 HG23 THR 534 11.159 2.693 -0.965 781 H PHE 535 H PHE 535 7.957 -0.602 -1.602 782 HA PHE 535 HA PHE 535 9.687 -2.517 -0.155 783 HB2 PHE 535 HB2 PHE 535 7.235 -3.060 -0.008 784 HB3 PHE 535 HB3 PHE 535 7.212 -3.222 -1.759 785 HD1 PHE 535 HD1 PHE 535 8.814 -4.584 1.308 786 HD2 PHE 535 HD2 PHE 535 7.728 -5.282 -2.754 787 HE1 PHE 535 HE1 PHE 535 9.454 -6.950 1.544 788 HE2 PHE 535 HE2 PHE 535 8.366 -7.645 -2.521 789 HZ PHE 535 HZ PHE 535 9.229 -8.482 -0.370 790 H ASP 536 H ASP 536 11.389 -3.205 -1.326 791 HA ASP 536 HA ASP 536 11.524 -2.490 -4.163 792 HB2 ASP 536 HB2 ASP 536 13.709 -3.466 -2.307 793 HB3 ASP 536 HB3 ASP 536 13.936 -2.827 -3.931 794 H VAL 537 H VAL 537 11.177 -3.977 -5.708 795 HA VAL 537 HA VAL 537 11.524 -6.839 -5.050 796 HB VAL 537 HB VAL 537 9.724 -5.629 -7.163 797 HG11 VAL 537 HG11 VAL 537 10.502 -7.868 -7.765 798 HG12 VAL 537 HG12 VAL 537 8.784 -7.888 -7.369 799 HG13 VAL 537 HG13 VAL 537 9.964 -8.488 -6.203 800 HG21 VAL 537 HG21 VAL 537 9.019 -6.809 -4.471 801 HG22 VAL 537 HG22 VAL 537 7.866 -6.289 -5.702 802 HG23 VAL 537 HG23 VAL 537 8.918 -5.107 -4.924 803 H SER 538 H SER 538 12.691 -8.159 -6.382 804 HA SER 538 HA SER 538 14.082 -6.912 -8.679 805 HB2 SER 538 HB2 SER 538 15.657 -7.533 -6.922 806 HB3 SER 538 HB3 SER 538 14.997 -9.167 -6.867 807 HG SER 538 HG SER 538 16.413 -9.626 -8.340 808 H VAL 539 H VAL 539 13.311 -7.592 -10.581 809 HA VAL 539 HA VAL 539 12.105 -10.265 -10.806 810 HB VAL 539 HB VAL 539 12.040 -7.999 -12.814 811 HG11 VAL 539 HG11 VAL 539 10.456 -10.570 -12.664 812 HG12 VAL 539 HG12 VAL 539 11.717 -10.187 -13.836 813 HG13 VAL 539 HG13 VAL 539 10.204 -9.280 -13.840 814 HG21 VAL 539 HG21 VAL 539 10.903 -7.345 -10.758 815 HG22 VAL 539 HG22 VAL 539 9.955 -8.833 -10.788 816 HG23 VAL 539 HG23 VAL 539 9.733 -7.620 -12.049 817 H VAL 540 H VAL 540 13.235 -11.876 -11.691 818 HA VAL 540 HA VAL 540 15.556 -11.217 -13.406 819 HB VAL 540 HB VAL 540 16.615 -13.309 -12.485 820 HG11 VAL 540 HG11 VAL 540 17.295 -11.095 -11.717 821 HG12 VAL 540 HG12 VAL 540 17.335 -12.250 -10.385 822 HG13 VAL 540 HG13 VAL 540 16.004 -11.099 -10.513 823 HG21 VAL 540 HG21 VAL 540 15.774 -14.172 -10.343 824 HG22 VAL 540 HG22 VAL 540 14.592 -14.391 -11.633 825 HG23 VAL 540 HG23 VAL 540 14.381 -13.095 -10.454 826 H LEU 541 H LEU 541 16.290 -13.050 -14.811 827 HA LEU 541 HA LEU 541 14.054 -13.998 -16.360 828 HB2 LEU 541 HB2 LEU 541 17.033 -14.370 -16.689 829 HB3 LEU 541 HB3 LEU 541 15.841 -14.951 -17.840 830 HG LEU 541 HG LEU 541 16.273 -12.048 -17.105 831 HD11 LEU 541 HD11 LEU 541 17.239 -11.821 -19.330 832 HD12 LEU 541 HD12 LEU 541 17.051 -13.554 -19.605 833 HD13 LEU 541 HD13 LEU 541 18.159 -12.973 -18.361 834 HD21 LEU 541 HD21 LEU 541 13.968 -12.508 -17.745 835 HD22 LEU 541 HD22 LEU 541 14.519 -13.322 -19.210 836 HD23 LEU 541 HD23 LEU 541 14.789 -11.590 -19.007 837 H GLU 542 H GLU 542 16.319 -15.442 -14.108 838 HA GLU 542 HA GLU 542 16.016 -18.137 -14.772 839 HB2 GLU 542 HB2 GLU 542 16.642 -18.580 -12.356 840 HB3 GLU 542 HB3 GLU 542 17.760 -17.590 -13.282 841 HG2 GLU 542 HG2 GLU 542 16.877 -15.579 -12.232 842 HG3 GLU 542 HG3 GLU 542 15.710 -16.547 -11.333 Start of MODEL 2 1 H1 MET 435 H1 MET 435 -9.226 15.800 21.653 2 H2 MET 435 H2 MET 435 -9.099 17.482 21.576 3 H3 MET 435 H3 MET 435 -7.706 16.540 21.743 4 HA MET 435 HA MET 435 -9.519 16.594 19.399 5 HB2 MET 435 HB2 MET 435 -6.720 17.670 19.805 6 HB3 MET 435 HB3 MET 435 -7.472 17.495 18.227 7 HG2 MET 435 HG2 MET 435 -9.255 19.041 18.932 8 HG3 MET 435 HG3 MET 435 -8.431 19.257 20.476 9 HE1 MET 435 HE1 MET 435 -5.053 20.933 19.326 10 HE2 MET 435 HE2 MET 435 -5.343 19.203 19.493 11 HE3 MET 435 HE3 MET 435 -5.980 20.322 20.697 12 H GLU 436 H GLU 436 -9.730 14.487 18.861 13 HA GLU 436 HA GLU 436 -7.446 12.682 18.975 14 HB2 GLU 436 HB2 GLU 436 -10.309 12.204 18.089 15 HB3 GLU 436 HB3 GLU 436 -9.070 10.963 18.181 16 HG2 GLU 436 HG2 GLU 436 -10.422 10.755 20.113 17 HG3 GLU 436 HG3 GLU 436 -8.883 11.439 20.632 18 H PHE 437 H PHE 437 -6.075 12.493 17.322 19 HA PHE 437 HA PHE 437 -7.050 13.101 14.602 20 HB2 PHE 437 HB2 PHE 437 -4.232 13.288 15.704 21 HB3 PHE 437 HB3 PHE 437 -4.677 13.570 14.025 22 HD1 PHE 437 HD1 PHE 437 -6.367 15.445 13.552 23 HD2 PHE 437 HD2 PHE 437 -4.285 15.039 17.248 24 HE1 PHE 437 HE1 PHE 437 -6.820 17.808 14.064 25 HE2 PHE 437 HE2 PHE 437 -4.739 17.401 17.766 26 HZ PHE 437 HZ PHE 437 -6.006 18.789 16.175 27 HA PRO 438 HA PRO 438 -6.420 8.795 13.768 28 HB2 PRO 438 HB2 PRO 438 -6.643 8.850 11.068 29 HB3 PRO 438 HB3 PRO 438 -8.030 9.058 12.144 30 HG2 PRO 438 HG2 PRO 438 -6.424 11.133 10.700 31 HG3 PRO 438 HG3 PRO 438 -8.182 11.020 10.903 32 HD2 PRO 438 HD2 PRO 438 -6.611 12.658 12.414 33 HD3 PRO 438 HD3 PRO 438 -8.125 11.943 13.012 34 H ASP 439 H ASP 439 -5.068 7.397 12.244 35 HA ASP 439 HA ASP 439 -2.659 8.616 11.199 36 HB2 ASP 439 HB2 ASP 439 -2.234 8.127 13.667 37 HB3 ASP 439 HB3 ASP 439 -2.373 6.420 13.265 38 H LEU 440 H LEU 440 -3.577 7.873 9.241 39 HA LEU 440 HA LEU 440 -4.104 5.052 8.854 40 HB2 LEU 440 HB2 LEU 440 -4.083 7.326 6.859 41 HB3 LEU 440 HB3 LEU 440 -4.675 5.704 6.552 42 HG LEU 440 HG LEU 440 -5.877 7.626 8.556 43 HD11 LEU 440 HD11 LEU 440 -6.207 8.412 6.278 44 HD12 LEU 440 HD12 LEU 440 -7.722 7.831 6.966 45 HD13 LEU 440 HD13 LEU 440 -6.841 6.835 5.806 46 HD21 LEU 440 HD21 LEU 440 -7.720 6.015 8.652 47 HD22 LEU 440 HD22 LEU 440 -6.199 5.295 9.183 48 HD23 LEU 440 HD23 LEU 440 -6.833 4.937 7.576 49 H THR 441 H THR 441 -2.254 3.873 8.939 50 HA THR 441 HA THR 441 -0.125 4.567 7.007 51 HB THR 441 HB THR 441 0.766 4.685 9.246 52 HG1 THR 441 HG1 THR 441 2.495 3.346 8.923 53 HG21 THR 441 HG21 THR 441 0.785 2.781 10.769 54 HG22 THR 441 HG22 THR 441 -0.155 1.829 9.618 55 HG23 THR 441 HG23 THR 441 -0.872 3.246 10.385 56 H VAL 442 H VAL 442 0.846 2.876 5.832 57 HA VAL 442 HA VAL 442 -0.805 0.433 5.627 58 HB VAL 442 HB VAL 442 -0.430 0.437 3.201 59 HG11 VAL 442 HG11 VAL 442 -2.417 1.586 4.124 60 HG12 VAL 442 HG12 VAL 442 -1.874 2.298 2.605 61 HG13 VAL 442 HG13 VAL 442 -1.516 3.102 4.133 62 HG21 VAL 442 HG21 VAL 442 1.720 1.554 3.103 63 HG22 VAL 442 HG22 VAL 442 0.999 3.057 3.680 64 HG23 VAL 442 HG23 VAL 442 0.558 2.417 2.096 65 H GLU 443 H GLU 443 0.265 -1.515 5.142 66 HA GLU 443 HA GLU 443 3.219 -1.448 5.135 67 HB2 GLU 443 HB2 GLU 443 1.428 -3.312 6.716 68 HB3 GLU 443 HB3 GLU 443 3.154 -3.565 6.502 69 HG2 GLU 443 HG2 GLU 443 3.596 -1.425 7.633 70 HG3 GLU 443 HG3 GLU 443 1.865 -1.211 7.882 71 H ILE 444 H ILE 444 3.960 -2.294 3.280 72 HA ILE 444 HA ILE 444 2.381 -4.294 1.826 73 HB ILE 444 HB ILE 444 5.011 -3.018 1.018 74 HG12 ILE 444 HG12 ILE 444 2.189 -2.288 0.168 75 HG13 ILE 444 HG13 ILE 444 3.209 -1.333 1.240 76 HG21 ILE 444 HG21 ILE 444 2.995 -4.607 -0.582 77 HG22 ILE 444 HG22 ILE 444 4.597 -5.151 -0.088 78 HG23 ILE 444 HG23 ILE 444 4.434 -3.825 -1.237 79 HD11 ILE 444 HD11 ILE 444 3.220 -0.403 -0.987 80 HD12 ILE 444 HD12 ILE 444 3.750 -1.945 -1.659 81 HD13 ILE 444 HD13 ILE 444 4.818 -1.033 -0.592 82 H LYS 445 H LYS 445 2.898 -6.431 1.760 83 HA LYS 445 HA LYS 445 5.525 -7.318 2.724 84 HB2 LYS 445 HB2 LYS 445 3.634 -7.162 4.552 85 HB3 LYS 445 HB3 LYS 445 3.071 -8.658 3.822 86 HG2 LYS 445 HG2 LYS 445 5.141 -9.762 4.342 87 HG3 LYS 445 HG3 LYS 445 5.863 -8.244 4.884 88 HD2 LYS 445 HD2 LYS 445 4.050 -8.138 6.643 89 HD3 LYS 445 HD3 LYS 445 3.613 -9.785 6.182 90 HE2 LYS 445 HE2 LYS 445 5.875 -10.538 6.744 91 HE3 LYS 445 HE3 LYS 445 6.312 -8.892 7.203 92 HZ1 LYS 445 HZ1 LYS 445 5.775 -10.139 9.151 93 HZ2 LYS 445 HZ2 LYS 445 4.284 -10.619 8.511 94 HZ3 LYS 445 HZ3 LYS 445 4.554 -8.997 8.906 95 H GLY 446 H GLY 446 6.200 -9.326 1.904 96 HA2 GLY 446 HA2 GLY 446 4.888 -11.417 0.843 97 HA3 GLY 446 HA3 GLY 446 4.749 -10.239 -0.451 98 HA PRO 447 HA PRO 447 8.705 -12.582 -1.189 99 HB2 PRO 447 HB2 PRO 447 8.355 -12.928 -3.850 100 HB3 PRO 447 HB3 PRO 447 7.618 -14.000 -2.652 101 HG2 PRO 447 HG2 PRO 447 6.390 -11.689 -4.127 102 HG3 PRO 447 HG3 PRO 447 5.722 -13.308 -3.836 103 HD2 PRO 447 HD2 PRO 447 5.023 -11.151 -2.343 104 HD3 PRO 447 HD3 PRO 447 5.094 -12.794 -1.670 105 H ASP 448 H ASP 448 10.601 -11.575 -1.644 106 HA ASP 448 HA ASP 448 10.481 -8.865 -2.731 107 HB2 ASP 448 HB2 ASP 448 12.791 -8.657 -1.863 108 HB3 ASP 448 HB3 ASP 448 11.641 -9.145 -0.623 109 H VAL 449 H VAL 449 11.495 -12.011 -3.752 110 HA VAL 449 HA VAL 449 12.646 -10.810 -6.199 111 HB VAL 449 HB VAL 449 13.635 -13.318 -4.808 112 HG11 VAL 449 HG11 VAL 449 13.697 -13.605 -7.229 113 HG12 VAL 449 HG12 VAL 449 15.331 -13.422 -6.592 114 HG13 VAL 449 HG13 VAL 449 14.545 -12.069 -7.410 115 HG21 VAL 449 HG21 VAL 449 15.022 -10.675 -5.307 116 HG22 VAL 449 HG22 VAL 449 15.728 -12.090 -4.522 117 HG23 VAL 449 HG23 VAL 449 14.395 -11.229 -3.755 118 H VAL 450 H VAL 450 11.643 -11.391 -8.015 119 HA VAL 450 HA VAL 450 10.246 -13.982 -8.159 120 HB VAL 450 HB VAL 450 8.337 -12.942 -9.334 121 HG11 VAL 450 HG11 VAL 450 8.121 -13.369 -6.955 122 HG12 VAL 450 HG12 VAL 450 7.275 -11.881 -7.377 123 HG13 VAL 450 HG13 VAL 450 8.846 -11.805 -6.579 124 HG21 VAL 450 HG21 VAL 450 9.622 -10.314 -8.569 125 HG22 VAL 450 HG22 VAL 450 8.022 -10.508 -9.287 126 HG23 VAL 450 HG23 VAL 450 9.461 -10.955 -10.205 127 H GLY 451 H GLY 451 9.793 -14.684 -10.389 128 HA2 GLY 451 HA2 GLY 451 11.899 -13.811 -12.235 129 HA3 GLY 451 HA3 GLY 451 10.939 -15.274 -12.372 130 H VAL 452 H VAL 452 11.366 -13.703 -14.586 131 HA VAL 452 HA VAL 452 9.283 -11.818 -15.042 132 HB VAL 452 HB VAL 452 11.413 -11.852 -16.319 133 HG11 VAL 452 HG11 VAL 452 11.653 -14.257 -16.633 134 HG12 VAL 452 HG12 VAL 452 11.694 -13.420 -18.184 135 HG13 VAL 452 HG13 VAL 452 10.237 -14.277 -17.685 136 HG21 VAL 452 HG21 VAL 452 10.441 -11.306 -18.503 137 HG22 VAL 452 HG22 VAL 452 9.496 -10.619 -17.180 138 HG23 VAL 452 HG23 VAL 452 8.924 -12.062 -18.017 139 H ASN 453 H ASN 453 7.308 -12.031 -16.015 140 HA ASN 453 HA ASN 453 5.332 -12.960 -16.604 141 HB2 ASN 453 HB2 ASN 453 7.144 -15.110 -17.708 142 HB3 ASN 453 HB3 ASN 453 5.395 -15.121 -17.929 143 HD21 ASN 453 HD21 ASN 453 8.377 -13.605 -18.814 144 HD22 ASN 453 HD22 ASN 453 7.733 -12.656 -20.104 145 H LYS 454 H LYS 454 6.810 -13.766 -14.005 146 HA LYS 454 HA LYS 454 5.220 -16.121 -13.284 147 HB2 LYS 454 HB2 LYS 454 7.304 -14.545 -11.752 148 HB3 LYS 454 HB3 LYS 454 6.416 -15.903 -11.076 149 HG2 LYS 454 HG2 LYS 454 8.249 -16.022 -13.469 150 HG3 LYS 454 HG3 LYS 454 8.652 -16.549 -11.834 151 HD2 LYS 454 HD2 LYS 454 6.515 -17.713 -13.629 152 HD3 LYS 454 HD3 LYS 454 8.055 -18.459 -13.203 153 HE2 LYS 454 HE2 LYS 454 7.340 -18.461 -10.818 154 HE3 LYS 454 HE3 LYS 454 5.766 -17.840 -11.323 155 HZ1 LYS 454 HZ1 LYS 454 5.411 -19.831 -12.610 156 HZ2 LYS 454 HZ2 LYS 454 5.769 -20.255 -11.012 157 HZ3 LYS 454 HZ3 LYS 454 6.946 -20.420 -12.215 158 H LEU 455 H LEU 455 3.709 -16.093 -11.553 159 HA LEU 455 HA LEU 455 2.425 -13.483 -11.172 160 HB2 LEU 455 HB2 LEU 455 1.092 -15.427 -11.976 161 HB3 LEU 455 HB3 LEU 455 1.416 -16.242 -10.457 162 HG LEU 455 HG LEU 455 0.207 -14.459 -9.246 163 HD11 LEU 455 HD11 LEU 455 -1.117 -12.824 -10.502 164 HD12 LEU 455 HD12 LEU 455 -0.374 -13.382 -12.001 165 HD13 LEU 455 HD13 LEU 455 0.615 -12.611 -10.759 166 HD21 LEU 455 HD21 LEU 455 -1.384 -15.709 -11.486 167 HD22 LEU 455 HD22 LEU 455 -2.044 -15.053 -9.987 168 HD23 LEU 455 HD23 LEU 455 -0.992 -16.468 -9.942 169 H ALA 456 H ALA 456 2.832 -12.367 -9.360 170 HA ALA 456 HA ALA 456 3.610 -13.854 -6.925 171 HB1 ALA 456 HB1 ALA 456 4.349 -11.035 -7.719 172 HB2 ALA 456 HB2 ALA 456 5.404 -12.446 -7.789 173 HB3 ALA 456 HB3 ALA 456 4.833 -11.849 -6.230 174 H GLU 457 H GLU 457 2.467 -13.587 -5.092 175 HA GLU 457 HA GLU 457 0.244 -11.643 -5.099 176 HB2 GLU 457 HB2 GLU 457 0.568 -14.366 -3.868 177 HB3 GLU 457 HB3 GLU 457 -0.568 -13.222 -3.161 178 HG2 GLU 457 HG2 GLU 457 -1.829 -13.106 -5.179 179 HG3 GLU 457 HG3 GLU 457 -0.618 -14.038 -6.064 180 H TYR 458 H TYR 458 0.187 -10.052 -3.638 181 HA TYR 458 HA TYR 458 2.101 -10.124 -1.380 182 HB2 TYR 458 HB2 TYR 458 1.297 -7.756 -3.093 183 HB3 TYR 458 HB3 TYR 458 2.243 -7.629 -1.617 184 HD1 TYR 458 HD1 TYR 458 2.270 -8.982 -5.075 185 HD2 TYR 458 HD2 TYR 458 4.585 -8.030 -1.627 186 HE1 TYR 458 HE1 TYR 458 4.333 -9.322 -6.370 187 HE2 TYR 458 HE2 TYR 458 6.649 -8.369 -2.916 188 HH TYR 458 HH TYR 458 7.441 -9.455 -4.865 189 H GLU 459 H GLU 459 1.513 -8.614 0.406 190 HA GLU 459 HA GLU 459 -1.414 -8.444 0.792 191 HB2 GLU 459 HB2 GLU 459 0.763 -9.111 2.783 192 HB3 GLU 459 HB3 GLU 459 -0.866 -8.664 3.266 193 HG2 GLU 459 HG2 GLU 459 -1.772 -10.600 2.128 194 HG3 GLU 459 HG3 GLU 459 -0.167 -11.028 1.532 195 H VAL 460 H VAL 460 -2.165 -6.443 1.093 196 HA VAL 460 HA VAL 460 -0.351 -4.338 2.069 197 HB VAL 460 HB VAL 460 -3.111 -3.981 0.867 198 HG11 VAL 460 HG11 VAL 460 -2.409 -2.131 2.280 199 HG12 VAL 460 HG12 VAL 460 -2.411 -1.639 0.588 200 HG13 VAL 460 HG13 VAL 460 -0.887 -2.004 1.398 201 HG21 VAL 460 HG21 VAL 460 -1.973 -3.284 -1.195 202 HG22 VAL 460 HG22 VAL 460 -1.649 -4.972 -0.804 203 HG23 VAL 460 HG23 VAL 460 -0.420 -3.742 -0.493 204 H HIS 461 H HIS 461 -0.441 -4.092 4.219 205 HA HIS 461 HA HIS 461 -2.962 -4.565 5.649 206 HB2 HIS 461 HB2 HIS 461 -0.119 -4.230 6.644 207 HB3 HIS 461 HB3 HIS 461 -1.512 -4.408 7.705 208 HD1 HIS 461 HD1 HIS 461 -1.895 -6.731 8.456 209 HD2 HIS 461 HD2 HIS 461 0.040 -6.617 4.777 210 HE1 HIS 461 HE1 HIS 461 -1.450 -9.125 7.856 211 HE2 HIS 461 HE2 HIS 461 -0.392 -9.043 5.579 212 H VAL 462 H VAL 462 -4.230 -2.805 5.689 213 HA VAL 462 HA VAL 462 -2.995 -0.154 6.041 214 HB VAL 462 HB VAL 462 -5.000 0.826 5.089 215 HG11 VAL 462 HG11 VAL 462 -3.254 0.082 3.548 216 HG12 VAL 462 HG12 VAL 462 -4.848 -0.041 2.808 217 HG13 VAL 462 HG13 VAL 462 -4.037 -1.489 3.402 218 HG21 VAL 462 HG21 VAL 462 -6.844 -0.533 4.199 219 HG22 VAL 462 HG22 VAL 462 -6.688 -0.729 5.944 220 HG23 VAL 462 HG23 VAL 462 -6.094 -1.987 4.858 221 H LYS 463 H LYS 463 -3.293 0.895 7.903 222 HA LYS 463 HA LYS 463 -5.369 -0.025 9.766 223 HB2 LYS 463 HB2 LYS 463 -3.523 -0.043 11.554 224 HB3 LYS 463 HB3 LYS 463 -3.620 -1.408 10.448 225 HG2 LYS 463 HG2 LYS 463 -1.768 -0.657 9.191 226 HG3 LYS 463 HG3 LYS 463 -1.799 0.929 9.954 227 HD2 LYS 463 HD2 LYS 463 0.025 -0.345 10.879 228 HD3 LYS 463 HD3 LYS 463 -1.225 -0.154 12.107 229 HE2 LYS 463 HE2 LYS 463 -1.955 -2.380 11.864 230 HE3 LYS 463 HE3 LYS 463 -1.063 -2.585 10.359 231 HZ1 LYS 463 HZ1 LYS 463 0.039 -3.693 12.180 232 HZ2 LYS 463 HZ2 LYS 463 0.141 -2.246 13.049 233 HZ3 LYS 463 HZ3 LYS 463 0.999 -2.427 11.603 234 H ASN 464 H ASN 464 -6.102 1.464 11.196 235 HA ASN 464 HA ASN 464 -4.933 4.171 11.102 236 HB2 ASN 464 HB2 ASN 464 -7.382 3.849 10.624 237 HB3 ASN 464 HB3 ASN 464 -7.583 3.253 12.266 238 HD21 ASN 464 HD21 ASN 464 -8.774 5.540 10.939 239 HD22 ASN 464 HD22 ASN 464 -8.385 6.911 11.908 240 H LEU 465 H LEU 465 -3.766 4.878 12.837 241 HA LEU 465 HA LEU 465 -3.845 3.216 15.285 242 HB2 LEU 465 HB2 LEU 465 -1.567 4.913 14.249 243 HB3 LEU 465 HB3 LEU 465 -1.521 3.866 15.657 244 HG LEU 465 HG LEU 465 -1.804 2.972 12.776 245 HD11 LEU 465 HD11 LEU 465 0.442 3.715 13.298 246 HD12 LEU 465 HD12 LEU 465 0.402 1.961 13.116 247 HD13 LEU 465 HD13 LEU 465 0.478 2.679 14.727 248 HD21 LEU 465 HD21 LEU 465 -1.650 1.306 15.291 249 HD22 LEU 465 HD22 LEU 465 -1.630 0.689 13.636 250 HD23 LEU 465 HD23 LEU 465 -3.067 1.502 14.258 251 H GLY 466 H GLY 466 -4.957 6.108 14.227 252 HA2 GLY 466 HA2 GLY 466 -4.171 7.767 16.475 253 HA3 GLY 466 HA3 GLY 466 -5.260 8.216 15.177 254 H GLY 467 H GLY 467 -6.823 5.648 15.763 255 HA2 GLY 467 HA2 GLY 467 -8.374 4.852 17.336 256 HA3 GLY 467 HA3 GLY 467 -7.927 6.163 18.412 257 H ILE 468 H ILE 468 -8.710 7.023 15.174 258 HA ILE 468 HA ILE 468 -11.541 7.493 15.808 259 HB ILE 468 HB ILE 468 -10.656 9.633 16.265 260 HG12 ILE 468 HG12 ILE 468 -11.643 9.661 13.397 261 HG13 ILE 468 HG13 ILE 468 -12.649 9.720 14.840 262 HG21 ILE 468 HG21 ILE 468 -9.117 10.844 14.823 263 HG22 ILE 468 HG22 ILE 468 -9.079 9.485 13.701 264 HG23 ILE 468 HG23 ILE 468 -8.428 9.301 15.331 265 HD11 ILE 468 HD11 ILE 468 -10.692 11.827 13.945 266 HD12 ILE 468 HD12 ILE 468 -11.658 11.889 15.419 267 HD13 ILE 468 HD13 ILE 468 -12.450 11.912 13.843 268 H GLY 469 H GLY 469 -12.922 7.110 14.142 269 HA2 GLY 469 HA2 GLY 469 -11.946 5.564 11.963 270 HA3 GLY 469 HA3 GLY 469 -13.610 6.028 12.236 271 H VAL 470 H VAL 470 -11.788 5.932 9.817 272 HA VAL 470 HA VAL 470 -12.469 8.604 8.760 273 HB VAL 470 HB VAL 470 -9.928 7.067 8.139 274 HG11 VAL 470 HG11 VAL 470 -10.874 9.760 7.140 275 HG12 VAL 470 HG12 VAL 470 -10.726 8.283 6.187 276 HG13 VAL 470 HG13 VAL 470 -9.283 9.059 6.840 277 HG21 VAL 470 HG21 VAL 470 -10.308 9.643 9.674 278 HG22 VAL 470 HG22 VAL 470 -8.757 8.917 9.249 279 HG23 VAL 470 HG23 VAL 470 -9.848 8.084 10.357 280 HA PRO 471 HA PRO 471 -14.302 5.843 5.606 281 HB2 PRO 471 HB2 PRO 471 -16.006 7.635 4.562 282 HB3 PRO 471 HB3 PRO 471 -16.303 6.898 6.142 283 HG2 PRO 471 HG2 PRO 471 -15.160 9.595 5.497 284 HG3 PRO 471 HG3 PRO 471 -16.374 9.158 6.713 285 HD2 PRO 471 HD2 PRO 471 -13.716 9.543 7.282 286 HD3 PRO 471 HD3 PRO 471 -14.788 8.498 8.238 287 H SER 472 H SER 472 -12.421 8.653 5.305 288 HA SER 472 HA SER 472 -12.527 8.959 2.437 289 HB2 SER 472 HB2 SER 472 -10.719 10.281 4.471 290 HB3 SER 472 HB3 SER 472 -10.871 10.746 2.777 291 HG SER 472 HG SER 472 -12.235 11.738 4.683 292 H THR 473 H THR 473 -11.347 6.411 3.736 293 HA THR 473 HA THR 473 -8.480 6.727 3.345 294 HB THR 473 HB THR 473 -10.060 4.318 4.303 295 HG1 THR 473 HG1 THR 473 -8.699 6.372 5.741 296 HG21 THR 473 HG21 THR 473 -7.931 3.491 5.169 297 HG22 THR 473 HG22 THR 473 -7.097 4.894 4.502 298 HG23 THR 473 HG23 THR 473 -7.840 3.714 3.422 299 H LYS 474 H LYS 474 -8.304 6.896 1.125 300 HA LYS 474 HA LYS 474 -9.012 4.619 -0.574 301 HB2 LYS 474 HB2 LYS 474 -7.600 7.187 -1.347 302 HB3 LYS 474 HB3 LYS 474 -8.374 6.036 -2.429 303 HG2 LYS 474 HG2 LYS 474 -10.554 6.632 -1.574 304 HG3 LYS 474 HG3 LYS 474 -9.825 7.687 -0.361 305 HD2 LYS 474 HD2 LYS 474 -8.863 9.054 -2.218 306 HD3 LYS 474 HD3 LYS 474 -9.752 8.052 -3.364 307 HE2 LYS 474 HE2 LYS 474 -11.867 8.746 -2.335 308 HE3 LYS 474 HE3 LYS 474 -10.984 9.734 -1.172 309 HZ1 LYS 474 HZ1 LYS 474 -11.784 11.120 -2.932 310 HZ2 LYS 474 HZ2 LYS 474 -11.092 10.125 -4.114 311 HZ3 LYS 474 HZ3 LYS 474 -10.101 11.016 -3.074 312 H VAL 475 H VAL 475 -7.569 3.017 -0.936 313 HA VAL 475 HA VAL 475 -4.743 3.468 -0.220 314 HB VAL 475 HB VAL 475 -6.196 0.831 -0.562 315 HG11 VAL 475 HG11 VAL 475 -3.484 1.471 0.614 316 HG12 VAL 475 HG12 VAL 475 -3.790 0.652 -0.919 317 HG13 VAL 475 HG13 VAL 475 -4.247 -0.119 0.599 318 HG21 VAL 475 HG21 VAL 475 -5.523 2.335 1.976 319 HG22 VAL 475 HG22 VAL 475 -6.207 0.712 1.893 320 HG23 VAL 475 HG23 VAL 475 -7.138 2.092 1.307 321 H ARG 476 H ARG 476 -3.341 3.706 -1.849 322 HA ARG 476 HA ARG 476 -4.007 2.545 -4.486 323 HB2 ARG 476 HB2 ARG 476 -2.455 5.072 -3.858 324 HB3 ARG 476 HB3 ARG 476 -2.754 4.435 -5.473 325 HG2 ARG 476 HG2 ARG 476 -5.124 4.791 -5.238 326 HG3 ARG 476 HG3 ARG 476 -4.928 5.262 -3.551 327 HD2 ARG 476 HD2 ARG 476 -3.648 7.230 -4.240 328 HD3 ARG 476 HD3 ARG 476 -3.808 6.750 -5.932 329 HE ARG 476 HE ARG 476 -6.351 6.905 -5.278 330 HH11 ARG 476 HH11 ARG 476 -3.810 9.093 -4.475 331 HH12 ARG 476 HH12 ARG 476 -4.875 10.453 -4.389 332 HH21 ARG 476 HH21 ARG 476 -7.687 8.640 -5.173 333 HH22 ARG 476 HH22 ARG 476 -7.060 10.196 -4.752 334 H VAL 477 H VAL 477 -2.381 1.507 -5.663 335 HA VAL 477 HA VAL 477 0.177 1.060 -4.243 336 HB VAL 477 HB VAL 477 -1.342 -0.890 -6.003 337 HG11 VAL 477 HG11 VAL 477 1.073 -1.148 -6.267 338 HG12 VAL 477 HG12 VAL 477 0.393 -2.516 -5.388 339 HG13 VAL 477 HG13 VAL 477 1.268 -1.256 -4.517 340 HG21 VAL 477 HG21 VAL 477 -0.812 -0.951 -3.024 341 HG22 VAL 477 HG22 VAL 477 -1.624 -2.209 -3.955 342 HG23 VAL 477 HG23 VAL 477 -2.363 -0.617 -3.795 343 H TYR 478 H TYR 478 1.884 1.830 -5.292 344 HA TYR 478 HA TYR 478 1.770 2.160 -8.227 345 HB2 TYR 478 HB2 TYR 478 3.272 3.807 -6.172 346 HB3 TYR 478 HB3 TYR 478 3.389 4.026 -7.914 347 HD1 TYR 478 HD1 TYR 478 1.254 4.495 -4.952 348 HD2 TYR 478 HD2 TYR 478 1.588 5.073 -9.161 349 HE1 TYR 478 HE1 TYR 478 -0.658 6.043 -4.892 350 HE2 TYR 478 HE2 TYR 478 -0.315 6.623 -9.104 351 HH TYR 478 HH TYR 478 -1.586 7.881 -6.206 352 H ILE 479 H ILE 479 3.373 1.291 -9.435 353 HA ILE 479 HA ILE 479 5.687 0.071 -8.062 354 HB ILE 479 HB ILE 479 4.526 -0.625 -10.779 355 HG12 ILE 479 HG12 ILE 479 4.393 -2.151 -8.157 356 HG13 ILE 479 HG13 ILE 479 3.052 -1.275 -8.886 357 HG21 ILE 479 HG21 ILE 479 6.939 -1.021 -10.649 358 HG22 ILE 479 HG22 ILE 479 6.055 -2.547 -10.708 359 HG23 ILE 479 HG23 ILE 479 6.714 -1.967 -9.178 360 HD11 ILE 479 HD11 ILE 479 3.130 -2.796 -10.811 361 HD12 ILE 479 HD12 ILE 479 2.849 -3.647 -9.292 362 HD13 ILE 479 HD13 ILE 479 4.444 -3.684 -10.038 363 H ASN 480 H ASN 480 7.410 1.406 -8.195 364 HA ASN 480 HA ASN 480 8.859 3.014 -8.902 365 HB2 ASN 480 HB2 ASN 480 8.227 1.700 -11.553 366 HB3 ASN 480 HB3 ASN 480 9.447 2.957 -11.381 367 HD21 ASN 480 HD21 ASN 480 9.831 0.237 -12.227 368 HD22 ASN 480 HD22 ASN 480 10.948 -0.465 -11.113 369 H GLY 481 H GLY 481 6.142 3.823 -8.544 370 HA2 GLY 481 HA2 GLY 481 5.242 6.002 -8.708 371 HA3 GLY 481 HA3 GLY 481 6.156 6.256 -10.185 372 H THR 482 H THR 482 5.060 3.502 -11.079 373 HA THR 482 HA THR 482 2.806 4.618 -12.519 374 HB THR 482 HB THR 482 3.932 1.804 -12.632 375 HG1 THR 482 HG1 THR 482 5.482 2.659 -13.776 376 HG21 THR 482 HG21 THR 482 2.824 1.694 -14.827 377 HG22 THR 482 HG22 THR 482 2.142 3.300 -14.563 378 HG23 THR 482 HG23 THR 482 1.655 1.953 -13.533 379 H LEU 483 H LEU 483 0.727 4.502 -11.850 380 HA LEU 483 HA LEU 483 -0.102 3.071 -9.562 381 HB2 LEU 483 HB2 LEU 483 -1.264 5.076 -10.352 382 HB3 LEU 483 HB3 LEU 483 -1.768 4.230 -11.802 383 HG LEU 483 HG LEU 483 -3.112 2.677 -10.398 384 HD11 LEU 483 HD11 LEU 483 -2.364 4.532 -8.138 385 HD12 LEU 483 HD12 LEU 483 -1.854 2.854 -8.319 386 HD13 LEU 483 HD13 LEU 483 -3.556 3.233 -8.064 387 HD21 LEU 483 HD21 LEU 483 -3.756 5.607 -10.053 388 HD22 LEU 483 HD22 LEU 483 -4.895 4.273 -9.862 389 HD23 LEU 483 HD23 LEU 483 -4.177 4.600 -11.438 390 H TYR 484 H TYR 484 -0.447 0.975 -9.330 391 HA TYR 484 HA TYR 484 -1.110 -0.681 -11.668 392 HB2 TYR 484 HB2 TYR 484 0.807 -1.523 -10.563 393 HB3 TYR 484 HB3 TYR 484 0.089 -1.305 -8.970 394 HD1 TYR 484 HD1 TYR 484 -0.132 -3.347 -12.075 395 HD2 TYR 484 HD2 TYR 484 -1.151 -3.038 -7.949 396 HE1 TYR 484 HE1 TYR 484 -0.925 -5.674 -12.103 397 HE2 TYR 484 HE2 TYR 484 -1.949 -5.366 -7.972 398 HH TYR 484 HH TYR 484 -1.328 -7.508 -10.551 399 H LYS 485 H LYS 485 -2.218 0.006 -8.359 400 HA LYS 485 HA LYS 485 -4.865 -1.069 -9.006 401 HB2 LYS 485 HB2 LYS 485 -3.596 -2.995 -8.121 402 HB3 LYS 485 HB3 LYS 485 -3.199 -2.076 -6.679 403 HG2 LYS 485 HG2 LYS 485 -4.940 -3.526 -6.061 404 HG3 LYS 485 HG3 LYS 485 -5.681 -1.936 -6.223 405 HD2 LYS 485 HD2 LYS 485 -7.140 -3.562 -7.225 406 HD3 LYS 485 HD3 LYS 485 -6.434 -2.588 -8.515 407 HE2 LYS 485 HE2 LYS 485 -4.845 -4.354 -9.023 408 HE3 LYS 485 HE3 LYS 485 -5.426 -5.307 -7.658 409 HZ1 LYS 485 HZ1 LYS 485 -6.353 -6.079 -9.754 410 HZ2 LYS 485 HZ2 LYS 485 -7.036 -4.556 -10.037 411 HZ3 LYS 485 HZ3 LYS 485 -7.571 -5.494 -8.737 412 H ASN 486 H ASN 486 -6.541 -0.322 -7.592 413 HA ASN 486 HA ASN 486 -5.782 1.454 -5.395 414 HB2 ASN 486 HB2 ASN 486 -7.243 3.272 -6.165 415 HB3 ASN 486 HB3 ASN 486 -5.972 2.950 -7.339 416 HD21 ASN 486 HD21 ASN 486 -6.523 2.003 -9.317 417 HD22 ASN 486 HD22 ASN 486 -8.151 1.962 -9.885 418 H TRP 487 H TRP 487 -7.192 1.448 -3.717 419 HA TRP 487 HA TRP 487 -9.813 0.125 -4.037 420 HB2 TRP 487 HB2 TRP 487 -7.902 -0.187 -1.703 421 HB3 TRP 487 HB3 TRP 487 -9.529 -0.845 -1.772 422 HD1 TRP 487 HD1 TRP 487 -9.879 -2.762 -3.841 423 HE1 TRP 487 HE1 TRP 487 -8.241 -4.633 -4.506 424 HE3 TRP 487 HE3 TRP 487 -5.587 -0.824 -1.863 425 HZ2 TRP 487 HZ2 TRP 487 -5.496 -5.219 -4.214 426 HZ3 TRP 487 HZ3 TRP 487 -3.499 -2.100 -2.094 427 HH2 TRP 487 HH2 TRP 487 -3.454 -4.254 -3.243 428 H THR 488 H THR 488 -11.505 0.986 -2.785 429 HA THR 488 HA THR 488 -10.839 3.326 -1.095 430 HB THR 488 HB THR 488 -13.457 2.783 -2.536 431 HG1 THR 488 HG1 THR 488 -11.650 3.476 -3.881 432 HG21 THR 488 HG21 THR 488 -13.771 3.996 -0.422 433 HG22 THR 488 HG22 THR 488 -14.080 5.042 -1.808 434 HG23 THR 488 HG23 THR 488 -12.564 5.183 -0.919 435 H VAL 489 H VAL 489 -11.101 2.959 1.030 436 HA VAL 489 HA VAL 489 -13.205 1.134 1.962 437 HB VAL 489 HB VAL 489 -11.657 -0.035 3.491 438 HG11 VAL 489 HG11 VAL 489 -12.199 -1.079 1.349 439 HG12 VAL 489 HG12 VAL 489 -10.552 -1.471 1.846 440 HG13 VAL 489 HG13 VAL 489 -10.831 -0.262 0.591 441 HG21 VAL 489 HG21 VAL 489 -9.927 1.671 3.696 442 HG22 VAL 489 HG22 VAL 489 -9.474 1.440 2.007 443 HG23 VAL 489 HG23 VAL 489 -9.223 0.141 3.173 444 H SER 490 H SER 490 -13.245 1.121 4.450 445 HA SER 490 HA SER 490 -12.589 3.803 5.517 446 HB2 SER 490 HB2 SER 490 -14.981 2.064 6.198 447 HB3 SER 490 HB3 SER 490 -14.578 3.587 6.988 448 HG SER 490 HG SER 490 -15.952 4.221 5.464 449 H LEU 491 H LEU 491 -11.479 3.887 7.422 450 HA LEU 491 HA LEU 491 -11.017 1.326 8.842 451 HB2 LEU 491 HB2 LEU 491 -9.146 3.659 8.411 452 HB3 LEU 491 HB3 LEU 491 -8.831 2.380 9.569 453 HG LEU 491 HG LEU 491 -9.123 1.976 6.582 454 HD11 LEU 491 HD11 LEU 491 -6.653 1.987 8.318 455 HD12 LEU 491 HD12 LEU 491 -7.083 3.192 7.105 456 HD13 LEU 491 HD13 LEU 491 -6.710 1.542 6.612 457 HD21 LEU 491 HD21 LEU 491 -9.827 0.024 7.857 458 HD22 LEU 491 HD22 LEU 491 -8.324 0.066 8.780 459 HD23 LEU 491 HD23 LEU 491 -8.289 -0.285 7.052 460 H GLY 492 H GLY 492 -11.906 1.264 10.795 461 HA2 GLY 492 HA2 GLY 492 -12.790 3.670 12.134 462 HA3 GLY 492 HA3 GLY 492 -13.025 2.018 12.680 463 HA PRO 493 HA PRO 493 -9.916 4.176 15.448 464 HB2 PRO 493 HB2 PRO 493 -10.984 3.164 17.770 465 HB3 PRO 493 HB3 PRO 493 -11.465 4.703 17.050 466 HG2 PRO 493 HG2 PRO 493 -12.798 2.024 16.854 467 HG3 PRO 493 HG3 PRO 493 -13.527 3.623 17.106 468 HD2 PRO 493 HD2 PRO 493 -13.542 2.435 14.692 469 HD3 PRO 493 HD3 PRO 493 -13.358 4.195 14.861 470 H LYS 494 H LYS 494 -8.116 2.993 15.027 471 HA LYS 494 HA LYS 494 -6.467 1.466 15.347 472 HB2 LYS 494 HB2 LYS 494 -8.310 0.306 17.454 473 HB3 LYS 494 HB3 LYS 494 -6.611 -0.100 17.252 474 HG2 LYS 494 HG2 LYS 494 -7.614 2.676 17.883 475 HG3 LYS 494 HG3 LYS 494 -7.094 1.508 19.102 476 HD2 LYS 494 HD2 LYS 494 -4.860 1.454 18.122 477 HD3 LYS 494 HD3 LYS 494 -5.376 2.564 16.849 478 HE2 LYS 494 HE2 LYS 494 -4.132 3.737 18.604 479 HE3 LYS 494 HE3 LYS 494 -5.799 4.301 18.513 480 HZ1 LYS 494 HZ1 LYS 494 -6.340 2.954 20.432 481 HZ2 LYS 494 HZ2 LYS 494 -5.057 3.989 20.802 482 HZ3 LYS 494 HZ3 LYS 494 -4.766 2.350 20.504 483 H GLU 495 H GLU 495 -8.611 1.056 13.401 484 HA GLU 495 HA GLU 495 -8.982 -1.843 13.275 485 HB2 GLU 495 HB2 GLU 495 -10.904 -0.413 12.794 486 HB3 GLU 495 HB3 GLU 495 -10.010 0.404 11.522 487 HG2 GLU 495 HG2 GLU 495 -11.571 -1.140 10.547 488 HG3 GLU 495 HG3 GLU 495 -9.930 -1.709 10.250 489 H GLU 496 H GLU 496 -8.236 -3.152 11.576 490 HA GLU 496 HA GLU 496 -6.362 -1.976 9.631 491 HB2 GLU 496 HB2 GLU 496 -5.036 -2.962 11.484 492 HB3 GLU 496 HB3 GLU 496 -5.818 -4.513 11.200 493 HG2 GLU 496 HG2 GLU 496 -4.900 -4.346 8.819 494 HG3 GLU 496 HG3 GLU 496 -3.888 -3.040 9.427 495 H LYS 497 H LYS 497 -6.746 -2.639 7.587 496 HA LYS 497 HA LYS 497 -8.284 -5.134 7.159 497 HB2 LYS 497 HB2 LYS 497 -8.163 -2.759 5.278 498 HB3 LYS 497 HB3 LYS 497 -9.217 -4.160 5.156 499 HG2 LYS 497 HG2 LYS 497 -9.325 -2.086 7.340 500 HG3 LYS 497 HG3 LYS 497 -10.383 -2.139 5.932 501 HD2 LYS 497 HD2 LYS 497 -10.173 -4.304 8.033 502 HD3 LYS 497 HD3 LYS 497 -11.430 -3.070 7.972 503 HE2 LYS 497 HE2 LYS 497 -12.078 -3.914 5.724 504 HE3 LYS 497 HE3 LYS 497 -10.898 -5.212 5.914 505 HZ1 LYS 497 HZ1 LYS 497 -12.961 -6.097 6.554 506 HZ2 LYS 497 HZ2 LYS 497 -13.360 -4.747 7.492 507 HZ3 LYS 497 HZ3 LYS 497 -12.144 -5.800 8.002 508 H VAL 498 H VAL 498 -7.413 -6.675 5.810 509 HA VAL 498 HA VAL 498 -4.812 -6.068 4.570 510 HB VAL 498 HB VAL 498 -6.091 -8.765 5.097 511 HG11 VAL 498 HG11 VAL 498 -3.861 -9.678 4.534 512 HG12 VAL 498 HG12 VAL 498 -3.335 -8.060 4.065 513 HG13 VAL 498 HG13 VAL 498 -4.620 -8.866 3.165 514 HG21 VAL 498 HG21 VAL 498 -3.838 -7.339 6.527 515 HG22 VAL 498 HG22 VAL 498 -4.356 -8.996 6.837 516 HG23 VAL 498 HG23 VAL 498 -5.450 -7.652 7.169 517 H LEU 499 H LEU 499 -4.885 -5.482 2.519 518 HA LEU 499 HA LEU 499 -6.864 -6.699 0.694 519 HB2 LEU 499 HB2 LEU 499 -5.312 -4.113 0.411 520 HB3 LEU 499 HB3 LEU 499 -6.508 -4.719 -0.723 521 HG LEU 499 HG LEU 499 -7.127 -3.968 2.144 522 HD11 LEU 499 HD11 LEU 499 -8.187 -1.964 1.224 523 HD12 LEU 499 HD12 LEU 499 -7.602 -2.389 -0.384 524 HD13 LEU 499 HD13 LEU 499 -6.454 -1.988 0.894 525 HD21 LEU 499 HD21 LEU 499 -8.644 -5.635 1.190 526 HD22 LEU 499 HD22 LEU 499 -8.946 -4.578 -0.192 527 HD23 LEU 499 HD23 LEU 499 -9.457 -4.089 1.423 528 H THR 500 H THR 500 -6.132 -7.904 -1.018 529 HA THR 500 HA THR 500 -3.193 -8.103 -1.333 530 HB THR 500 HB THR 500 -3.642 -10.433 -2.216 531 HG1 THR 500 HG1 THR 500 -5.868 -10.284 -2.610 532 HG21 THR 500 HG21 THR 500 -2.779 -10.034 0.054 533 HG22 THR 500 HG22 THR 500 -3.831 -11.448 -0.014 534 HG23 THR 500 HG23 THR 500 -4.434 -9.931 0.659 535 H PHE 501 H PHE 501 -2.328 -8.495 -3.397 536 HA PHE 501 HA PHE 501 -4.107 -8.373 -5.710 537 HB2 PHE 501 HB2 PHE 501 -2.764 -6.633 -6.816 538 HB3 PHE 501 HB3 PHE 501 -3.500 -6.032 -5.338 539 HD1 PHE 501 HD1 PHE 501 -2.125 -5.517 -3.378 540 HD2 PHE 501 HD2 PHE 501 -0.362 -6.844 -7.025 541 HE1 PHE 501 HE1 PHE 501 0.075 -4.734 -2.603 542 HE2 PHE 501 HE2 PHE 501 1.836 -6.065 -6.248 543 HZ PHE 501 HZ PHE 501 2.057 -5.008 -4.036 544 H SER 502 H SER 502 -3.236 -9.291 -7.603 545 HA SER 502 HA SER 502 -0.732 -10.818 -7.212 546 HB2 SER 502 HB2 SER 502 -1.687 -12.488 -8.794 547 HB3 SER 502 HB3 SER 502 -2.675 -12.293 -7.347 548 HG SER 502 HG SER 502 -3.190 -11.516 -9.990 549 H TRP 503 H TRP 503 0.898 -10.082 -8.397 550 HA TRP 503 HA TRP 503 0.314 -8.587 -10.880 551 HB2 TRP 503 HB2 TRP 503 1.188 -7.144 -9.139 552 HB3 TRP 503 HB3 TRP 503 2.546 -8.229 -8.864 553 HD1 TRP 503 HD1 TRP 503 1.209 -6.490 -12.091 554 HE1 TRP 503 HE1 TRP 503 3.204 -5.347 -13.243 555 HE3 TRP 503 HE3 TRP 503 4.884 -7.691 -8.743 556 HZ2 TRP 503 HZ2 TRP 503 5.969 -4.997 -12.795 557 HZ3 TRP 503 HZ3 TRP 503 7.177 -6.912 -9.180 558 HH2 TRP 503 HH2 TRP 503 7.707 -5.593 -11.165 559 H THR 504 H THR 504 1.333 -9.106 -12.734 560 HA THR 504 HA THR 504 3.392 -11.233 -12.662 561 HB THR 504 HB THR 504 1.411 -10.643 -14.881 562 HG1 THR 504 HG1 THR 504 0.387 -11.751 -13.233 563 HG21 THR 504 HG21 THR 504 2.307 -12.667 -15.954 564 HG22 THR 504 HG22 THR 504 3.516 -12.810 -14.677 565 HG23 THR 504 HG23 THR 504 3.554 -11.432 -15.779 566 HA PRO 505 HA PRO 505 5.774 -7.721 -14.374 567 HB2 PRO 505 HB2 PRO 505 8.219 -8.733 -13.770 568 HB3 PRO 505 HB3 PRO 505 7.203 -7.915 -12.575 569 HG2 PRO 505 HG2 PRO 505 7.571 -10.856 -13.050 570 HG3 PRO 505 HG3 PRO 505 7.543 -9.970 -11.513 571 HD2 PRO 505 HD2 PRO 505 5.391 -11.328 -12.450 572 HD3 PRO 505 HD3 PRO 505 5.232 -9.851 -11.477 573 H THR 506 H THR 506 5.334 -8.048 -16.569 574 HA THR 506 HA THR 506 6.345 -10.276 -18.069 575 HB THR 506 HB THR 506 5.682 -8.882 -20.073 576 HG1 THR 506 HG1 THR 506 5.167 -6.842 -19.782 577 HG21 THR 506 HG21 THR 506 4.107 -10.461 -19.072 578 HG22 THR 506 HG22 THR 506 3.263 -9.012 -19.617 579 HG23 THR 506 HG23 THR 506 3.601 -9.241 -17.901 580 H GLN 507 H GLN 507 7.650 -7.212 -17.144 581 HA GLN 507 HA GLN 507 9.984 -7.628 -18.906 582 HB2 GLN 507 HB2 GLN 507 8.905 -5.115 -17.612 583 HB3 GLN 507 HB3 GLN 507 10.472 -5.196 -18.407 584 HG2 GLN 507 HG2 GLN 507 9.453 -5.674 -20.521 585 HG3 GLN 507 HG3 GLN 507 7.866 -5.837 -19.772 586 HE21 GLN 507 HE21 GLN 507 6.740 -3.988 -19.195 587 HE22 GLN 507 HE22 GLN 507 7.207 -2.408 -19.707 588 H GLU 508 H GLU 508 12.033 -7.720 -18.025 589 HA GLU 508 HA GLU 508 12.150 -8.291 -15.174 590 HB2 GLU 508 HB2 GLU 508 14.496 -9.019 -15.670 591 HB3 GLU 508 HB3 GLU 508 13.249 -9.890 -16.546 592 HG2 GLU 508 HG2 GLU 508 14.823 -9.564 -18.182 593 HG3 GLU 508 HG3 GLU 508 13.749 -8.197 -18.452 594 H GLY 509 H GLY 509 13.649 -7.348 -13.713 595 HA2 GLY 509 HA2 GLY 509 15.471 -5.439 -13.834 596 HA3 GLY 509 HA3 GLY 509 14.050 -4.490 -14.246 597 H MET 510 H MET 510 14.937 -3.361 -12.214 598 HA MET 510 HA MET 510 14.003 -4.666 -9.751 599 HB2 MET 510 HB2 MET 510 16.292 -3.552 -9.913 600 HB3 MET 510 HB3 MET 510 15.439 -2.015 -9.970 601 HG2 MET 510 HG2 MET 510 16.156 -2.402 -7.727 602 HG3 MET 510 HG3 MET 510 14.401 -2.571 -7.784 603 HE1 MET 510 HE1 MET 510 15.361 -5.215 -5.067 604 HE2 MET 510 HE2 MET 510 14.310 -3.855 -5.461 605 HE3 MET 510 HE3 MET 510 16.050 -3.610 -5.316 606 H TYR 511 H TYR 511 12.030 -4.202 -8.970 607 HA TYR 511 HA TYR 511 10.742 -1.671 -9.801 608 HB2 TYR 511 HB2 TYR 511 9.460 -4.380 -9.378 609 HB3 TYR 511 HB3 TYR 511 8.578 -2.892 -9.703 610 HD1 TYR 511 HD1 TYR 511 10.796 -5.445 -11.131 611 HD2 TYR 511 HD2 TYR 511 8.550 -1.918 -11.931 612 HE1 TYR 511 HE1 TYR 511 11.043 -5.843 -13.539 613 HE2 TYR 511 HE2 TYR 511 8.796 -2.307 -14.347 614 HH TYR 511 HH TYR 511 9.930 -5.264 -15.613 615 H ARG 512 H ARG 512 10.501 -0.329 -8.134 616 HA ARG 512 HA ARG 512 10.268 -1.381 -5.414 617 HB2 ARG 512 HB2 ARG 512 11.791 0.579 -6.041 618 HB3 ARG 512 HB3 ARG 512 10.324 1.535 -6.225 619 HG2 ARG 512 HG2 ARG 512 9.749 1.010 -3.861 620 HG3 ARG 512 HG3 ARG 512 11.301 0.186 -3.709 621 HD2 ARG 512 HD2 ARG 512 11.763 2.288 -2.850 622 HD3 ARG 512 HD3 ARG 512 12.302 2.437 -4.522 623 HE ARG 512 HE ARG 512 9.632 3.266 -4.374 624 HH11 ARG 512 HH11 ARG 512 12.778 4.299 -3.397 625 HH12 ARG 512 HH12 ARG 512 12.293 5.953 -3.232 626 HH21 ARG 512 HH21 ARG 512 9.040 5.416 -4.158 627 HH22 ARG 512 HH22 ARG 512 10.235 6.571 -3.682 628 H ILE 513 H ILE 513 8.285 -1.873 -4.705 629 HA ILE 513 HA ILE 513 5.939 -0.545 -5.840 630 HB ILE 513 HB ILE 513 6.103 -2.910 -3.948 631 HG12 ILE 513 HG12 ILE 513 5.617 -2.809 -6.943 632 HG13 ILE 513 HG13 ILE 513 7.075 -3.406 -6.159 633 HG21 ILE 513 HG21 ILE 513 3.739 -3.273 -4.543 634 HG22 ILE 513 HG22 ILE 513 3.754 -1.776 -5.476 635 HG23 ILE 513 HG23 ILE 513 3.986 -1.729 -3.728 636 HD11 ILE 513 HD11 ILE 513 4.327 -4.619 -5.916 637 HD12 ILE 513 HD12 ILE 513 5.799 -5.225 -5.157 638 HD13 ILE 513 HD13 ILE 513 5.649 -5.225 -6.914 639 H ASN 514 H ASN 514 5.132 1.181 -4.853 640 HA ASN 514 HA ASN 514 5.386 1.438 -1.920 641 HB2 ASN 514 HB2 ASN 514 5.292 3.600 -4.037 642 HB3 ASN 514 HB3 ASN 514 5.246 3.905 -2.304 643 HD21 ASN 514 HD21 ASN 514 7.111 3.555 -1.077 644 HD22 ASN 514 HD22 ASN 514 8.666 3.424 -1.807 645 H ALA 515 H ALA 515 3.557 1.727 -0.750 646 HA ALA 515 HA ALA 515 1.019 2.066 -2.234 647 HB1 ALA 515 HB1 ALA 515 1.185 -0.072 -1.039 648 HB2 ALA 515 HB2 ALA 515 -0.096 0.943 -0.375 649 HB3 ALA 515 HB3 ALA 515 1.443 0.793 0.476 650 H THR 516 H THR 516 -0.279 3.767 -1.763 651 HA THR 516 HA THR 516 0.506 5.513 0.495 652 HB THR 516 HB THR 516 0.003 7.481 -0.860 653 HG1 THR 516 HG1 THR 516 -0.276 7.002 -3.229 654 HG21 THR 516 HG21 THR 516 1.859 7.391 -2.440 655 HG22 THR 516 HG22 THR 516 1.870 5.629 -2.359 656 HG23 THR 516 HG23 THR 516 2.306 6.579 -0.940 657 H VAL 517 H VAL 517 -1.123 6.336 1.740 658 HA VAL 517 HA VAL 517 -3.897 5.927 0.802 659 HB VAL 517 HB VAL 517 -3.448 4.467 2.696 660 HG11 VAL 517 HG11 VAL 517 -2.838 5.321 4.894 661 HG12 VAL 517 HG12 VAL 517 -2.737 6.959 4.248 662 HG13 VAL 517 HG13 VAL 517 -1.600 5.725 3.704 663 HG21 VAL 517 HG21 VAL 517 -5.681 5.438 2.509 664 HG22 VAL 517 HG22 VAL 517 -5.179 6.814 3.494 665 HG23 VAL 517 HG23 VAL 517 -5.240 5.198 4.200 666 H ASP 518 H ASP 518 -5.333 7.576 1.005 667 HA ASP 518 HA ASP 518 -5.948 9.749 0.751 668 HB2 ASP 518 HB2 ASP 518 -6.264 9.241 3.210 669 HB3 ASP 518 HB3 ASP 518 -4.759 10.108 3.504 670 H GLU 519 H GLU 519 -3.827 9.655 -0.780 671 HA GLU 519 HA GLU 519 -1.726 11.442 -0.321 672 HB2 GLU 519 HB2 GLU 519 -3.197 10.945 -2.924 673 HB3 GLU 519 HB3 GLU 519 -1.621 11.715 -2.777 674 HG2 GLU 519 HG2 GLU 519 -0.740 9.617 -1.792 675 HG3 GLU 519 HG3 GLU 519 -2.305 8.862 -2.088 676 H GLU 520 H GLU 520 -5.066 11.989 -1.056 677 HA GLU 520 HA GLU 520 -4.963 14.728 -1.769 678 HB2 GLU 520 HB2 GLU 520 -7.194 13.058 -0.587 679 HB3 GLU 520 HB3 GLU 520 -7.405 14.656 -1.292 680 HG2 GLU 520 HG2 GLU 520 -6.960 13.896 -3.455 681 HG3 GLU 520 HG3 GLU 520 -6.194 12.418 -2.879 682 H ASN 521 H ASN 521 -4.615 13.135 1.245 683 HA ASN 521 HA ASN 521 -4.574 13.778 3.418 684 HB2 ASN 521 HB2 ASN 521 -3.600 16.307 2.082 685 HB3 ASN 521 HB3 ASN 521 -3.593 16.083 3.828 686 HD21 ASN 521 HD21 ASN 521 -2.208 14.520 4.733 687 HD22 ASN 521 HD22 ASN 521 -0.863 13.884 3.851 688 H THR 522 H THR 522 -7.046 13.618 2.791 689 HA THR 522 HA THR 522 -8.649 15.960 2.988 690 HB THR 522 HB THR 522 -10.530 14.463 3.369 691 HG1 THR 522 HG1 THR 522 -8.541 12.425 3.719 692 HG21 THR 522 HG21 THR 522 -10.316 12.988 1.412 693 HG22 THR 522 HG22 THR 522 -8.573 13.264 1.392 694 HG23 THR 522 HG23 THR 522 -9.682 14.599 1.072 695 H VAL 523 H VAL 523 -6.950 14.103 5.323 696 HA VAL 523 HA VAL 523 -8.183 15.667 7.495 697 HB VAL 523 HB VAL 523 -9.223 13.468 7.564 698 HG11 VAL 523 HG11 VAL 523 -6.429 12.330 7.788 699 HG12 VAL 523 HG12 VAL 523 -7.492 12.188 6.387 700 HG13 VAL 523 HG13 VAL 523 -7.934 11.417 7.911 701 HG21 VAL 523 HG21 VAL 523 -8.778 14.569 9.693 702 HG22 VAL 523 HG22 VAL 523 -7.191 13.804 9.777 703 HG23 VAL 523 HG23 VAL 523 -8.651 12.818 9.860 704 H VAL 524 H VAL 524 -6.770 16.414 9.042 705 HA VAL 524 HA VAL 524 -3.919 15.999 8.663 706 HB VAL 524 HB VAL 524 -5.389 17.586 10.796 707 HG11 VAL 524 HG11 VAL 524 -3.220 18.676 11.196 708 HG12 VAL 524 HG12 VAL 524 -2.458 17.579 10.044 709 HG13 VAL 524 HG13 VAL 524 -3.153 16.947 11.537 710 HG21 VAL 524 HG21 VAL 524 -4.038 18.542 8.264 711 HG22 VAL 524 HG22 VAL 524 -4.814 19.559 9.478 712 HG23 VAL 524 HG23 VAL 524 -5.780 18.437 8.518 713 H GLU 525 H GLU 525 -2.770 14.421 9.656 714 HA GLU 525 HA GLU 525 -4.135 12.898 11.791 715 HB2 GLU 525 HB2 GLU 525 -2.086 11.933 9.785 716 HB3 GLU 525 HB3 GLU 525 -2.909 10.942 10.984 717 HG2 GLU 525 HG2 GLU 525 -5.077 11.804 9.812 718 HG3 GLU 525 HG3 GLU 525 -3.983 12.167 8.476 719 H LEU 526 H LEU 526 -2.282 11.336 12.847 720 HA LEU 526 HA LEU 526 -0.714 13.064 14.490 721 HB2 LEU 526 HB2 LEU 526 -0.635 10.058 14.162 722 HB3 LEU 526 HB3 LEU 526 0.205 10.944 15.423 723 HG LEU 526 HG LEU 526 -2.801 10.818 15.068 724 HD11 LEU 526 HD11 LEU 526 -1.005 9.509 17.117 725 HD12 LEU 526 HD12 LEU 526 -1.887 8.693 15.824 726 HD13 LEU 526 HD13 LEU 526 -2.769 9.489 17.128 727 HD21 LEU 526 HD21 LEU 526 -1.134 12.111 17.236 728 HD22 LEU 526 HD22 LEU 526 -2.890 11.952 17.244 729 HD23 LEU 526 HD23 LEU 526 -2.103 12.949 16.021 730 H ASN 527 H ASN 527 0.068 10.894 11.797 731 HA ASN 527 HA ASN 527 2.672 12.273 11.540 732 HB2 ASN 527 HB2 ASN 527 2.073 9.355 10.984 733 HB3 ASN 527 HB3 ASN 527 3.584 10.160 10.579 734 HD21 ASN 527 HD21 ASN 527 1.589 8.947 13.144 735 HD22 ASN 527 HD22 ASN 527 2.807 8.983 14.370 736 H GLU 528 H GLU 528 2.952 13.288 9.654 737 HA GLU 528 HA GLU 528 0.868 13.139 7.643 738 HB2 GLU 528 HB2 GLU 528 3.359 14.851 7.832 739 HB3 GLU 528 HB3 GLU 528 2.115 15.032 6.604 740 HG2 GLU 528 HG2 GLU 528 1.486 15.239 9.535 741 HG3 GLU 528 HG3 GLU 528 2.075 16.618 8.610 742 H ASN 529 H ASN 529 4.106 11.919 8.030 743 HA ASN 529 HA ASN 529 4.266 11.257 5.160 744 HB2 ASN 529 HB2 ASN 529 6.665 10.762 5.628 745 HB3 ASN 529 HB3 ASN 529 6.204 12.423 5.975 746 HD21 ASN 529 HD21 ASN 529 7.880 12.741 7.386 747 HD22 ASN 529 HD22 ASN 529 7.936 12.008 8.949 748 H ASN 530 H ASN 530 2.976 9.791 7.724 749 HA ASN 530 HA ASN 530 4.294 7.197 7.539 750 HB2 ASN 530 HB2 ASN 530 3.446 8.260 9.698 751 HB3 ASN 530 HB3 ASN 530 1.820 7.884 9.141 752 HD21 ASN 530 HD21 ASN 530 1.439 6.505 10.865 753 HD22 ASN 530 HD22 ASN 530 2.194 4.958 10.986 754 H ASN 531 H ASN 531 2.050 8.715 5.689 755 HA ASN 531 HA ASN 531 0.102 6.613 5.373 756 HB2 ASN 531 HB2 ASN 531 0.545 9.040 3.620 757 HB3 ASN 531 HB3 ASN 531 -0.911 8.052 3.713 758 HD21 ASN 531 HD21 ASN 531 -2.213 8.207 5.564 759 HD22 ASN 531 HD22 ASN 531 -2.129 9.572 6.613 760 H VAL 532 H VAL 532 3.228 6.745 4.312 761 HA VAL 532 HA VAL 532 2.603 5.306 1.801 762 HB VAL 532 HB VAL 532 4.981 7.128 2.254 763 HG11 VAL 532 HG11 VAL 532 5.444 6.784 -0.130 764 HG12 VAL 532 HG12 VAL 532 4.100 5.647 -0.231 765 HG13 VAL 532 HG13 VAL 532 5.506 5.265 0.762 766 HG21 VAL 532 HG21 VAL 532 2.964 8.446 2.038 767 HG22 VAL 532 HG22 VAL 532 2.486 7.547 0.598 768 HG23 VAL 532 HG23 VAL 532 3.913 8.584 0.558 769 H ALA 533 H ALA 533 3.428 3.317 1.623 770 HA ALA 533 HA ALA 533 5.642 2.506 3.411 771 HB1 ALA 533 HB1 ALA 533 3.507 0.749 2.194 772 HB2 ALA 533 HB2 ALA 533 3.529 1.332 3.859 773 HB3 ALA 533 HB3 ALA 533 4.785 0.231 3.295 774 H THR 534 H THR 534 7.378 1.394 2.568 775 HA THR 534 HA THR 534 7.553 1.292 -0.385 776 HB THR 534 HB THR 534 9.806 1.727 1.599 777 HG1 THR 534 HG1 THR 534 8.774 3.642 1.503 778 HG21 THR 534 HG21 THR 534 11.175 2.211 -0.374 779 HG22 THR 534 HG22 THR 534 9.811 1.834 -1.426 780 HG23 THR 534 HG23 THR 534 10.544 0.567 -0.442 781 H PHE 535 H PHE 535 7.913 -0.640 -1.304 782 HA PHE 535 HA PHE 535 9.515 -2.653 0.115 783 HB2 PHE 535 HB2 PHE 535 7.086 -3.162 0.492 784 HB3 PHE 535 HB3 PHE 535 6.887 -3.315 -1.249 785 HD1 PHE 535 HD1 PHE 535 8.383 -4.819 1.752 786 HD2 PHE 535 HD2 PHE 535 7.645 -5.279 -2.419 787 HE1 PHE 535 HE1 PHE 535 9.000 -7.195 1.905 788 HE2 PHE 535 HE2 PHE 535 8.260 -7.655 -2.267 789 HZ PHE 535 HZ PHE 535 8.940 -8.616 -0.105 790 H ASP 536 H ASP 536 11.158 -3.193 -1.209 791 HA ASP 536 HA ASP 536 10.887 -2.668 -4.082 792 HB2 ASP 536 HB2 ASP 536 13.401 -2.907 -4.072 793 HB3 ASP 536 HB3 ASP 536 12.765 -1.572 -3.117 794 H VAL 537 H VAL 537 10.999 -4.188 -5.638 795 HA VAL 537 HA VAL 537 11.464 -6.997 -4.844 796 HB VAL 537 HB VAL 537 9.448 -6.009 -6.883 797 HG11 VAL 537 HG11 VAL 537 10.034 -8.798 -5.871 798 HG12 VAL 537 HG12 VAL 537 10.338 -8.183 -7.495 799 HG13 VAL 537 HG13 VAL 537 8.682 -8.360 -6.916 800 HG21 VAL 537 HG21 VAL 537 7.740 -6.797 -5.284 801 HG22 VAL 537 HG22 VAL 537 8.707 -5.473 -4.632 802 HG23 VAL 537 HG23 VAL 537 9.013 -7.129 -4.109 803 H SER 538 H SER 538 12.753 -8.211 -6.163 804 HA SER 538 HA SER 538 13.924 -6.902 -8.530 805 HB2 SER 538 HB2 SER 538 15.555 -7.582 -6.843 806 HB3 SER 538 HB3 SER 538 14.939 -9.234 -6.877 807 HG SER 538 HG SER 538 16.553 -9.401 -8.262 808 H VAL 539 H VAL 539 13.458 -7.638 -10.526 809 HA VAL 539 HA VAL 539 12.169 -10.286 -10.797 810 HB VAL 539 HB VAL 539 11.973 -7.933 -12.696 811 HG11 VAL 539 HG11 VAL 539 11.717 -10.079 -13.827 812 HG12 VAL 539 HG12 VAL 539 10.172 -9.232 -13.757 813 HG13 VAL 539 HG13 VAL 539 10.494 -10.572 -12.655 814 HG21 VAL 539 HG21 VAL 539 10.846 -7.441 -10.587 815 HG22 VAL 539 HG22 VAL 539 9.958 -8.962 -10.686 816 HG23 VAL 539 HG23 VAL 539 9.668 -7.691 -11.875 817 H VAL 540 H VAL 540 13.210 -11.830 -11.910 818 HA VAL 540 HA VAL 540 15.510 -11.053 -13.610 819 HB VAL 540 HB VAL 540 16.595 -13.188 -12.944 820 HG11 VAL 540 HG11 VAL 540 17.287 -12.460 -10.710 821 HG12 VAL 540 HG12 VAL 540 15.904 -11.370 -10.628 822 HG13 VAL 540 HG13 VAL 540 17.177 -11.089 -11.815 823 HG21 VAL 540 HG21 VAL 540 15.747 -14.409 -10.980 824 HG22 VAL 540 HG22 VAL 540 14.602 -14.457 -12.322 825 HG23 VAL 540 HG23 VAL 540 14.318 -13.374 -10.959 826 H LEU 541 H LEU 541 16.154 -12.710 -15.241 827 HA LEU 541 HA LEU 541 13.798 -13.667 -16.676 828 HB2 LEU 541 HB2 LEU 541 16.720 -13.513 -17.409 829 HB3 LEU 541 HB3 LEU 541 15.511 -14.227 -18.458 830 HG LEU 541 HG LEU 541 15.557 -11.341 -17.549 831 HD11 LEU 541 HD11 LEU 541 16.121 -10.842 -19.873 832 HD12 LEU 541 HD12 LEU 541 16.178 -12.566 -20.239 833 HD13 LEU 541 HD13 LEU 541 17.350 -11.862 -19.125 834 HD21 LEU 541 HD21 LEU 541 13.276 -12.140 -17.895 835 HD22 LEU 541 HD22 LEU 541 13.719 -12.769 -19.481 836 HD23 LEU 541 HD23 LEU 541 13.746 -11.031 -19.183 837 H GLU 542 H GLU 542 15.257 -15.073 -14.240 838 HA GLU 542 HA GLU 542 15.310 -17.751 -15.485 839 HB2 GLU 542 HB2 GLU 542 17.103 -18.365 -13.847 840 HB3 GLU 542 HB3 GLU 542 17.583 -17.183 -15.055 841 HG2 GLU 542 HG2 GLU 542 17.198 -15.390 -13.367 842 HG3 GLU 542 HG3 GLU 542 16.907 -16.650 -12.167 Start of MODEL 3 1 H1 MET 435 H1 MET 435 -11.487 17.128 21.220 2 H2 MET 435 H2 MET 435 -10.210 16.132 21.700 3 H3 MET 435 H3 MET 435 -11.625 15.452 21.070 4 HA MET 435 HA MET 435 -11.222 16.416 18.931 5 HB2 MET 435 HB2 MET 435 -8.685 17.489 20.190 6 HB3 MET 435 HB3 MET 435 -9.102 17.598 18.485 7 HG2 MET 435 HG2 MET 435 -11.086 18.950 19.099 8 HG3 MET 435 HG3 MET 435 -10.550 18.911 20.779 9 HE1 MET 435 HE1 MET 435 -9.809 22.609 19.654 10 HE2 MET 435 HE2 MET 435 -10.669 21.587 20.804 11 HE3 MET 435 HE3 MET 435 -11.154 21.607 19.108 12 H GLU 436 H GLU 436 -11.206 14.230 18.436 13 HA GLU 436 HA GLU 436 -8.829 12.636 18.974 14 HB2 GLU 436 HB2 GLU 436 -11.550 12.056 17.845 15 HB3 GLU 436 HB3 GLU 436 -10.242 10.917 17.572 16 HG2 GLU 436 HG2 GLU 436 -11.620 10.284 19.483 17 HG3 GLU 436 HG3 GLU 436 -9.955 10.609 19.953 18 H PHE 437 H PHE 437 -7.196 12.348 17.597 19 HA PHE 437 HA PHE 437 -7.549 13.149 14.776 20 HB2 PHE 437 HB2 PHE 437 -5.087 13.199 16.536 21 HB3 PHE 437 HB3 PHE 437 -5.027 13.426 14.793 22 HD1 PHE 437 HD1 PHE 437 -5.902 15.447 13.766 23 HD2 PHE 437 HD2 PHE 437 -5.971 14.921 17.993 24 HE1 PHE 437 HE1 PHE 437 -6.324 17.851 14.053 25 HE2 PHE 437 HE2 PHE 437 -6.398 17.328 18.284 26 HZ PHE 437 HZ PHE 437 -6.571 18.795 16.311 27 HA PRO 438 HA PRO 438 -6.799 8.865 13.885 28 HB2 PRO 438 HB2 PRO 438 -6.898 8.998 11.192 29 HB3 PRO 438 HB3 PRO 438 -8.331 9.196 12.207 30 HG2 PRO 438 HG2 PRO 438 -6.735 11.247 10.764 31 HG3 PRO 438 HG3 PRO 438 -8.468 11.210 11.107 32 HD2 PRO 438 HD2 PRO 438 -6.529 12.672 12.518 33 HD3 PRO 438 HD3 PRO 438 -8.190 12.353 13.050 34 H ASP 439 H ASP 439 -5.385 7.512 12.362 35 HA ASP 439 HA ASP 439 -2.921 8.704 11.454 36 HB2 ASP 439 HB2 ASP 439 -2.595 8.301 13.944 37 HB3 ASP 439 HB3 ASP 439 -2.745 6.580 13.611 38 H LEU 440 H LEU 440 -3.617 7.891 9.449 39 HA LEU 440 HA LEU 440 -4.162 5.043 9.149 40 HB2 LEU 440 HB2 LEU 440 -4.141 7.258 7.088 41 HB3 LEU 440 HB3 LEU 440 -4.706 5.619 6.820 42 HG LEU 440 HG LEU 440 -5.957 7.575 8.759 43 HD11 LEU 440 HD11 LEU 440 -6.242 8.306 6.451 44 HD12 LEU 440 HD12 LEU 440 -7.768 7.759 7.142 45 HD13 LEU 440 HD13 LEU 440 -6.889 6.722 6.017 46 HD21 LEU 440 HD21 LEU 440 -6.283 5.241 9.415 47 HD22 LEU 440 HD22 LEU 440 -6.910 4.871 7.807 48 HD23 LEU 440 HD23 LEU 440 -7.794 5.968 8.869 49 H THR 441 H THR 441 -2.359 3.784 9.137 50 HA THR 441 HA THR 441 -0.155 4.583 7.326 51 HB THR 441 HB THR 441 0.647 4.381 9.599 52 HG1 THR 441 HG1 THR 441 2.150 3.688 8.115 53 HG21 THR 441 HG21 THR 441 -1.050 2.862 10.497 54 HG22 THR 441 HG22 THR 441 0.577 2.266 10.828 55 HG23 THR 441 HG23 THR 441 -0.383 1.542 9.538 56 H VAL 442 H VAL 442 0.835 3.005 6.031 57 HA VAL 442 HA VAL 442 -0.773 0.576 5.538 58 HB VAL 442 HB VAL 442 -0.299 0.790 3.135 59 HG11 VAL 442 HG11 VAL 442 -1.796 2.630 2.632 60 HG12 VAL 442 HG12 VAL 442 -1.524 3.328 4.227 61 HG13 VAL 442 HG13 VAL 442 -2.362 1.786 4.073 62 HG21 VAL 442 HG21 VAL 442 0.978 3.437 3.858 63 HG22 VAL 442 HG22 VAL 442 0.683 2.849 2.220 64 HG23 VAL 442 HG23 VAL 442 1.820 2.006 3.268 65 H GLU 443 H GLU 443 0.362 -1.295 4.935 66 HA GLU 443 HA GLU 443 3.311 -1.172 4.994 67 HB2 GLU 443 HB2 GLU 443 1.590 -3.197 6.452 68 HB3 GLU 443 HB3 GLU 443 3.345 -3.241 6.353 69 HG2 GLU 443 HG2 GLU 443 3.437 -1.079 7.551 70 HG3 GLU 443 HG3 GLU 443 1.679 -1.120 7.703 71 H ILE 444 H ILE 444 4.378 -2.607 3.636 72 HA ILE 444 HA ILE 444 2.670 -4.203 1.822 73 HB ILE 444 HB ILE 444 5.431 -3.084 1.268 74 HG12 ILE 444 HG12 ILE 444 2.729 -2.158 0.242 75 HG13 ILE 444 HG13 ILE 444 3.720 -1.307 1.424 76 HG21 ILE 444 HG21 ILE 444 3.468 -4.474 -0.562 77 HG22 ILE 444 HG22 ILE 444 4.980 -5.150 0.046 78 HG23 ILE 444 HG23 ILE 444 5.010 -3.769 -1.052 79 HD11 ILE 444 HD11 ILE 444 3.932 -0.302 -0.765 80 HD12 ILE 444 HD12 ILE 444 4.449 -1.842 -1.448 81 HD13 ILE 444 HD13 ILE 444 5.467 -1.014 -0.269 82 H LYS 445 H LYS 445 2.956 -6.378 1.775 83 HA LYS 445 HA LYS 445 5.490 -7.501 2.793 84 HB2 LYS 445 HB2 LYS 445 3.687 -7.612 4.532 85 HB3 LYS 445 HB3 LYS 445 2.744 -8.611 3.436 86 HG2 LYS 445 HG2 LYS 445 3.857 -10.000 5.071 87 HG3 LYS 445 HG3 LYS 445 4.534 -10.309 3.469 88 HD2 LYS 445 HD2 LYS 445 6.452 -8.893 3.978 89 HD3 LYS 445 HD3 LYS 445 5.764 -8.489 5.552 90 HE2 LYS 445 HE2 LYS 445 5.899 -10.879 6.184 91 HE3 LYS 445 HE3 LYS 445 6.659 -11.222 4.628 92 HZ1 LYS 445 HZ1 LYS 445 8.262 -10.970 6.449 93 HZ2 LYS 445 HZ2 LYS 445 7.758 -9.373 6.674 94 HZ3 LYS 445 HZ3 LYS 445 8.505 -9.831 5.226 95 H GLY 446 H GLY 446 6.348 -9.102 1.559 96 HA2 GLY 446 HA2 GLY 446 5.091 -11.129 0.206 97 HA3 GLY 446 HA3 GLY 446 5.075 -9.794 -0.934 98 HA PRO 447 HA PRO 447 9.078 -12.197 -1.400 99 HB2 PRO 447 HB2 PRO 447 8.888 -12.585 -4.088 100 HB3 PRO 447 HB3 PRO 447 8.173 -13.687 -2.903 101 HG2 PRO 447 HG2 PRO 447 6.870 -11.493 -4.480 102 HG3 PRO 447 HG3 PRO 447 6.283 -13.135 -4.155 103 HD2 PRO 447 HD2 PRO 447 5.405 -10.975 -2.772 104 HD3 PRO 447 HD3 PRO 447 5.543 -12.584 -2.031 105 H ASP 448 H ASP 448 10.868 -10.995 -1.537 106 HA ASP 448 HA ASP 448 10.836 -8.369 -2.712 107 HB2 ASP 448 HB2 ASP 448 13.232 -8.322 -1.927 108 HB3 ASP 448 HB3 ASP 448 12.041 -8.639 -0.668 109 H VAL 449 H VAL 449 11.795 -11.505 -3.793 110 HA VAL 449 HA VAL 449 12.715 -10.305 -6.335 111 HB VAL 449 HB VAL 449 13.826 -12.828 -5.064 112 HG11 VAL 449 HG11 VAL 449 13.698 -13.055 -7.486 113 HG12 VAL 449 HG12 VAL 449 15.378 -12.872 -6.980 114 HG13 VAL 449 HG13 VAL 449 14.519 -11.507 -7.697 115 HG21 VAL 449 HG21 VAL 449 14.689 -10.806 -3.999 116 HG22 VAL 449 HG22 VAL 449 15.146 -10.155 -5.574 117 HG23 VAL 449 HG23 VAL 449 15.949 -11.596 -4.948 118 H VAL 450 H VAL 450 11.585 -10.987 -8.089 119 HA VAL 450 HA VAL 450 9.977 -13.456 -7.851 120 HB VAL 450 HB VAL 450 8.125 -12.417 -9.053 121 HG11 VAL 450 HG11 VAL 450 8.083 -12.359 -6.619 122 HG12 VAL 450 HG12 VAL 450 7.316 -10.917 -7.286 123 HG13 VAL 450 HG13 VAL 450 8.947 -10.822 -6.621 124 HG21 VAL 450 HG21 VAL 450 9.708 -9.842 -8.892 125 HG22 VAL 450 HG22 VAL 450 8.053 -10.010 -9.484 126 HG23 VAL 450 HG23 VAL 450 9.383 -10.768 -10.358 127 H GLY 451 H GLY 451 9.225 -14.305 -9.974 128 HA2 GLY 451 HA2 GLY 451 11.418 -14.138 -11.922 129 HA3 GLY 451 HA3 GLY 451 10.229 -15.425 -11.810 130 H VAL 452 H VAL 452 11.060 -13.955 -14.160 131 HA VAL 452 HA VAL 452 9.074 -12.085 -14.944 132 HB VAL 452 HB VAL 452 11.303 -12.260 -16.015 133 HG11 VAL 452 HG11 VAL 452 11.737 -13.999 -17.682 134 HG12 VAL 452 HG12 VAL 452 10.216 -14.787 -17.261 135 HG13 VAL 452 HG13 VAL 452 11.515 -14.687 -16.072 136 HG21 VAL 452 HG21 VAL 452 9.477 -11.104 -17.165 137 HG22 VAL 452 HG22 VAL 452 8.999 -12.615 -17.938 138 HG23 VAL 452 HG23 VAL 452 10.563 -11.889 -18.313 139 H ASN 453 H ASN 453 7.199 -12.348 -16.145 140 HA ASN 453 HA ASN 453 5.268 -13.313 -16.847 141 HB2 ASN 453 HB2 ASN 453 7.115 -15.601 -17.597 142 HB3 ASN 453 HB3 ASN 453 5.462 -15.399 -18.176 143 HD21 ASN 453 HD21 ASN 453 8.044 -15.462 -19.607 144 HD22 ASN 453 HD22 ASN 453 8.103 -13.998 -20.518 145 H LYS 454 H LYS 454 6.354 -13.881 -14.066 146 HA LYS 454 HA LYS 454 4.801 -16.312 -13.435 147 HB2 LYS 454 HB2 LYS 454 6.918 -14.867 -11.821 148 HB3 LYS 454 HB3 LYS 454 6.012 -16.262 -11.252 149 HG2 LYS 454 HG2 LYS 454 7.878 -16.214 -13.622 150 HG3 LYS 454 HG3 LYS 454 8.234 -16.891 -12.033 151 HD2 LYS 454 HD2 LYS 454 6.094 -17.853 -13.945 152 HD3 LYS 454 HD3 LYS 454 7.632 -18.654 -13.614 153 HE2 LYS 454 HE2 LYS 454 6.942 -18.901 -11.245 154 HE3 LYS 454 HE3 LYS 454 5.377 -18.197 -11.657 155 HZ1 LYS 454 HZ1 LYS 454 6.503 -20.717 -12.752 156 HZ2 LYS 454 HZ2 LYS 454 5.019 -20.034 -13.199 157 HZ3 LYS 454 HZ3 LYS 454 5.250 -20.589 -11.622 158 H LEU 455 H LEU 455 3.607 -16.259 -11.328 159 HA LEU 455 HA LEU 455 2.212 -13.682 -11.037 160 HB2 LEU 455 HB2 LEU 455 0.918 -15.741 -11.665 161 HB3 LEU 455 HB3 LEU 455 1.324 -16.413 -10.096 162 HG LEU 455 HG LEU 455 0.128 -14.525 -9.007 163 HD11 LEU 455 HD11 LEU 455 -1.323 -13.090 -10.373 164 HD12 LEU 455 HD12 LEU 455 -0.648 -13.804 -11.837 165 HD13 LEU 455 HD13 LEU 455 0.381 -12.859 -10.760 166 HD21 LEU 455 HD21 LEU 455 -1.535 -16.090 -10.990 167 HD22 LEU 455 HD22 LEU 455 -2.132 -15.296 -9.533 168 HD23 LEU 455 HD23 LEU 455 -1.017 -16.654 -9.400 169 H ALA 456 H ALA 456 2.761 -12.468 -9.331 170 HA ALA 456 HA ALA 456 3.688 -13.808 -6.857 171 HB1 ALA 456 HB1 ALA 456 5.424 -12.452 -7.933 172 HB2 ALA 456 HB2 ALA 456 4.963 -11.786 -6.366 173 HB3 ALA 456 HB3 ALA 456 4.373 -11.037 -7.851 174 H GLU 457 H GLU 457 2.607 -13.432 -4.982 175 HA GLU 457 HA GLU 457 0.419 -11.449 -5.039 176 HB2 GLU 457 HB2 GLU 457 0.687 -14.104 -3.646 177 HB3 GLU 457 HB3 GLU 457 -0.475 -12.904 -3.089 178 HG2 GLU 457 HG2 GLU 457 -1.609 -12.933 -5.199 179 HG3 GLU 457 HG3 GLU 457 -0.382 -13.995 -5.898 180 H TYR 458 H TYR 458 0.331 -9.864 -3.583 181 HA TYR 458 HA TYR 458 2.236 -9.888 -1.318 182 HB2 TYR 458 HB2 TYR 458 1.401 -7.542 -3.047 183 HB3 TYR 458 HB3 TYR 458 2.357 -7.400 -1.577 184 HD1 TYR 458 HD1 TYR 458 2.384 -8.908 -4.992 185 HD2 TYR 458 HD2 TYR 458 4.697 -7.620 -1.657 186 HE1 TYR 458 HE1 TYR 458 4.442 -9.218 -6.303 187 HE2 TYR 458 HE2 TYR 458 6.757 -7.929 -2.959 188 HH TYR 458 HH TYR 458 7.571 -9.116 -4.870 189 H GLU 459 H GLU 459 1.576 -8.513 0.525 190 HA GLU 459 HA GLU 459 -1.356 -8.183 0.754 191 HB2 GLU 459 HB2 GLU 459 0.640 -8.842 2.938 192 HB3 GLU 459 HB3 GLU 459 -1.046 -8.445 3.223 193 HG2 GLU 459 HG2 GLU 459 -1.614 -10.457 1.784 194 HG3 GLU 459 HG3 GLU 459 0.093 -10.891 1.900 195 H VAL 460 H VAL 460 -1.992 -6.128 0.990 196 HA VAL 460 HA VAL 460 -0.133 -4.142 2.099 197 HB VAL 460 HB VAL 460 -2.834 -3.688 0.798 198 HG11 VAL 460 HG11 VAL 460 -2.142 -1.337 0.683 199 HG12 VAL 460 HG12 VAL 460 -0.652 -1.732 1.542 200 HG13 VAL 460 HG13 VAL 460 -2.210 -1.910 2.350 201 HG21 VAL 460 HG21 VAL 460 -1.569 -2.905 -1.160 202 HG22 VAL 460 HG22 VAL 460 -1.254 -4.606 -0.818 203 HG23 VAL 460 HG23 VAL 460 -0.064 -3.381 -0.374 204 H HIS 461 H HIS 461 -0.251 -3.931 4.242 205 HA HIS 461 HA HIS 461 -2.771 -4.467 5.650 206 HB2 HIS 461 HB2 HIS 461 0.099 -4.222 6.563 207 HB3 HIS 461 HB3 HIS 461 -1.236 -4.216 7.710 208 HD1 HIS 461 HD1 HIS 461 -1.902 -6.452 8.562 209 HD2 HIS 461 HD2 HIS 461 0.067 -6.703 4.905 210 HE1 HIS 461 HE1 HIS 461 -1.657 -8.910 8.093 211 HE2 HIS 461 HE2 HIS 461 -0.479 -9.041 5.870 212 H VAL 462 H VAL 462 -4.082 -2.743 5.784 213 HA VAL 462 HA VAL 462 -2.879 -0.093 6.277 214 HB VAL 462 HB VAL 462 -4.834 0.923 5.293 215 HG11 VAL 462 HG11 VAL 462 -3.052 0.153 3.779 216 HG12 VAL 462 HG12 VAL 462 -4.630 0.149 2.999 217 HG13 VAL 462 HG13 VAL 462 -3.915 -1.367 3.548 218 HG21 VAL 462 HG21 VAL 462 -6.668 -0.404 4.307 219 HG22 VAL 462 HG22 VAL 462 -6.570 -0.614 6.058 220 HG23 VAL 462 HG23 VAL 462 -5.959 -1.871 4.985 221 H LYS 463 H LYS 463 -3.179 0.789 8.228 222 HA LYS 463 HA LYS 463 -5.427 -0.109 9.895 223 HB2 LYS 463 HB2 LYS 463 -3.755 -0.284 11.829 224 HB3 LYS 463 HB3 LYS 463 -3.782 -1.593 10.654 225 HG2 LYS 463 HG2 LYS 463 -1.757 -0.970 9.710 226 HG3 LYS 463 HG3 LYS 463 -1.860 0.678 10.329 227 HD2 LYS 463 HD2 LYS 463 -0.188 -0.474 11.599 228 HD3 LYS 463 HD3 LYS 463 -1.598 -0.253 12.634 229 HE2 LYS 463 HE2 LYS 463 -0.684 -2.482 12.922 230 HE3 LYS 463 HE3 LYS 463 -2.281 -2.571 12.182 231 HZ1 LYS 463 HZ1 LYS 463 0.271 -2.715 10.669 232 HZ2 LYS 463 HZ2 LYS 463 -1.286 -2.956 10.057 233 HZ3 LYS 463 HZ3 LYS 463 -0.631 -4.059 11.153 234 H ASN 464 H ASN 464 -6.178 1.325 11.364 235 HA ASN 464 HA ASN 464 -5.082 4.056 11.294 236 HB2 ASN 464 HB2 ASN 464 -7.497 3.659 10.780 237 HB3 ASN 464 HB3 ASN 464 -7.714 3.016 12.398 238 HD21 ASN 464 HD21 ASN 464 -9.059 5.212 11.174 239 HD22 ASN 464 HD22 ASN 464 -8.748 6.602 12.145 240 H LEU 465 H LEU 465 -3.965 4.832 13.035 241 HA LEU 465 HA LEU 465 -4.062 3.260 15.540 242 HB2 LEU 465 HB2 LEU 465 -1.832 5.018 14.502 243 HB3 LEU 465 HB3 LEU 465 -1.799 4.085 15.989 244 HG LEU 465 HG LEU 465 -1.938 2.946 13.188 245 HD11 LEU 465 HD11 LEU 465 0.242 3.880 13.709 246 HD12 LEU 465 HD12 LEU 465 0.317 2.119 13.660 247 HD13 LEU 465 HD13 LEU 465 0.301 2.959 15.212 248 HD21 LEU 465 HD21 LEU 465 -1.679 0.765 14.247 249 HD22 LEU 465 HD22 LEU 465 -3.157 1.551 14.796 250 HD23 LEU 465 HD23 LEU 465 -1.737 1.510 15.843 251 H GLY 466 H GLY 466 -5.209 6.074 14.300 252 HA2 GLY 466 HA2 GLY 466 -4.634 7.861 16.505 253 HA3 GLY 466 HA3 GLY 466 -5.691 8.184 15.144 254 H GLY 467 H GLY 467 -7.039 5.478 15.907 255 HA2 GLY 467 HA2 GLY 467 -8.620 4.685 17.428 256 HA3 GLY 467 HA3 GLY 467 -8.244 6.036 18.482 257 H ILE 468 H ILE 468 -9.057 6.769 15.217 258 HA ILE 468 HA ILE 468 -11.883 7.241 15.877 259 HB ILE 468 HB ILE 468 -11.000 9.387 16.327 260 HG12 ILE 468 HG12 ILE 468 -11.949 9.511 13.449 261 HG13 ILE 468 HG13 ILE 468 -13.015 9.364 14.845 262 HG21 ILE 468 HG21 ILE 468 -9.473 9.256 13.732 263 HG22 ILE 468 HG22 ILE 468 -8.789 9.054 15.344 264 HG23 ILE 468 HG23 ILE 468 -9.484 10.604 14.871 265 HD11 ILE 468 HD11 ILE 468 -11.185 11.674 14.223 266 HD12 ILE 468 HD12 ILE 468 -12.201 11.538 15.660 267 HD13 ILE 468 HD13 ILE 468 -12.940 11.647 14.063 268 H GLY 469 H GLY 469 -13.289 6.880 14.215 269 HA2 GLY 469 HA2 GLY 469 -12.375 5.341 12.017 270 HA3 GLY 469 HA3 GLY 469 -14.014 5.900 12.271 271 H VAL 470 H VAL 470 -11.975 5.796 9.937 272 HA VAL 470 HA VAL 470 -12.527 8.514 8.924 273 HB VAL 470 HB VAL 470 -9.981 6.933 8.477 274 HG11 VAL 470 HG11 VAL 470 -10.783 9.660 7.441 275 HG12 VAL 470 HG12 VAL 470 -10.590 8.192 6.480 276 HG13 VAL 470 HG13 VAL 470 -9.189 8.924 7.262 277 HG21 VAL 470 HG21 VAL 470 -10.090 7.925 10.708 278 HG22 VAL 470 HG22 VAL 470 -10.446 9.501 10.002 279 HG23 VAL 470 HG23 VAL 470 -8.880 8.738 9.715 280 HA PRO 471 HA PRO 471 -14.142 5.985 5.487 281 HB2 PRO 471 HB2 PRO 471 -15.729 7.863 4.422 282 HB3 PRO 471 HB3 PRO 471 -16.159 7.050 5.934 283 HG2 PRO 471 HG2 PRO 471 -14.930 9.758 5.525 284 HG3 PRO 471 HG3 PRO 471 -16.237 9.279 6.624 285 HD2 PRO 471 HD2 PRO 471 -13.610 9.576 7.392 286 HD3 PRO 471 HD3 PRO 471 -14.774 8.525 8.225 287 H SER 472 H SER 472 -12.109 8.688 5.518 288 HA SER 472 HA SER 472 -12.061 9.241 2.686 289 HB2 SER 472 HB2 SER 472 -11.714 11.005 4.438 290 HB3 SER 472 HB3 SER 472 -10.156 10.266 4.805 291 HG SER 472 HG SER 472 -9.333 11.146 3.073 292 H THR 473 H THR 473 -11.088 6.527 3.848 293 HA THR 473 HA THR 473 -8.199 6.684 3.522 294 HB THR 473 HB THR 473 -9.945 4.341 4.337 295 HG1 THR 473 HG1 THR 473 -8.302 5.546 6.208 296 HG21 THR 473 HG21 THR 473 -7.771 3.614 3.450 297 HG22 THR 473 HG22 THR 473 -7.881 3.333 5.188 298 HG23 THR 473 HG23 THR 473 -6.951 4.699 4.574 299 H LYS 474 H LYS 474 -8.013 6.976 1.294 300 HA LYS 474 HA LYS 474 -8.726 4.763 -0.487 301 HB2 LYS 474 HB2 LYS 474 -7.204 7.310 -1.113 302 HB3 LYS 474 HB3 LYS 474 -7.868 6.175 -2.280 303 HG2 LYS 474 HG2 LYS 474 -10.137 6.759 -1.540 304 HG3 LYS 474 HG3 LYS 474 -9.453 7.910 -0.388 305 HD2 LYS 474 HD2 LYS 474 -8.393 9.113 -2.296 306 HD3 LYS 474 HD3 LYS 474 -9.211 8.009 -3.402 307 HE2 LYS 474 HE2 LYS 474 -11.385 8.779 -2.524 308 HE3 LYS 474 HE3 LYS 474 -10.543 9.912 -1.468 309 HZ1 LYS 474 HZ1 LYS 474 -10.550 9.929 -4.435 310 HZ2 LYS 474 HZ2 LYS 474 -9.612 10.960 -3.479 311 HZ3 LYS 474 HZ3 LYS 474 -11.298 11.049 -3.417 312 H VAL 475 H VAL 475 -7.324 3.130 -0.883 313 HA VAL 475 HA VAL 475 -4.477 3.501 -0.161 314 HB VAL 475 HB VAL 475 -5.999 0.890 -0.386 315 HG11 VAL 475 HG11 VAL 475 -3.616 0.626 -0.790 316 HG12 VAL 475 HG12 VAL 475 -4.041 -0.061 0.778 317 HG13 VAL 475 HG13 VAL 475 -3.241 1.508 0.691 318 HG21 VAL 475 HG21 VAL 475 -5.228 2.450 2.089 319 HG22 VAL 475 HG22 VAL 475 -5.954 0.842 2.070 320 HG23 VAL 475 HG23 VAL 475 -6.864 2.229 1.469 321 H ARG 476 H ARG 476 -3.079 3.609 -1.826 322 HA ARG 476 HA ARG 476 -3.839 2.336 -4.390 323 HB2 ARG 476 HB2 ARG 476 -2.401 4.971 -3.977 324 HB3 ARG 476 HB3 ARG 476 -2.697 4.214 -5.538 325 HG2 ARG 476 HG2 ARG 476 -5.081 4.443 -5.252 326 HG3 ARG 476 HG3 ARG 476 -4.862 5.071 -3.619 327 HD2 ARG 476 HD2 ARG 476 -3.697 7.029 -4.534 328 HD3 ARG 476 HD3 ARG 476 -3.906 6.391 -6.166 329 HE ARG 476 HE ARG 476 -6.394 6.531 -5.593 330 HH11 ARG 476 HH11 ARG 476 -4.019 8.741 -4.457 331 HH12 ARG 476 HH12 ARG 476 -5.142 10.039 -4.287 332 HH21 ARG 476 HH21 ARG 476 -7.835 8.213 -5.392 333 HH22 ARG 476 HH22 ARG 476 -7.274 9.754 -4.829 334 H VAL 477 H VAL 477 -2.208 1.357 -5.619 335 HA VAL 477 HA VAL 477 0.431 1.086 -4.309 336 HB VAL 477 HB VAL 477 -1.087 -0.994 -5.910 337 HG11 VAL 477 HG11 VAL 477 1.676 -1.158 -4.690 338 HG12 VAL 477 HG12 VAL 477 1.292 -1.141 -6.412 339 HG13 VAL 477 HG13 VAL 477 0.793 -2.504 -5.411 340 HG21 VAL 477 HG21 VAL 477 -0.293 -0.915 -2.996 341 HG22 VAL 477 HG22 VAL 477 -1.052 -2.283 -3.812 342 HG23 VAL 477 HG23 VAL 477 -1.927 -0.761 -3.643 343 H TYR 478 H TYR 478 2.083 1.804 -5.456 344 HA TYR 478 HA TYR 478 1.826 2.125 -8.385 345 HB2 TYR 478 HB2 TYR 478 3.654 3.594 -6.458 346 HB3 TYR 478 HB3 TYR 478 3.538 3.884 -8.188 347 HD1 TYR 478 HD1 TYR 478 1.802 4.265 -4.955 348 HD2 TYR 478 HD2 TYR 478 1.755 5.217 -9.104 349 HE1 TYR 478 HE1 TYR 478 0.061 5.953 -4.543 350 HE2 TYR 478 HE2 TYR 478 0.022 6.914 -8.700 351 HH TYR 478 HH TYR 478 -0.798 7.991 -5.576 352 H ILE 479 H ILE 479 3.304 1.141 -9.693 353 HA ILE 479 HA ILE 479 5.591 -0.228 -8.421 354 HB ILE 479 HB ILE 479 4.063 -1.061 -10.900 355 HG12 ILE 479 HG12 ILE 479 4.303 -2.331 -8.156 356 HG13 ILE 479 HG13 ILE 479 2.869 -1.556 -8.819 357 HG21 ILE 479 HG21 ILE 479 6.456 -2.377 -9.596 358 HG22 ILE 479 HG22 ILE 479 6.468 -1.509 -11.133 359 HG23 ILE 479 HG23 ILE 479 5.548 -3.007 -10.972 360 HD11 ILE 479 HD11 ILE 479 2.657 -3.953 -8.919 361 HD12 ILE 479 HD12 ILE 479 4.162 -4.078 -9.830 362 HD13 ILE 479 HD13 ILE 479 2.758 -3.289 -10.548 363 H ASN 480 H ASN 480 7.314 1.031 -8.759 364 HA ASN 480 HA ASN 480 9.089 1.955 -9.843 365 HB2 ASN 480 HB2 ASN 480 8.864 -0.261 -11.058 366 HB3 ASN 480 HB3 ASN 480 7.992 0.602 -12.317 367 HD21 ASN 480 HD21 ASN 480 9.517 0.091 -13.850 368 HD22 ASN 480 HD22 ASN 480 11.071 0.830 -13.891 369 H GLY 481 H GLY 481 6.654 3.498 -9.652 370 HA2 GLY 481 HA2 GLY 481 6.383 5.770 -10.283 371 HA3 GLY 481 HA3 GLY 481 7.185 5.433 -11.805 372 H THR 482 H THR 482 5.191 2.950 -11.790 373 HA THR 482 HA THR 482 3.019 4.445 -13.135 374 HB THR 482 HB THR 482 3.781 1.517 -13.415 375 HG1 THR 482 HG1 THR 482 4.712 2.125 -15.337 376 HG21 THR 482 HG21 THR 482 2.243 1.533 -15.345 377 HG22 THR 482 HG22 THR 482 1.766 3.182 -14.944 378 HG23 THR 482 HG23 THR 482 1.398 1.863 -13.832 379 H LEU 483 H LEU 483 1.034 4.525 -12.199 380 HA LEU 483 HA LEU 483 0.355 3.194 -9.812 381 HB2 LEU 483 HB2 LEU 483 -0.785 5.228 -10.519 382 HB3 LEU 483 HB3 LEU 483 -1.439 4.406 -11.926 383 HG LEU 483 HG LEU 483 -2.776 2.948 -10.445 384 HD11 LEU 483 HD11 LEU 483 -1.706 4.666 -8.204 385 HD12 LEU 483 HD12 LEU 483 -1.322 2.966 -8.482 386 HD13 LEU 483 HD13 LEU 483 -2.967 3.442 -8.062 387 HD21 LEU 483 HD21 LEU 483 -3.172 5.901 -9.939 388 HD22 LEU 483 HD22 LEU 483 -4.388 4.641 -9.720 389 HD23 LEU 483 HD23 LEU 483 -3.769 4.996 -11.332 390 H TYR 484 H TYR 484 -0.414 1.199 -9.394 391 HA TYR 484 HA TYR 484 -0.886 -0.577 -11.696 392 HB2 TYR 484 HB2 TYR 484 0.991 -1.225 -10.316 393 HB3 TYR 484 HB3 TYR 484 -0.007 -1.176 -8.865 394 HD1 TYR 484 HD1 TYR 484 0.297 -2.919 -12.152 395 HD2 TYR 484 HD2 TYR 484 -1.063 -3.120 -8.120 396 HE1 TYR 484 HE1 TYR 484 -0.246 -5.295 -12.463 397 HE2 TYR 484 HE2 TYR 484 -1.612 -5.500 -8.420 398 HH TYR 484 HH TYR 484 -2.076 -7.088 -10.167 399 H LYS 485 H LYS 485 -2.228 0.239 -8.494 400 HA LYS 485 HA LYS 485 -4.876 -0.556 -9.289 401 HB2 LYS 485 HB2 LYS 485 -3.646 -2.730 -8.731 402 HB3 LYS 485 HB3 LYS 485 -3.623 -2.173 -7.064 403 HG2 LYS 485 HG2 LYS 485 -6.060 -2.150 -7.021 404 HG3 LYS 485 HG3 LYS 485 -6.104 -2.654 -8.714 405 HD2 LYS 485 HD2 LYS 485 -4.813 -4.704 -8.031 406 HD3 LYS 485 HD3 LYS 485 -5.061 -4.221 -6.352 407 HE2 LYS 485 HE2 LYS 485 -6.735 -5.837 -6.917 408 HE3 LYS 485 HE3 LYS 485 -7.524 -4.266 -6.779 409 HZ1 LYS 485 HZ1 LYS 485 -7.513 -4.078 -9.185 410 HZ2 LYS 485 HZ2 LYS 485 -8.283 -5.511 -8.720 411 HZ3 LYS 485 HZ3 LYS 485 -6.708 -5.558 -9.331 412 H ASN 486 H ASN 486 -6.495 -0.118 -7.578 413 HA ASN 486 HA ASN 486 -5.516 1.327 -5.231 414 HB2 ASN 486 HB2 ASN 486 -6.844 3.299 -5.644 415 HB3 ASN 486 HB3 ASN 486 -5.811 3.022 -7.042 416 HD21 ASN 486 HD21 ASN 486 -6.776 2.162 -8.952 417 HD22 ASN 486 HD22 ASN 486 -8.462 2.375 -9.246 418 H TRP 487 H TRP 487 -7.131 1.671 -3.594 419 HA TRP 487 HA TRP 487 -9.657 0.186 -3.885 420 HB2 TRP 487 HB2 TRP 487 -7.733 -0.065 -1.552 421 HB3 TRP 487 HB3 TRP 487 -9.365 -0.718 -1.576 422 HD1 TRP 487 HD1 TRP 487 -9.797 -2.833 -3.256 423 HE1 TRP 487 HE1 TRP 487 -8.165 -4.645 -4.084 424 HE3 TRP 487 HE3 TRP 487 -5.376 -0.476 -2.236 425 HZ2 TRP 487 HZ2 TRP 487 -5.378 -5.021 -4.280 426 HZ3 TRP 487 HZ3 TRP 487 -3.274 -1.634 -2.770 427 HH2 TRP 487 HH2 TRP 487 -3.277 -3.855 -3.773 428 H THR 488 H THR 488 -11.383 1.009 -2.655 429 HA THR 488 HA THR 488 -10.798 3.432 -1.044 430 HB THR 488 HB THR 488 -13.396 2.793 -2.478 431 HG1 THR 488 HG1 THR 488 -11.469 4.809 -3.093 432 HG21 THR 488 HG21 THR 488 -13.720 4.122 -0.436 433 HG22 THR 488 HG22 THR 488 -14.039 5.085 -1.879 434 HG23 THR 488 HG23 THR 488 -12.522 5.287 -1.003 435 H VAL 489 H VAL 489 -11.074 3.128 1.081 436 HA VAL 489 HA VAL 489 -13.144 1.297 2.072 437 HB VAL 489 HB VAL 489 -11.559 0.208 3.637 438 HG11 VAL 489 HG11 VAL 489 -10.495 -1.298 2.023 439 HG12 VAL 489 HG12 VAL 489 -10.824 -0.148 0.728 440 HG13 VAL 489 HG13 VAL 489 -12.160 -0.936 1.566 441 HG21 VAL 489 HG21 VAL 489 -9.831 1.929 3.709 442 HG22 VAL 489 HG22 VAL 489 -9.417 1.610 2.022 443 HG23 VAL 489 HG23 VAL 489 -9.135 0.375 3.251 444 H SER 490 H SER 490 -13.173 1.352 4.564 445 HA SER 490 HA SER 490 -12.284 3.964 5.617 446 HB2 SER 490 HB2 SER 490 -14.324 4.123 6.974 447 HB3 SER 490 HB3 SER 490 -14.727 4.048 5.261 448 HG SER 490 HG SER 490 -15.190 1.815 5.551 449 H LEU 491 H LEU 491 -11.393 3.950 7.651 450 HA LEU 491 HA LEU 491 -11.132 1.305 8.956 451 HB2 LEU 491 HB2 LEU 491 -9.153 3.574 8.745 452 HB3 LEU 491 HB3 LEU 491 -8.954 2.238 9.866 453 HG LEU 491 HG LEU 491 -9.073 1.980 6.851 454 HD11 LEU 491 HD11 LEU 491 -7.016 3.063 7.590 455 HD12 LEU 491 HD12 LEU 491 -6.691 1.427 7.024 456 HD13 LEU 491 HD13 LEU 491 -6.736 1.767 8.755 457 HD21 LEU 491 HD21 LEU 491 -9.961 0.010 7.977 458 HD22 LEU 491 HD22 LEU 491 -8.526 -0.070 9.003 459 HD23 LEU 491 HD23 LEU 491 -8.387 -0.343 7.266 460 H GLY 492 H GLY 492 -12.069 1.150 10.877 461 HA2 GLY 492 HA2 GLY 492 -12.989 3.462 12.331 462 HA3 GLY 492 HA3 GLY 492 -13.164 1.782 12.811 463 HA PRO 493 HA PRO 493 -10.087 3.998 15.615 464 HB2 PRO 493 HB2 PRO 493 -11.130 2.897 17.922 465 HB3 PRO 493 HB3 PRO 493 -11.595 4.467 17.258 466 HG2 PRO 493 HG2 PRO 493 -12.973 1.822 17.009 467 HG3 PRO 493 HG3 PRO 493 -13.671 3.433 17.269 468 HD2 PRO 493 HD2 PRO 493 -13.699 2.248 14.851 469 HD3 PRO 493 HD3 PRO 493 -13.505 4.004 15.025 470 H LYS 494 H LYS 494 -8.243 2.900 15.243 471 HA LYS 494 HA LYS 494 -6.554 1.415 15.543 472 HB2 LYS 494 HB2 LYS 494 -8.396 0.194 17.609 473 HB3 LYS 494 HB3 LYS 494 -6.697 -0.210 17.406 474 HG2 LYS 494 HG2 LYS 494 -7.785 2.505 18.168 475 HG3 LYS 494 HG3 LYS 494 -7.043 1.334 19.270 476 HD2 LYS 494 HD2 LYS 494 -5.019 1.485 17.613 477 HD3 LYS 494 HD3 LYS 494 -5.776 3.002 17.122 478 HE2 LYS 494 HE2 LYS 494 -4.841 2.249 19.893 479 HE3 LYS 494 HE3 LYS 494 -4.116 3.442 18.819 480 HZ1 LYS 494 HZ1 LYS 494 -5.518 4.384 20.606 481 HZ2 LYS 494 HZ2 LYS 494 -6.869 3.650 19.907 482 HZ3 LYS 494 HZ3 LYS 494 -6.012 4.840 19.060 483 H GLU 495 H GLU 495 -8.677 0.953 13.582 484 HA GLU 495 HA GLU 495 -8.921 -1.973 13.476 485 HB2 GLU 495 HB2 GLU 495 -10.968 -0.641 13.306 486 HB3 GLU 495 HB3 GLU 495 -10.315 0.215 11.919 487 HG2 GLU 495 HG2 GLU 495 -10.471 -1.691 10.538 488 HG3 GLU 495 HG3 GLU 495 -10.748 -2.760 11.913 489 H GLU 496 H GLU 496 -8.280 -3.189 11.679 490 HA GLU 496 HA GLU 496 -6.691 -1.806 9.601 491 HB2 GLU 496 HB2 GLU 496 -5.091 -2.853 11.082 492 HB3 GLU 496 HB3 GLU 496 -5.973 -4.377 11.034 493 HG2 GLU 496 HG2 GLU 496 -5.457 -4.607 8.647 494 HG3 GLU 496 HG3 GLU 496 -4.590 -3.076 8.685 495 H LYS 497 H LYS 497 -6.857 -2.582 7.519 496 HA LYS 497 HA LYS 497 -8.523 -4.988 7.059 497 HB2 LYS 497 HB2 LYS 497 -8.244 -2.607 5.201 498 HB3 LYS 497 HB3 LYS 497 -9.281 -4.005 4.960 499 HG2 LYS 497 HG2 LYS 497 -9.570 -1.989 7.185 500 HG3 LYS 497 HG3 LYS 497 -10.514 -2.003 5.697 501 HD2 LYS 497 HD2 LYS 497 -10.448 -4.263 7.703 502 HD3 LYS 497 HD3 LYS 497 -11.684 -3.006 7.658 503 HE2 LYS 497 HE2 LYS 497 -12.239 -3.700 5.339 504 HE3 LYS 497 HE3 LYS 497 -11.075 -5.016 5.488 505 HZ1 LYS 497 HZ1 LYS 497 -13.378 -5.701 5.930 506 HZ2 LYS 497 HZ2 LYS 497 -13.431 -4.646 7.252 507 HZ3 LYS 497 HZ3 LYS 497 -12.363 -5.957 7.259 508 H VAL 498 H VAL 498 -7.647 -6.557 5.725 509 HA VAL 498 HA VAL 498 -4.899 -6.066 4.785 510 HB VAL 498 HB VAL 498 -6.345 -8.710 5.105 511 HG11 VAL 498 HG11 VAL 498 -4.105 -9.708 4.854 512 HG12 VAL 498 HG12 VAL 498 -3.435 -8.108 4.531 513 HG13 VAL 498 HG13 VAL 498 -4.598 -8.822 3.412 514 HG21 VAL 498 HG21 VAL 498 -4.292 -7.394 6.895 515 HG22 VAL 498 HG22 VAL 498 -4.916 -9.034 7.084 516 HG23 VAL 498 HG23 VAL 498 -5.997 -7.653 7.271 517 H LEU 499 H LEU 499 -4.749 -5.463 2.740 518 HA LEU 499 HA LEU 499 -6.725 -6.398 0.766 519 HB2 LEU 499 HB2 LEU 499 -4.713 -4.148 0.550 520 HB3 LEU 499 HB3 LEU 499 -5.998 -4.507 -0.591 521 HG LEU 499 HG LEU 499 -6.438 -3.624 2.272 522 HD11 LEU 499 HD11 LEU 499 -7.130 -1.483 1.330 523 HD12 LEU 499 HD12 LEU 499 -6.696 -2.040 -0.286 524 HD13 LEU 499 HD13 LEU 499 -5.446 -1.835 0.942 525 HD21 LEU 499 HD21 LEU 499 -8.262 -5.001 1.422 526 HD22 LEU 499 HD22 LEU 499 -8.386 -3.981 -0.013 527 HD23 LEU 499 HD23 LEU 499 -8.768 -3.319 1.577 528 H THR 500 H THR 500 -6.054 -7.332 -1.208 529 HA THR 500 HA THR 500 -3.204 -8.101 -1.360 530 HB THR 500 HB THR 500 -3.992 -10.317 -2.339 531 HG1 THR 500 HG1 THR 500 -6.078 -10.970 -1.848 532 HG21 THR 500 HG21 THR 500 -2.998 -10.179 -0.117 533 HG22 THR 500 HG22 THR 500 -4.297 -11.372 -0.151 534 HG23 THR 500 HG23 THR 500 -4.573 -9.787 0.578 535 H PHE 501 H PHE 501 -2.373 -8.577 -3.409 536 HA PHE 501 HA PHE 501 -4.045 -8.389 -5.756 537 HB2 PHE 501 HB2 PHE 501 -2.757 -6.613 -6.848 538 HB3 PHE 501 HB3 PHE 501 -3.505 -6.016 -5.373 539 HD1 PHE 501 HD1 PHE 501 -2.111 -5.559 -3.375 540 HD2 PHE 501 HD2 PHE 501 -0.378 -6.675 -7.107 541 HE1 PHE 501 HE1 PHE 501 0.074 -4.724 -2.612 542 HE2 PHE 501 HE2 PHE 501 1.806 -5.845 -6.341 543 HZ PHE 501 HZ PHE 501 2.035 -4.866 -4.094 544 H SER 502 H SER 502 -3.073 -9.302 -7.602 545 HA SER 502 HA SER 502 -0.533 -10.725 -7.086 546 HB2 SER 502 HB2 SER 502 -1.399 -12.473 -8.663 547 HB3 SER 502 HB3 SER 502 -2.351 -12.315 -7.188 548 HG SER 502 HG SER 502 -3.418 -12.383 -9.419 549 H TRP 503 H TRP 503 1.095 -9.989 -8.269 550 HA TRP 503 HA TRP 503 0.522 -8.491 -10.739 551 HB2 TRP 503 HB2 TRP 503 1.623 -7.212 -8.980 552 HB3 TRP 503 HB3 TRP 503 2.909 -8.406 -8.878 553 HD1 TRP 503 HD1 TRP 503 1.481 -6.552 -11.992 554 HE1 TRP 503 HE1 TRP 503 3.446 -5.417 -13.206 555 HE3 TRP 503 HE3 TRP 503 5.253 -7.809 -8.778 556 HZ2 TRP 503 HZ2 TRP 503 6.226 -5.092 -12.844 557 HZ3 TRP 503 HZ3 TRP 503 7.536 -7.040 -9.281 558 HH2 TRP 503 HH2 TRP 503 8.010 -5.709 -11.275 559 H THR 504 H THR 504 1.373 -9.069 -12.677 560 HA THR 504 HA THR 504 3.278 -11.336 -12.739 561 HB THR 504 HB THR 504 1.190 -10.614 -14.817 562 HG1 THR 504 HG1 THR 504 1.392 -12.725 -12.912 563 HG21 THR 504 HG21 THR 504 3.212 -11.542 -15.857 564 HG22 THR 504 HG22 THR 504 1.875 -12.690 -15.946 565 HG23 THR 504 HG23 THR 504 3.157 -12.916 -14.754 566 HA PRO 505 HA PRO 505 5.695 -7.986 -14.675 567 HB2 PRO 505 HB2 PRO 505 8.116 -8.829 -13.873 568 HB3 PRO 505 HB3 PRO 505 7.001 -8.031 -12.759 569 HG2 PRO 505 HG2 PRO 505 7.596 -10.950 -13.075 570 HG3 PRO 505 HG3 PRO 505 7.375 -10.008 -11.589 571 HD2 PRO 505 HD2 PRO 505 5.424 -11.582 -12.744 572 HD3 PRO 505 HD3 PRO 505 5.094 -10.209 -11.669 573 H THR 506 H THR 506 5.385 -8.503 -16.851 574 HA THR 506 HA THR 506 6.516 -10.869 -18.040 575 HB THR 506 HB THR 506 5.786 -9.813 -20.213 576 HG1 THR 506 HG1 THR 506 5.498 -7.719 -20.080 577 HG21 THR 506 HG21 THR 506 3.389 -10.097 -19.766 578 HG22 THR 506 HG22 THR 506 3.697 -10.014 -18.030 579 HG23 THR 506 HG23 THR 506 4.336 -11.360 -18.978 580 H GLN 507 H GLN 507 7.505 -7.490 -17.781 581 HA GLN 507 HA GLN 507 9.965 -8.123 -19.270 582 HB2 GLN 507 HB2 GLN 507 8.772 -5.499 -18.362 583 HB3 GLN 507 HB3 GLN 507 10.452 -5.619 -18.863 584 HG2 GLN 507 HG2 GLN 507 9.384 -4.907 -20.780 585 HG3 GLN 507 HG3 GLN 507 9.524 -6.642 -21.032 586 HE21 GLN 507 HE21 GLN 507 7.354 -4.010 -20.364 587 HE22 GLN 507 HE22 GLN 507 5.896 -4.872 -20.703 588 H GLU 508 H GLU 508 11.890 -8.357 -18.299 589 HA GLU 508 HA GLU 508 11.886 -8.543 -15.392 590 HB2 GLU 508 HB2 GLU 508 14.205 -9.575 -15.793 591 HB3 GLU 508 HB3 GLU 508 12.795 -10.471 -16.330 592 HG2 GLU 508 HG2 GLU 508 14.407 -10.687 -18.029 593 HG3 GLU 508 HG3 GLU 508 13.202 -9.557 -18.634 594 H GLY 509 H GLY 509 13.477 -7.618 -14.022 595 HA2 GLY 509 HA2 GLY 509 15.547 -6.002 -14.357 596 HA3 GLY 509 HA3 GLY 509 14.262 -4.940 -14.912 597 H MET 510 H MET 510 15.237 -3.656 -13.051 598 HA MET 510 HA MET 510 14.406 -4.564 -10.401 599 HB2 MET 510 HB2 MET 510 16.645 -3.561 -10.704 600 HB3 MET 510 HB3 MET 510 15.892 -2.056 -11.219 601 HG2 MET 510 HG2 MET 510 16.635 -1.970 -8.890 602 HG3 MET 510 HG3 MET 510 14.886 -1.772 -9.033 603 HE1 MET 510 HE1 MET 510 14.482 -2.301 -6.467 604 HE2 MET 510 HE2 MET 510 16.233 -2.391 -6.272 605 HE3 MET 510 HE3 MET 510 15.207 -3.676 -5.636 606 H TYR 511 H TYR 511 12.548 -3.968 -9.467 607 HA TYR 511 HA TYR 511 11.187 -1.503 -10.370 608 HB2 TYR 511 HB2 TYR 511 9.919 -4.198 -9.801 609 HB3 TYR 511 HB3 TYR 511 9.009 -2.709 -10.024 610 HD1 TYR 511 HD1 TYR 511 11.257 -5.119 -11.732 611 HD2 TYR 511 HD2 TYR 511 8.507 -1.902 -12.205 612 HE1 TYR 511 HE1 TYR 511 11.204 -5.528 -14.155 613 HE2 TYR 511 HE2 TYR 511 8.446 -2.307 -14.629 614 HH TYR 511 HH TYR 511 9.798 -5.130 -16.057 615 H ARG 512 H ARG 512 9.930 -0.408 -8.778 616 HA ARG 512 HA ARG 512 10.264 -1.376 -6.004 617 HB2 ARG 512 HB2 ARG 512 11.719 0.511 -6.262 618 HB3 ARG 512 HB3 ARG 512 10.458 1.456 -7.042 619 HG2 ARG 512 HG2 ARG 512 9.256 1.696 -5.004 620 HG3 ARG 512 HG3 ARG 512 10.262 0.496 -4.193 621 HD2 ARG 512 HD2 ARG 512 11.296 3.123 -5.264 622 HD3 ARG 512 HD3 ARG 512 10.784 2.869 -3.595 623 HE ARG 512 HE ARG 512 12.649 0.900 -4.176 624 HH11 ARG 512 HH11 ARG 512 12.598 4.345 -3.979 625 HH12 ARG 512 HH12 ARG 512 14.250 4.438 -3.478 626 HH21 ARG 512 HH21 ARG 512 14.733 1.034 -3.539 627 HH22 ARG 512 HH22 ARG 512 15.460 2.582 -3.248 628 H ILE 513 H ILE 513 8.394 -1.850 -5.054 629 HA ILE 513 HA ILE 513 5.898 -0.695 -6.079 630 HB ILE 513 HB ILE 513 6.324 -2.973 -4.128 631 HG12 ILE 513 HG12 ILE 513 5.570 -2.966 -7.067 632 HG13 ILE 513 HG13 ILE 513 7.077 -3.554 -6.376 633 HG21 ILE 513 HG21 ILE 513 3.785 -1.967 -5.422 634 HG22 ILE 513 HG22 ILE 513 4.204 -1.862 -3.712 635 HG23 ILE 513 HG23 ILE 513 3.924 -3.436 -4.455 636 HD11 ILE 513 HD11 ILE 513 5.867 -5.336 -5.236 637 HD12 ILE 513 HD12 ILE 513 5.598 -5.384 -6.977 638 HD13 ILE 513 HD13 ILE 513 4.348 -4.744 -5.910 639 H ASN 514 H ASN 514 4.837 0.860 -5.026 640 HA ASN 514 HA ASN 514 5.418 1.331 -2.170 641 HB2 ASN 514 HB2 ASN 514 5.029 3.333 -4.399 642 HB3 ASN 514 HB3 ASN 514 4.876 3.773 -2.701 643 HD21 ASN 514 HD21 ASN 514 6.691 3.773 -1.400 644 HD22 ASN 514 HD22 ASN 514 8.289 3.775 -2.052 645 H ALA 515 H ALA 515 3.723 1.834 -0.828 646 HA ALA 515 HA ALA 515 1.014 1.931 -2.013 647 HB1 ALA 515 HB1 ALA 515 1.357 -0.202 -0.849 648 HB2 ALA 515 HB2 ALA 515 0.145 0.790 -0.035 649 HB3 ALA 515 HB3 ALA 515 1.777 0.670 0.627 650 H THR 516 H THR 516 -0.269 3.601 -1.368 651 HA THR 516 HA THR 516 0.610 5.268 0.900 652 HB THR 516 HB THR 516 0.141 7.326 -0.437 653 HG1 THR 516 HG1 THR 516 0.118 7.048 -2.749 654 HG21 THR 516 HG21 THR 516 2.450 6.605 -0.134 655 HG22 THR 516 HG22 THR 516 2.233 7.282 -1.747 656 HG23 THR 516 HG23 THR 516 2.322 5.534 -1.531 657 H VAL 517 H VAL 517 -1.011 6.537 1.882 658 HA VAL 517 HA VAL 517 -3.782 6.010 1.008 659 HB VAL 517 HB VAL 517 -3.317 4.575 2.927 660 HG11 VAL 517 HG11 VAL 517 -2.780 5.486 5.124 661 HG12 VAL 517 HG12 VAL 517 -2.683 7.108 4.439 662 HG13 VAL 517 HG13 VAL 517 -1.520 5.874 3.952 663 HG21 VAL 517 HG21 VAL 517 -5.573 5.457 2.699 664 HG22 VAL 517 HG22 VAL 517 -5.133 6.885 3.637 665 HG23 VAL 517 HG23 VAL 517 -5.145 5.296 4.402 666 H ASP 518 H ASP 518 -5.332 7.609 1.484 667 HA ASP 518 HA ASP 518 -6.073 9.746 1.287 668 HB2 ASP 518 HB2 ASP 518 -5.791 9.382 3.798 669 HB3 ASP 518 HB3 ASP 518 -4.328 10.358 3.677 670 H GLU 519 H GLU 519 -3.979 9.286 -0.443 671 HA GLU 519 HA GLU 519 -1.957 11.144 -0.630 672 HB2 GLU 519 HB2 GLU 519 -3.721 9.966 -2.780 673 HB3 GLU 519 HB3 GLU 519 -2.323 10.968 -3.146 674 HG2 GLU 519 HG2 GLU 519 -2.186 8.439 -1.518 675 HG3 GLU 519 HG3 GLU 519 -1.941 8.498 -3.265 676 H GLU 520 H GLU 520 -5.366 11.633 -1.044 677 HA GLU 520 HA GLU 520 -5.305 14.086 -2.456 678 HB2 GLU 520 HB2 GLU 520 -7.566 13.580 -0.576 679 HB3 GLU 520 HB3 GLU 520 -7.600 14.085 -2.257 680 HG2 GLU 520 HG2 GLU 520 -7.077 11.276 -1.281 681 HG3 GLU 520 HG3 GLU 520 -8.608 11.878 -1.892 682 H ASN 521 H ASN 521 -4.823 13.261 0.875 683 HA ASN 521 HA ASN 521 -4.317 14.415 2.739 684 HB2 ASN 521 HB2 ASN 521 -2.667 15.546 1.200 685 HB3 ASN 521 HB3 ASN 521 -3.856 16.823 0.958 686 HD21 ASN 521 HD21 ASN 521 -1.213 17.048 2.090 687 HD22 ASN 521 HD22 ASN 521 -1.419 17.665 3.691 688 H THR 522 H THR 522 -6.476 14.196 3.422 689 HA THR 522 HA THR 522 -8.187 16.589 3.107 690 HB THR 522 HB THR 522 -10.095 15.179 3.652 691 HG1 THR 522 HG1 THR 522 -8.308 12.949 3.744 692 HG21 THR 522 HG21 THR 522 -10.079 13.668 1.712 693 HG22 THR 522 HG22 THR 522 -8.332 13.876 1.564 694 HG23 THR 522 HG23 THR 522 -9.411 15.247 1.301 695 H VAL 523 H VAL 523 -6.534 14.573 5.422 696 HA VAL 523 HA VAL 523 -7.602 16.241 7.610 697 HB VAL 523 HB VAL 523 -8.863 14.151 7.620 698 HG11 VAL 523 HG11 VAL 523 -7.257 12.675 6.551 699 HG12 VAL 523 HG12 VAL 523 -7.760 12.000 8.100 700 HG13 VAL 523 HG13 VAL 523 -6.187 12.784 7.948 701 HG21 VAL 523 HG21 VAL 523 -8.482 13.497 9.946 702 HG22 VAL 523 HG22 VAL 523 -8.393 15.249 9.760 703 HG23 VAL 523 HG23 VAL 523 -6.913 14.302 9.927 704 H VAL 524 H VAL 524 -6.194 16.822 9.195 705 HA VAL 524 HA VAL 524 -3.392 16.085 8.963 706 HB VAL 524 HB VAL 524 -4.808 17.859 10.974 707 HG11 VAL 524 HG11 VAL 524 -2.771 16.946 11.942 708 HG12 VAL 524 HG12 VAL 524 -2.566 18.662 11.588 709 HG13 VAL 524 HG13 VAL 524 -1.846 17.449 10.525 710 HG21 VAL 524 HG21 VAL 524 -3.149 18.560 8.546 711 HG22 VAL 524 HG22 VAL 524 -3.779 19.716 9.721 712 HG23 VAL 524 HG23 VAL 524 -4.891 18.778 8.723 713 H GLU 525 H GLU 525 -2.631 14.271 9.862 714 HA GLU 525 HA GLU 525 -4.164 13.012 12.030 715 HB2 GLU 525 HB2 GLU 525 -2.104 11.819 10.164 716 HB3 GLU 525 HB3 GLU 525 -3.025 10.933 11.373 717 HG2 GLU 525 HG2 GLU 525 -5.104 11.804 10.125 718 HG3 GLU 525 HG3 GLU 525 -3.982 12.174 8.816 719 H LEU 526 H LEU 526 -2.700 11.471 13.414 720 HA LEU 526 HA LEU 526 -1.072 13.049 15.079 721 HB2 LEU 526 HB2 LEU 526 -1.133 10.034 14.795 722 HB3 LEU 526 HB3 LEU 526 -0.393 10.906 16.125 723 HG LEU 526 HG LEU 526 -3.347 10.910 15.463 724 HD11 LEU 526 HD11 LEU 526 -1.857 9.555 17.717 725 HD12 LEU 526 HD12 LEU 526 -2.574 8.746 16.323 726 HD13 LEU 526 HD13 LEU 526 -3.608 9.575 17.485 727 HD21 LEU 526 HD21 LEU 526 -1.835 12.130 17.780 728 HD22 LEU 526 HD22 LEU 526 -3.591 12.049 17.630 729 HD23 LEU 526 HD23 LEU 526 -2.654 13.008 16.487 730 H ASN 527 H ASN 527 -0.228 10.750 12.521 731 HA ASN 527 HA ASN 527 2.299 12.191 12.170 732 HB2 ASN 527 HB2 ASN 527 2.926 10.242 13.482 733 HB3 ASN 527 HB3 ASN 527 2.055 9.175 12.385 734 HD21 ASN 527 HD21 ASN 527 4.042 8.034 12.186 735 HD22 ASN 527 HD22 ASN 527 5.267 8.600 11.108 736 H GLU 528 H GLU 528 1.608 13.150 10.313 737 HA GLU 528 HA GLU 528 0.219 11.631 8.273 738 HB2 GLU 528 HB2 GLU 528 0.694 14.134 7.160 739 HB3 GLU 528 HB3 GLU 528 -0.763 13.620 7.989 740 HG2 GLU 528 HG2 GLU 528 -0.036 15.750 8.833 741 HG3 GLU 528 HG3 GLU 528 0.117 14.527 10.090 742 H ASN 529 H ASN 529 3.301 11.529 8.975 743 HA ASN 529 HA ASN 529 4.150 11.336 6.154 744 HB2 ASN 529 HB2 ASN 529 5.661 12.535 7.746 745 HB3 ASN 529 HB3 ASN 529 5.821 11.049 8.673 746 HD21 ASN 529 HD21 ASN 529 6.553 12.616 5.648 747 HD22 ASN 529 HD22 ASN 529 7.834 11.552 5.194 748 H ASN 530 H ASN 530 2.636 9.556 8.422 749 HA ASN 530 HA ASN 530 4.076 7.042 8.174 750 HB2 ASN 530 HB2 ASN 530 2.968 7.946 10.289 751 HB3 ASN 530 HB3 ASN 530 1.426 7.560 9.541 752 HD21 ASN 530 HD21 ASN 530 0.944 6.124 11.190 753 HD22 ASN 530 HD22 ASN 530 1.704 4.573 11.291 754 H ASN 531 H ASN 531 2.013 8.617 6.193 755 HA ASN 531 HA ASN 531 0.129 6.507 5.594 756 HB2 ASN 531 HB2 ASN 531 0.571 9.038 4.010 757 HB3 ASN 531 HB3 ASN 531 -0.889 8.056 4.104 758 HD21 ASN 531 HD21 ASN 531 -2.118 8.115 6.039 759 HD22 ASN 531 HD22 ASN 531 -2.006 9.459 7.114 760 H VAL 532 H VAL 532 3.305 7.005 4.657 761 HA VAL 532 HA VAL 532 2.879 5.822 1.977 762 HB VAL 532 HB VAL 532 5.263 7.418 2.952 763 HG11 VAL 532 HG11 VAL 532 4.629 6.363 0.187 764 HG12 VAL 532 HG12 VAL 532 5.889 5.759 1.263 765 HG13 VAL 532 HG13 VAL 532 5.997 7.394 0.611 766 HG21 VAL 532 HG21 VAL 532 4.469 9.176 1.432 767 HG22 VAL 532 HG22 VAL 532 3.286 8.828 2.693 768 HG23 VAL 532 HG23 VAL 532 3.041 8.209 1.059 769 H ALA 533 H ALA 533 3.851 3.939 1.431 770 HA ALA 533 HA ALA 533 5.895 2.786 3.232 771 HB1 ALA 533 HB1 ALA 533 3.637 1.259 1.921 772 HB2 ALA 533 HB2 ALA 533 3.746 1.672 3.632 773 HB3 ALA 533 HB3 ALA 533 4.921 0.568 2.916 774 H THR 534 H THR 534 7.567 1.659 2.238 775 HA THR 534 HA THR 534 7.614 1.660 -0.724 776 HB THR 534 HB THR 534 9.902 2.408 1.125 777 HG1 THR 534 HG1 THR 534 9.479 4.438 0.569 778 HG21 THR 534 HG21 THR 534 9.852 2.260 -1.900 779 HG22 THR 534 HG22 THR 534 10.698 1.140 -0.831 780 HG23 THR 534 HG23 THR 534 11.195 2.830 -0.910 781 H PHE 535 H PHE 535 8.257 -0.203 -1.672 782 HA PHE 535 HA PHE 535 9.908 -2.121 -0.185 783 HB2 PHE 535 HB2 PHE 535 7.534 -2.763 0.172 784 HB3 PHE 535 HB3 PHE 535 7.323 -2.889 -1.571 785 HD1 PHE 535 HD1 PHE 535 9.400 -4.245 1.215 786 HD2 PHE 535 HD2 PHE 535 7.658 -4.943 -2.611 787 HE1 PHE 535 HE1 PHE 535 10.124 -6.591 1.316 788 HE2 PHE 535 HE2 PHE 535 8.389 -7.290 -2.513 789 HZ PHE 535 HZ PHE 535 9.620 -8.116 -0.550 790 H ASP 536 H ASP 536 11.485 -2.968 -1.440 791 HA ASP 536 HA ASP 536 11.485 -2.344 -4.299 792 HB2 ASP 536 HB2 ASP 536 13.649 -3.320 -2.425 793 HB3 ASP 536 HB3 ASP 536 13.892 -3.088 -4.152 794 H VAL 537 H VAL 537 11.371 -3.831 -5.905 795 HA VAL 537 HA VAL 537 11.467 -6.700 -5.205 796 HB VAL 537 HB VAL 537 9.510 -5.418 -7.135 797 HG11 VAL 537 HG11 VAL 537 9.840 -8.310 -6.312 798 HG12 VAL 537 HG12 VAL 537 10.199 -7.625 -7.898 799 HG13 VAL 537 HG13 VAL 537 8.535 -7.675 -7.316 800 HG21 VAL 537 HG21 VAL 537 9.007 -6.721 -4.453 801 HG22 VAL 537 HG22 VAL 537 7.774 -6.101 -5.552 802 HG23 VAL 537 HG23 VAL 537 8.917 -4.993 -4.794 803 H SER 538 H SER 538 12.838 -7.860 -6.427 804 HA SER 538 HA SER 538 13.897 -6.662 -8.909 805 HB2 SER 538 HB2 SER 538 15.601 -7.205 -7.241 806 HB3 SER 538 HB3 SER 538 15.038 -8.874 -7.171 807 HG SER 538 HG SER 538 16.928 -8.334 -8.574 808 H VAL 539 H VAL 539 13.189 -7.444 -10.797 809 HA VAL 539 HA VAL 539 11.885 -10.079 -10.868 810 HB VAL 539 HB VAL 539 11.879 -7.904 -12.979 811 HG11 VAL 539 HG11 VAL 539 11.505 -10.128 -13.912 812 HG12 VAL 539 HG12 VAL 539 10.022 -9.176 -13.966 813 HG13 VAL 539 HG13 VAL 539 10.224 -10.424 -12.736 814 HG21 VAL 539 HG21 VAL 539 10.753 -7.174 -10.922 815 HG22 VAL 539 HG22 VAL 539 9.744 -8.620 -10.959 816 HG23 VAL 539 HG23 VAL 539 9.601 -7.412 -12.236 817 H VAL 540 H VAL 540 12.972 -11.772 -11.626 818 HA VAL 540 HA VAL 540 15.226 -11.329 -13.491 819 HB VAL 540 HB VAL 540 16.322 -13.308 -12.518 820 HG11 VAL 540 HG11 VAL 540 16.897 -11.102 -11.651 821 HG12 VAL 540 HG12 VAL 540 16.968 -12.308 -10.367 822 HG13 VAL 540 HG13 VAL 540 15.592 -11.208 -10.468 823 HG21 VAL 540 HG21 VAL 540 15.476 -14.275 -10.407 824 HG22 VAL 540 HG22 VAL 540 14.367 -14.535 -11.754 825 HG23 VAL 540 HG23 VAL 540 14.020 -13.290 -10.556 826 H LEU 541 H LEU 541 15.810 -13.331 -14.769 827 HA LEU 541 HA LEU 541 13.466 -14.316 -16.148 828 HB2 LEU 541 HB2 LEU 541 16.415 -14.792 -16.532 829 HB3 LEU 541 HB3 LEU 541 15.184 -15.472 -17.576 830 HG LEU 541 HG LEU 541 15.649 -12.504 -17.186 831 HD11 LEU 541 HD11 LEU 541 16.604 -12.548 -19.444 832 HD12 LEU 541 HD12 LEU 541 16.462 -14.307 -19.471 833 HD13 LEU 541 HD13 LEU 541 17.546 -13.526 -18.319 834 HD21 LEU 541 HD21 LEU 541 13.345 -13.030 -17.786 835 HD22 LEU 541 HD22 LEU 541 13.901 -14.014 -19.140 836 HD23 LEU 541 HD23 LEU 541 14.175 -12.270 -19.142 837 H GLU 542 H GLU 542 13.983 -15.252 -13.374 838 HA GLU 542 HA GLU 542 13.725 -17.106 -12.101 839 HB2 GLU 542 HB2 GLU 542 13.177 -18.465 -14.750 840 HB3 GLU 542 HB3 GLU 542 13.008 -19.255 -13.188 841 HG2 GLU 542 HG2 GLU 542 11.336 -17.509 -12.562 842 HG3 GLU 542 HG3 GLU 542 11.431 -16.897 -14.214 Start of MODEL 4 1 H1 MET 435 H1 MET 435 -10.387 17.544 20.649 2 H2 MET 435 H2 MET 435 -11.409 16.208 20.479 3 H3 MET 435 H3 MET 435 -12.024 17.772 20.278 4 HA MET 435 HA MET 435 -11.749 16.722 18.149 5 HB2 MET 435 HB2 MET 435 -11.335 19.167 18.356 6 HB3 MET 435 HB3 MET 435 -9.627 18.838 18.615 7 HG2 MET 435 HG2 MET 435 -9.431 17.906 16.389 8 HG3 MET 435 HG3 MET 435 -11.160 18.123 16.120 9 HE1 MET 435 HE1 MET 435 -10.685 19.425 13.858 10 HE2 MET 435 HE2 MET 435 -8.948 19.212 14.088 11 HE3 MET 435 HE3 MET 435 -9.603 20.810 13.734 12 H GLU 436 H GLU 436 -10.954 14.787 17.607 13 HA GLU 436 HA GLU 436 -8.225 14.064 18.418 14 HB2 GLU 436 HB2 GLU 436 -10.508 12.322 17.441 15 HB3 GLU 436 HB3 GLU 436 -8.936 11.737 17.962 16 HG2 GLU 436 HG2 GLU 436 -10.465 11.387 19.750 17 HG3 GLU 436 HG3 GLU 436 -9.389 12.698 20.219 18 H PHE 437 H PHE 437 -6.697 13.273 16.975 19 HA PHE 437 HA PHE 437 -7.323 13.538 14.101 20 HB2 PHE 437 HB2 PHE 437 -4.674 13.982 15.506 21 HB3 PHE 437 HB3 PHE 437 -4.919 14.062 13.764 22 HD1 PHE 437 HD1 PHE 437 -6.250 15.897 12.778 23 HD2 PHE 437 HD2 PHE 437 -5.318 15.795 16.937 24 HE1 PHE 437 HE1 PHE 437 -6.833 18.280 12.967 25 HE2 PHE 437 HE2 PHE 437 -5.905 18.177 17.128 26 HZ PHE 437 HZ PHE 437 -6.662 19.423 15.143 27 HA PRO 438 HA PRO 438 -6.426 9.193 13.998 28 HB2 PRO 438 HB2 PRO 438 -6.606 8.770 11.360 29 HB3 PRO 438 HB3 PRO 438 -8.018 9.232 12.321 30 HG2 PRO 438 HG2 PRO 438 -6.275 10.942 10.582 31 HG3 PRO 438 HG3 PRO 438 -8.042 10.911 10.697 32 HD2 PRO 438 HD2 PRO 438 -6.458 12.754 11.978 33 HD3 PRO 438 HD3 PRO 438 -8.060 12.260 12.561 34 H ASP 439 H ASP 439 -5.019 7.598 12.871 35 HA ASP 439 HA ASP 439 -2.539 8.701 11.746 36 HB2 ASP 439 HB2 ASP 439 -2.117 8.175 14.128 37 HB3 ASP 439 HB3 ASP 439 -2.668 6.523 13.859 38 H LEU 440 H LEU 440 -3.031 8.054 9.673 39 HA LEU 440 HA LEU 440 -3.931 5.294 9.228 40 HB2 LEU 440 HB2 LEU 440 -3.859 7.674 7.364 41 HB3 LEU 440 HB3 LEU 440 -4.450 6.081 6.929 42 HG LEU 440 HG LEU 440 -5.665 7.879 9.039 43 HD11 LEU 440 HD11 LEU 440 -6.015 8.729 6.779 44 HD12 LEU 440 HD12 LEU 440 -7.519 8.128 7.472 45 HD13 LEU 440 HD13 LEU 440 -6.651 7.163 6.277 46 HD21 LEU 440 HD21 LEU 440 -5.958 5.526 9.594 47 HD22 LEU 440 HD22 LEU 440 -6.569 5.198 7.971 48 HD23 LEU 440 HD23 LEU 440 -7.489 6.226 9.070 49 H THR 441 H THR 441 -2.311 3.888 9.001 50 HA THR 441 HA THR 441 -0.059 4.626 7.230 51 HB THR 441 HB THR 441 0.786 4.503 9.503 52 HG1 THR 441 HG1 THR 441 2.162 3.695 7.888 53 HG21 THR 441 HG21 THR 441 -0.912 3.041 10.498 54 HG22 THR 441 HG22 THR 441 0.709 2.418 10.805 55 HG23 THR 441 HG23 THR 441 -0.298 1.678 9.561 56 H VAL 442 H VAL 442 0.876 2.949 5.988 57 HA VAL 442 HA VAL 442 -0.871 0.600 5.578 58 HB VAL 442 HB VAL 442 -0.288 0.679 3.183 59 HG11 VAL 442 HG11 VAL 442 -1.618 2.643 2.563 60 HG12 VAL 442 HG12 VAL 442 -1.431 3.290 4.193 61 HG13 VAL 442 HG13 VAL 442 -2.334 1.797 3.936 62 HG21 VAL 442 HG21 VAL 442 1.106 3.276 3.858 63 HG22 VAL 442 HG22 VAL 442 0.843 2.639 2.234 64 HG23 VAL 442 HG23 VAL 442 1.891 1.778 3.360 65 H GLU 443 H GLU 443 0.139 -1.372 5.084 66 HA GLU 443 HA GLU 443 3.083 -1.470 5.346 67 HB2 GLU 443 HB2 GLU 443 1.101 -3.357 6.634 68 HB3 GLU 443 HB3 GLU 443 2.840 -3.516 6.714 69 HG2 GLU 443 HG2 GLU 443 2.992 -1.431 7.965 70 HG3 GLU 443 HG3 GLU 443 1.245 -1.219 7.844 71 H ILE 444 H ILE 444 4.129 -2.879 3.964 72 HA ILE 444 HA ILE 444 2.407 -4.400 2.096 73 HB ILE 444 HB ILE 444 5.148 -3.237 1.535 74 HG12 ILE 444 HG12 ILE 444 2.411 -2.331 0.574 75 HG13 ILE 444 HG13 ILE 444 3.411 -1.489 1.754 76 HG21 ILE 444 HG21 ILE 444 4.692 -3.858 -0.806 77 HG22 ILE 444 HG22 ILE 444 3.187 -4.627 -0.303 78 HG23 ILE 444 HG23 ILE 444 4.733 -5.267 0.253 79 HD11 ILE 444 HD11 ILE 444 3.567 -0.430 -0.407 80 HD12 ILE 444 HD12 ILE 444 4.079 -1.947 -1.145 81 HD13 ILE 444 HD13 ILE 444 5.121 -1.141 0.029 82 H LYS 445 H LYS 445 2.813 -6.507 1.718 83 HA LYS 445 HA LYS 445 5.260 -7.758 2.784 84 HB2 LYS 445 HB2 LYS 445 3.549 -8.118 4.465 85 HB3 LYS 445 HB3 LYS 445 2.405 -8.659 3.244 86 HG2 LYS 445 HG2 LYS 445 4.033 -10.566 2.780 87 HG3 LYS 445 HG3 LYS 445 4.846 -10.086 4.272 88 HD2 LYS 445 HD2 LYS 445 2.862 -10.504 5.563 89 HD3 LYS 445 HD3 LYS 445 1.905 -10.760 4.103 90 HE2 LYS 445 HE2 LYS 445 3.507 -12.695 3.605 91 HE3 LYS 445 HE3 LYS 445 4.039 -12.525 5.279 92 HZ1 LYS 445 HZ1 LYS 445 1.259 -13.067 4.381 93 HZ2 LYS 445 HZ2 LYS 445 1.752 -12.883 5.990 94 HZ3 LYS 445 HZ3 LYS 445 2.317 -14.190 5.082 95 H GLY 446 H GLY 446 6.012 -9.552 1.576 96 HA2 GLY 446 HA2 GLY 446 4.721 -11.303 -0.016 97 HA3 GLY 446 HA3 GLY 446 4.831 -9.902 -1.066 98 HA PRO 447 HA PRO 447 8.720 -12.449 -1.610 99 HB2 PRO 447 HB2 PRO 447 8.487 -12.869 -4.271 100 HB3 PRO 447 HB3 PRO 447 7.701 -13.912 -3.079 101 HG2 PRO 447 HG2 PRO 447 6.535 -11.658 -4.682 102 HG3 PRO 447 HG3 PRO 447 5.856 -13.265 -4.355 103 HD2 PRO 447 HD2 PRO 447 5.113 -11.035 -2.979 104 HD3 PRO 447 HD3 PRO 447 5.108 -12.658 -2.259 105 H ASP 448 H ASP 448 10.508 -11.212 -1.727 106 HA ASP 448 HA ASP 448 10.397 -8.609 -2.996 107 HB2 ASP 448 HB2 ASP 448 12.635 -8.288 -1.948 108 HB3 ASP 448 HB3 ASP 448 11.377 -8.736 -0.801 109 H VAL 449 H VAL 449 11.478 -11.711 -3.924 110 HA VAL 449 HA VAL 449 12.736 -10.517 -6.318 111 HB VAL 449 HB VAL 449 13.674 -13.048 -4.931 112 HG11 VAL 449 HG11 VAL 449 15.440 -13.095 -6.632 113 HG12 VAL 449 HG12 VAL 449 14.726 -11.688 -7.419 114 HG13 VAL 449 HG13 VAL 449 13.841 -13.213 -7.368 115 HG21 VAL 449 HG21 VAL 449 15.773 -11.797 -4.554 116 HG22 VAL 449 HG22 VAL 449 14.399 -11.064 -3.723 117 HG23 VAL 449 HG23 VAL 449 15.011 -10.349 -5.216 118 H VAL 450 H VAL 450 11.703 -11.090 -8.148 119 HA VAL 450 HA VAL 450 10.329 -13.695 -8.280 120 HB VAL 450 HB VAL 450 8.380 -12.674 -9.403 121 HG11 VAL 450 HG11 VAL 450 8.261 -13.144 -7.008 122 HG12 VAL 450 HG12 VAL 450 7.333 -11.698 -7.408 123 HG13 VAL 450 HG13 VAL 450 8.916 -11.546 -6.648 124 HG21 VAL 450 HG21 VAL 450 9.667 -10.045 -8.641 125 HG22 VAL 450 HG22 VAL 450 8.028 -10.234 -9.269 126 HG23 VAL 450 HG23 VAL 450 9.412 -10.656 -10.275 127 H GLY 451 H GLY 451 9.734 -14.327 -10.511 128 HA2 GLY 451 HA2 GLY 451 11.824 -13.476 -12.406 129 HA3 GLY 451 HA3 GLY 451 10.925 -14.983 -12.470 130 H VAL 452 H VAL 452 11.256 -13.400 -14.721 131 HA VAL 452 HA VAL 452 9.078 -11.636 -15.192 132 HB VAL 452 HB VAL 452 11.247 -11.671 -16.476 133 HG11 VAL 452 HG11 VAL 452 9.979 -14.031 -17.873 134 HG12 VAL 452 HG12 VAL 452 11.426 -14.066 -16.865 135 HG13 VAL 452 HG13 VAL 452 11.439 -13.189 -18.395 136 HG21 VAL 452 HG21 VAL 452 10.238 -11.027 -18.616 137 HG22 VAL 452 HG22 VAL 452 9.338 -10.363 -17.250 138 HG23 VAL 452 HG23 VAL 452 8.713 -11.764 -18.121 139 H ASN 453 H ASN 453 7.138 -11.955 -16.299 140 HA ASN 453 HA ASN 453 5.200 -13.003 -16.848 141 HB2 ASN 453 HB2 ASN 453 7.116 -15.126 -17.837 142 HB3 ASN 453 HB3 ASN 453 5.379 -15.163 -18.131 143 HD21 ASN 453 HD21 ASN 453 8.359 -13.537 -18.848 144 HD22 ASN 453 HD22 ASN 453 7.786 -12.672 -20.228 145 H LYS 454 H LYS 454 6.652 -13.653 -14.189 146 HA LYS 454 HA LYS 454 5.125 -16.070 -13.497 147 HB2 LYS 454 HB2 LYS 454 7.359 -14.676 -12.007 148 HB3 LYS 454 HB3 LYS 454 6.476 -16.065 -11.391 149 HG2 LYS 454 HG2 LYS 454 8.255 -15.972 -13.822 150 HG3 LYS 454 HG3 LYS 454 8.565 -16.805 -12.298 151 HD2 LYS 454 HD2 LYS 454 6.410 -17.464 -14.316 152 HD3 LYS 454 HD3 LYS 454 7.863 -18.404 -13.976 153 HE2 LYS 454 HE2 LYS 454 7.052 -18.808 -11.689 154 HE3 LYS 454 HE3 LYS 454 5.591 -17.883 -12.049 155 HZ1 LYS 454 HZ1 LYS 454 5.020 -19.498 -13.738 156 HZ2 LYS 454 HZ2 LYS 454 5.225 -20.267 -12.247 157 HZ3 LYS 454 HZ3 LYS 454 6.430 -20.378 -13.430 158 H LEU 455 H LEU 455 3.529 -16.059 -11.989 159 HA LEU 455 HA LEU 455 2.390 -13.479 -11.315 160 HB2 LEU 455 HB2 LEU 455 1.020 -15.380 -12.168 161 HB3 LEU 455 HB3 LEU 455 1.374 -16.259 -10.691 162 HG LEU 455 HG LEU 455 0.218 -14.496 -9.386 163 HD11 LEU 455 HD11 LEU 455 -1.152 -12.838 -10.579 164 HD12 LEU 455 HD12 LEU 455 -0.434 -13.361 -12.104 165 HD13 LEU 455 HD13 LEU 455 0.574 -12.614 -10.863 166 HD21 LEU 455 HD21 LEU 455 -1.449 -15.706 -11.600 167 HD22 LEU 455 HD22 LEU 455 -2.059 -15.078 -10.068 168 HD23 LEU 455 HD23 LEU 455 -1.007 -16.492 -10.083 169 H ALA 456 H ALA 456 2.665 -12.462 -9.426 170 HA ALA 456 HA ALA 456 3.455 -14.036 -7.047 171 HB1 ALA 456 HB1 ALA 456 4.404 -11.259 -7.766 172 HB2 ALA 456 HB2 ALA 456 5.346 -12.742 -7.931 173 HB3 ALA 456 HB3 ALA 456 4.859 -12.180 -6.332 174 H GLU 457 H GLU 457 2.360 -13.659 -5.179 175 HA GLU 457 HA GLU 457 0.206 -11.655 -5.241 176 HB2 GLU 457 HB2 GLU 457 0.597 -14.189 -3.657 177 HB3 GLU 457 HB3 GLU 457 -0.587 -12.981 -3.173 178 HG2 GLU 457 HG2 GLU 457 -1.746 -13.213 -5.272 179 HG3 GLU 457 HG3 GLU 457 -0.526 -14.348 -5.861 180 H TYR 458 H TYR 458 0.145 -9.966 -3.883 181 HA TYR 458 HA TYR 458 2.117 -9.861 -1.681 182 HB2 TYR 458 HB2 TYR 458 1.215 -7.620 -3.508 183 HB3 TYR 458 HB3 TYR 458 2.161 -7.368 -2.046 184 HD1 TYR 458 HD1 TYR 458 2.225 -8.886 -5.433 185 HD2 TYR 458 HD2 TYR 458 4.515 -7.744 -2.023 186 HE1 TYR 458 HE1 TYR 458 4.297 -9.253 -6.706 187 HE2 TYR 458 HE2 TYR 458 6.587 -8.109 -3.290 188 HH TYR 458 HH TYR 458 7.390 -9.309 -5.205 189 H GLU 459 H GLU 459 1.503 -8.694 0.196 190 HA GLU 459 HA GLU 459 -1.420 -8.539 0.600 191 HB2 GLU 459 HB2 GLU 459 0.689 -9.487 2.569 192 HB3 GLU 459 HB3 GLU 459 -1.040 -9.401 2.874 193 HG2 GLU 459 HG2 GLU 459 -1.515 -11.227 1.547 194 HG3 GLU 459 HG3 GLU 459 -0.057 -11.039 0.575 195 H VAL 460 H VAL 460 -2.154 -6.660 1.364 196 HA VAL 460 HA VAL 460 -0.242 -4.675 2.427 197 HB VAL 460 HB VAL 460 -2.882 -4.119 1.043 198 HG11 VAL 460 HG11 VAL 460 -2.214 -2.351 2.578 199 HG12 VAL 460 HG12 VAL 460 -2.057 -1.802 0.909 200 HG13 VAL 460 HG13 VAL 460 -0.622 -2.268 1.824 201 HG21 VAL 460 HG21 VAL 460 -1.552 -3.415 -0.899 202 HG22 VAL 460 HG22 VAL 460 -1.326 -5.127 -0.538 203 HG23 VAL 460 HG23 VAL 460 -0.083 -3.960 -0.088 204 H HIS 461 H HIS 461 -0.539 -4.025 4.475 205 HA HIS 461 HA HIS 461 -3.143 -4.529 5.778 206 HB2 HIS 461 HB2 HIS 461 -0.406 -4.130 7.009 207 HB3 HIS 461 HB3 HIS 461 -1.884 -4.369 7.916 208 HD1 HIS 461 HD1 HIS 461 -2.728 -6.748 8.175 209 HD2 HIS 461 HD2 HIS 461 0.530 -6.446 5.614 210 HE1 HIS 461 HE1 HIS 461 -2.012 -9.104 7.726 211 HE2 HIS 461 HE2 HIS 461 -0.026 -8.907 6.200 212 H VAL 462 H VAL 462 -4.391 -2.765 5.775 213 HA VAL 462 HA VAL 462 -3.150 -0.112 6.122 214 HB VAL 462 HB VAL 462 -5.182 0.845 5.131 215 HG11 VAL 462 HG11 VAL 462 -3.322 0.277 3.662 216 HG12 VAL 462 HG12 VAL 462 -4.858 0.035 2.831 217 HG13 VAL 462 HG13 VAL 462 -3.962 -1.353 3.451 218 HG21 VAL 462 HG21 VAL 462 -6.090 -2.022 4.764 219 HG22 VAL 462 HG22 VAL 462 -6.880 -0.601 4.078 220 HG23 VAL 462 HG23 VAL 462 -6.829 -0.824 5.827 221 H LYS 463 H LYS 463 -3.538 0.993 7.969 222 HA LYS 463 HA LYS 463 -5.699 0.108 9.742 223 HB2 LYS 463 HB2 LYS 463 -3.958 -0.044 11.616 224 HB3 LYS 463 HB3 LYS 463 -4.047 -1.371 10.464 225 HG2 LYS 463 HG2 LYS 463 -2.108 -0.641 9.321 226 HG3 LYS 463 HG3 LYS 463 -2.101 0.898 10.175 227 HD2 LYS 463 HD2 LYS 463 -0.395 -0.565 11.094 228 HD3 LYS 463 HD3 LYS 463 -1.673 -0.298 12.280 229 HE2 LYS 463 HE2 LYS 463 -2.491 -2.450 12.094 230 HE3 LYS 463 HE3 LYS 463 -1.832 -2.671 10.476 231 HZ1 LYS 463 HZ1 LYS 463 0.355 -2.869 11.383 232 HZ2 LYS 463 HZ2 LYS 463 -0.659 -3.960 12.184 233 HZ3 LYS 463 HZ3 LYS 463 -0.198 -2.523 12.944 234 H ASN 464 H ASN 464 -6.223 1.492 11.432 235 HA ASN 464 HA ASN 464 -5.017 4.194 11.340 236 HB2 ASN 464 HB2 ASN 464 -7.494 3.915 10.818 237 HB3 ASN 464 HB3 ASN 464 -7.712 3.401 12.483 238 HD21 ASN 464 HD21 ASN 464 -8.873 5.644 11.140 239 HD22 ASN 464 HD22 ASN 464 -8.405 7.047 12.027 240 H LEU 465 H LEU 465 -3.851 4.789 13.118 241 HA LEU 465 HA LEU 465 -4.149 3.155 15.565 242 HB2 LEU 465 HB2 LEU 465 -1.689 4.674 14.683 243 HB3 LEU 465 HB3 LEU 465 -1.812 3.562 16.033 244 HG LEU 465 HG LEU 465 -1.966 2.845 13.097 245 HD11 LEU 465 HD11 LEU 465 0.290 3.342 13.894 246 HD12 LEU 465 HD12 LEU 465 0.101 1.630 13.512 247 HD13 LEU 465 HD13 LEU 465 0.095 2.165 15.193 248 HD21 LEU 465 HD21 LEU 465 -2.210 1.045 15.513 249 HD22 LEU 465 HD22 LEU 465 -2.084 0.507 13.836 250 HD23 LEU 465 HD23 LEU 465 -3.491 1.429 14.364 251 H GLY 466 H GLY 466 -5.123 6.019 14.471 252 HA2 GLY 466 HA2 GLY 466 -4.242 7.768 16.609 253 HA3 GLY 466 HA3 GLY 466 -5.381 8.166 15.336 254 H GLY 467 H GLY 467 -6.903 5.604 16.157 255 HA2 GLY 467 HA2 GLY 467 -8.430 4.945 17.813 256 HA3 GLY 467 HA3 GLY 467 -7.972 6.344 18.768 257 H ILE 468 H ILE 468 -8.708 7.079 15.526 258 HA ILE 468 HA ILE 468 -11.543 7.612 16.102 259 HB ILE 468 HB ILE 468 -10.602 9.738 16.512 260 HG12 ILE 468 HG12 ILE 468 -11.460 9.801 13.601 261 HG13 ILE 468 HG13 ILE 468 -12.564 9.771 14.974 262 HG21 ILE 468 HG21 ILE 468 -8.983 9.469 13.980 263 HG22 ILE 468 HG22 ILE 468 -8.367 9.299 15.624 264 HG23 ILE 468 HG23 ILE 468 -8.986 10.855 15.072 265 HD11 ILE 468 HD11 ILE 468 -12.324 12.014 14.076 266 HD12 ILE 468 HD12 ILE 468 -10.583 11.953 14.350 267 HD13 ILE 468 HD13 ILE 468 -11.694 11.927 15.721 268 H GLY 469 H GLY 469 -12.918 7.209 14.425 269 HA2 GLY 469 HA2 GLY 469 -11.912 5.618 12.270 270 HA3 GLY 469 HA3 GLY 469 -13.586 6.057 12.543 271 H VAL 470 H VAL 470 -11.755 5.994 10.115 272 HA VAL 470 HA VAL 470 -12.355 8.709 9.129 273 HB VAL 470 HB VAL 470 -9.849 7.138 8.477 274 HG11 VAL 470 HG11 VAL 470 -10.697 9.921 7.649 275 HG12 VAL 470 HG12 VAL 470 -10.592 8.506 6.601 276 HG13 VAL 470 HG13 VAL 470 -9.128 9.183 7.315 277 HG21 VAL 470 HG21 VAL 470 -9.780 8.001 10.757 278 HG22 VAL 470 HG22 VAL 470 -10.197 9.615 10.177 279 HG23 VAL 470 HG23 VAL 470 -8.655 8.885 9.726 280 HA PRO 471 HA PRO 471 -14.202 6.160 5.826 281 HB2 PRO 471 HB2 PRO 471 -15.827 8.069 4.859 282 HB3 PRO 471 HB3 PRO 471 -16.194 7.218 6.364 283 HG2 PRO 471 HG2 PRO 471 -14.993 9.935 5.965 284 HG3 PRO 471 HG3 PRO 471 -16.238 9.422 7.120 285 HD2 PRO 471 HD2 PRO 471 -13.583 9.723 7.765 286 HD3 PRO 471 HD3 PRO 471 -14.689 8.629 8.619 287 H SER 472 H SER 472 -12.230 8.900 5.765 288 HA SER 472 HA SER 472 -12.284 9.482 2.945 289 HB2 SER 472 HB2 SER 472 -10.370 10.468 5.075 290 HB3 SER 472 HB3 SER 472 -10.599 11.164 3.474 291 HG SER 472 HG SER 472 -11.736 12.219 5.263 292 H THR 473 H THR 473 -11.197 6.760 4.053 293 HA THR 473 HA THR 473 -8.328 7.016 3.581 294 HB THR 473 HB THR 473 -9.892 4.604 4.538 295 HG1 THR 473 HG1 THR 473 -10.002 5.732 6.325 296 HG21 THR 473 HG21 THR 473 -6.927 5.203 4.591 297 HG22 THR 473 HG22 THR 473 -7.728 3.988 3.594 298 HG23 THR 473 HG23 THR 473 -7.698 3.810 5.349 299 H LYS 474 H LYS 474 -8.261 7.225 1.325 300 HA LYS 474 HA LYS 474 -8.841 4.796 -0.239 301 HB2 LYS 474 HB2 LYS 474 -7.985 7.570 -1.113 302 HB3 LYS 474 HB3 LYS 474 -8.222 6.213 -2.208 303 HG2 LYS 474 HG2 LYS 474 -10.585 6.116 -1.591 304 HG3 LYS 474 HG3 LYS 474 -10.350 7.457 -0.465 305 HD2 LYS 474 HD2 LYS 474 -9.726 8.922 -2.318 306 HD3 LYS 474 HD3 LYS 474 -9.892 7.585 -3.455 307 HE2 LYS 474 HE2 LYS 474 -12.270 7.452 -3.005 308 HE3 LYS 474 HE3 LYS 474 -12.136 8.688 -1.757 309 HZ1 LYS 474 HZ1 LYS 474 -12.982 9.534 -3.892 310 HZ2 LYS 474 HZ2 LYS 474 -11.512 9.134 -4.629 311 HZ3 LYS 474 HZ3 LYS 474 -11.558 10.304 -3.409 312 H VAL 475 H VAL 475 -7.251 3.411 -0.744 313 HA VAL 475 HA VAL 475 -4.446 4.215 -0.244 314 HB VAL 475 HB VAL 475 -5.643 1.433 -0.143 315 HG11 VAL 475 HG11 VAL 475 -2.881 2.390 0.636 316 HG12 VAL 475 HG12 VAL 475 -3.274 1.443 -0.799 317 HG13 VAL 475 HG13 VAL 475 -3.499 0.744 0.804 318 HG21 VAL 475 HG21 VAL 475 -4.789 3.250 2.119 319 HG22 VAL 475 HG22 VAL 475 -5.351 1.585 2.283 320 HG23 VAL 475 HG23 VAL 475 -6.450 2.832 1.696 321 H ARG 476 H ARG 476 -3.045 4.154 -1.911 322 HA ARG 476 HA ARG 476 -3.874 2.790 -4.403 323 HB2 ARG 476 HB2 ARG 476 -2.084 5.218 -4.133 324 HB3 ARG 476 HB3 ARG 476 -2.559 4.449 -5.640 325 HG2 ARG 476 HG2 ARG 476 -4.937 5.036 -5.090 326 HG3 ARG 476 HG3 ARG 476 -4.323 5.968 -3.720 327 HD2 ARG 476 HD2 ARG 476 -2.921 7.273 -5.320 328 HD3 ARG 476 HD3 ARG 476 -3.698 6.410 -6.645 329 HE ARG 476 HE ARG 476 -5.505 7.789 -4.857 330 HH11 ARG 476 HH11 ARG 476 -3.628 7.970 -7.742 331 HH12 ARG 476 HH12 ARG 476 -4.543 9.288 -8.378 332 HH21 ARG 476 HH21 ARG 476 -6.649 9.500 -5.676 333 HH22 ARG 476 HH22 ARG 476 -6.233 10.139 -7.228 334 H VAL 477 H VAL 477 -2.265 1.707 -5.632 335 HA VAL 477 HA VAL 477 0.266 1.154 -4.204 336 HB VAL 477 HB VAL 477 -1.346 -0.763 -5.915 337 HG11 VAL 477 HG11 VAL 477 1.275 -1.193 -4.468 338 HG12 VAL 477 HG12 VAL 477 1.036 -1.155 -6.215 339 HG13 VAL 477 HG13 VAL 477 0.324 -2.454 -5.256 340 HG21 VAL 477 HG21 VAL 477 -0.807 -0.742 -2.941 341 HG22 VAL 477 HG22 VAL 477 -1.615 -2.040 -3.819 342 HG23 VAL 477 HG23 VAL 477 -2.356 -0.441 -3.730 343 H TYR 478 H TYR 478 2.005 1.823 -5.266 344 HA TYR 478 HA TYR 478 1.895 2.141 -8.202 345 HB2 TYR 478 HB2 TYR 478 3.554 3.663 -6.176 346 HB3 TYR 478 HB3 TYR 478 3.638 3.882 -7.920 347 HD1 TYR 478 HD1 TYR 478 1.850 5.035 -9.119 348 HD2 TYR 478 HD2 TYR 478 1.677 4.525 -4.892 349 HE1 TYR 478 HE1 TYR 478 0.094 6.748 -8.988 350 HE2 TYR 478 HE2 TYR 478 -0.079 6.236 -4.757 351 HH TYR 478 HH TYR 478 -0.911 8.121 -6.018 352 H ILE 479 H ILE 479 3.550 1.359 -9.441 353 HA ILE 479 HA ILE 479 5.821 0.029 -8.098 354 HB ILE 479 HB ILE 479 4.543 -0.811 -10.719 355 HG12 ILE 479 HG12 ILE 479 4.384 -2.138 -7.993 356 HG13 ILE 479 HG13 ILE 479 3.073 -1.252 -8.761 357 HG21 ILE 479 HG21 ILE 479 6.927 -1.324 -10.607 358 HG22 ILE 479 HG22 ILE 479 5.976 -2.805 -10.498 359 HG23 ILE 479 HG23 ILE 479 6.701 -2.114 -9.045 360 HD11 ILE 479 HD11 ILE 479 2.750 -3.629 -8.988 361 HD12 ILE 479 HD12 ILE 479 4.328 -3.801 -9.755 362 HD13 ILE 479 HD13 ILE 479 3.043 -2.908 -10.571 363 H ASN 480 H ASN 480 7.567 1.309 -8.421 364 HA ASN 480 HA ASN 480 8.977 2.876 -9.301 365 HB2 ASN 480 HB2 ASN 480 8.291 1.330 -11.808 366 HB3 ASN 480 HB3 ASN 480 9.521 2.588 -11.766 367 HD21 ASN 480 HD21 ASN 480 10.003 -0.071 -12.458 368 HD22 ASN 480 HD22 ASN 480 11.076 -0.740 -11.283 369 H GLY 481 H GLY 481 6.370 3.862 -8.914 370 HA2 GLY 481 HA2 GLY 481 5.418 5.952 -9.312 371 HA3 GLY 481 HA3 GLY 481 6.419 6.119 -10.742 372 H THR 482 H THR 482 5.002 3.166 -11.074 373 HA THR 482 HA THR 482 2.842 4.252 -12.748 374 HB THR 482 HB THR 482 3.999 1.449 -12.657 375 HG1 THR 482 HG1 THR 482 4.730 2.139 -14.822 376 HG21 THR 482 HG21 THR 482 2.698 1.063 -14.716 377 HG22 THR 482 HG22 THR 482 1.955 2.651 -14.538 378 HG23 THR 482 HG23 THR 482 1.651 1.397 -13.336 379 H LEU 483 H LEU 483 0.802 4.258 -11.994 380 HA LEU 483 HA LEU 483 0.072 2.955 -9.566 381 HB2 LEU 483 HB2 LEU 483 -0.972 5.052 -10.283 382 HB3 LEU 483 HB3 LEU 483 -1.669 4.244 -11.673 383 HG LEU 483 HG LEU 483 -3.018 2.827 -10.154 384 HD11 LEU 483 HD11 LEU 483 -1.551 2.863 -8.200 385 HD12 LEU 483 HD12 LEU 483 -3.186 3.372 -7.785 386 HD13 LEU 483 HD13 LEU 483 -1.908 4.574 -7.958 387 HD21 LEU 483 HD21 LEU 483 -3.347 5.797 -9.724 388 HD22 LEU 483 HD22 LEU 483 -4.585 4.572 -9.443 389 HD23 LEU 483 HD23 LEU 483 -3.986 4.862 -11.076 390 H TYR 484 H TYR 484 -0.262 0.855 -9.351 391 HA TYR 484 HA TYR 484 -1.119 -0.784 -11.604 392 HB2 TYR 484 HB2 TYR 484 0.648 -1.760 -10.372 393 HB3 TYR 484 HB3 TYR 484 -0.107 -1.390 -8.827 394 HD1 TYR 484 HD1 TYR 484 -0.384 -3.588 -11.825 395 HD2 TYR 484 HD2 TYR 484 -1.542 -2.939 -7.778 396 HE1 TYR 484 HE1 TYR 484 -1.372 -5.843 -11.747 397 HE2 TYR 484 HE2 TYR 484 -2.529 -5.183 -7.698 398 HH TYR 484 HH TYR 484 -1.977 -7.547 -10.053 399 H LYS 485 H LYS 485 -2.342 0.160 -8.397 400 HA LYS 485 HA LYS 485 -5.064 -0.345 -9.125 401 HB2 LYS 485 HB2 LYS 485 -4.070 -2.664 -8.767 402 HB3 LYS 485 HB3 LYS 485 -3.903 -2.239 -7.072 403 HG2 LYS 485 HG2 LYS 485 -6.290 -2.026 -6.834 404 HG3 LYS 485 HG3 LYS 485 -6.518 -2.271 -8.571 405 HD2 LYS 485 HD2 LYS 485 -5.450 -4.521 -8.315 406 HD3 LYS 485 HD3 LYS 485 -5.450 -4.264 -6.569 407 HE2 LYS 485 HE2 LYS 485 -7.891 -4.077 -6.597 408 HE3 LYS 485 HE3 LYS 485 -7.892 -4.312 -8.345 409 HZ1 LYS 485 HZ1 LYS 485 -6.854 -6.510 -7.951 410 HZ2 LYS 485 HZ2 LYS 485 -8.404 -6.373 -7.285 411 HZ3 LYS 485 HZ3 LYS 485 -7.047 -6.275 -6.288 412 H ASN 486 H ASN 486 -6.585 0.080 -7.318 413 HA ASN 486 HA ASN 486 -5.434 1.174 -4.866 414 HB2 ASN 486 HB2 ASN 486 -6.668 3.283 -5.029 415 HB3 ASN 486 HB3 ASN 486 -5.565 3.112 -6.391 416 HD21 ASN 486 HD21 ASN 486 -6.427 2.683 -8.448 417 HD22 ASN 486 HD22 ASN 486 -8.083 2.991 -8.812 418 H TRP 487 H TRP 487 -6.931 1.313 -3.125 419 HA TRP 487 HA TRP 487 -9.596 0.121 -3.582 420 HB2 TRP 487 HB2 TRP 487 -7.694 -0.496 -1.303 421 HB3 TRP 487 HB3 TRP 487 -9.376 -1.009 -1.357 422 HD1 TRP 487 HD1 TRP 487 -10.003 -2.911 -3.218 423 HE1 TRP 487 HE1 TRP 487 -8.544 -4.769 -4.241 424 HE3 TRP 487 HE3 TRP 487 -5.384 -1.041 -2.076 425 HZ2 TRP 487 HZ2 TRP 487 -5.803 -5.356 -4.533 426 HZ3 TRP 487 HZ3 TRP 487 -3.394 -2.313 -2.763 427 HH2 TRP 487 HH2 TRP 487 -3.603 -4.426 -3.968 428 H THR 488 H THR 488 -11.257 1.207 -2.641 429 HA THR 488 HA THR 488 -10.602 3.401 -0.772 430 HB THR 488 HB THR 488 -13.192 2.937 -2.291 431 HG1 THR 488 HG1 THR 488 -12.482 4.613 -3.632 432 HG21 THR 488 HG21 THR 488 -12.245 5.306 -0.662 433 HG22 THR 488 HG22 THR 488 -13.535 4.186 -0.218 434 HG23 THR 488 HG23 THR 488 -13.729 5.245 -1.614 435 H VAL 489 H VAL 489 -10.947 3.013 1.343 436 HA VAL 489 HA VAL 489 -13.193 1.303 2.154 437 HB VAL 489 HB VAL 489 -11.862 0.008 3.718 438 HG11 VAL 489 HG11 VAL 489 -10.549 -1.364 2.168 439 HG12 VAL 489 HG12 VAL 489 -10.662 -0.091 0.952 440 HG13 VAL 489 HG13 VAL 489 -12.118 -0.926 1.489 441 HG21 VAL 489 HG21 VAL 489 -10.144 1.626 4.275 442 HG22 VAL 489 HG22 VAL 489 -9.470 1.509 2.649 443 HG23 VAL 489 HG23 VAL 489 -9.398 0.122 3.735 444 H SER 490 H SER 490 -13.414 1.325 4.611 445 HA SER 490 HA SER 490 -12.649 3.959 5.712 446 HB2 SER 490 HB2 SER 490 -14.693 3.853 7.108 447 HB3 SER 490 HB3 SER 490 -15.079 3.821 5.390 448 HG SER 490 HG SER 490 -15.422 1.599 5.537 449 H LEU 491 H LEU 491 -11.606 3.992 7.653 450 HA LEU 491 HA LEU 491 -11.166 1.384 8.983 451 HB2 LEU 491 HB2 LEU 491 -9.291 3.748 8.765 452 HB3 LEU 491 HB3 LEU 491 -8.975 2.313 9.721 453 HG LEU 491 HG LEU 491 -9.258 2.392 6.709 454 HD11 LEU 491 HD11 LEU 491 -7.184 3.419 7.469 455 HD12 LEU 491 HD12 LEU 491 -6.862 1.865 6.701 456 HD13 LEU 491 HD13 LEU 491 -6.826 2.004 8.459 457 HD21 LEU 491 HD21 LEU 491 -8.535 0.052 6.783 458 HD22 LEU 491 HD22 LEU 491 -10.062 0.280 7.635 459 HD23 LEU 491 HD23 LEU 491 -8.565 0.095 8.547 460 H GLY 492 H GLY 492 -12.058 1.249 10.924 461 HA2 GLY 492 HA2 GLY 492 -13.000 3.592 12.324 462 HA3 GLY 492 HA3 GLY 492 -13.172 1.925 12.843 463 HA PRO 493 HA PRO 493 -10.056 4.244 15.568 464 HB2 PRO 493 HB2 PRO 493 -11.199 3.243 17.899 465 HB3 PRO 493 HB3 PRO 493 -11.523 4.838 17.212 466 HG2 PRO 493 HG2 PRO 493 -13.111 2.310 16.976 467 HG3 PRO 493 HG3 PRO 493 -13.679 3.978 17.185 468 HD2 PRO 493 HD2 PRO 493 -13.774 2.757 14.796 469 HD3 PRO 493 HD3 PRO 493 -13.394 4.488 14.932 470 H LYS 494 H LYS 494 -8.275 3.021 15.212 471 HA LYS 494 HA LYS 494 -6.677 1.448 15.546 472 HB2 LYS 494 HB2 LYS 494 -8.579 0.393 17.652 473 HB3 LYS 494 HB3 LYS 494 -6.921 -0.146 17.437 474 HG2 LYS 494 HG2 LYS 494 -7.751 2.669 18.143 475 HG3 LYS 494 HG3 LYS 494 -7.171 1.457 19.286 476 HD2 LYS 494 HD2 LYS 494 -5.044 1.339 17.978 477 HD3 LYS 494 HD3 LYS 494 -5.630 2.679 16.990 478 HE2 LYS 494 HE2 LYS 494 -4.125 3.473 18.743 479 HE3 LYS 494 HE3 LYS 494 -5.756 4.096 18.985 480 HZ1 LYS 494 HZ1 LYS 494 -6.134 2.473 20.689 481 HZ2 LYS 494 HZ2 LYS 494 -4.695 3.289 21.040 482 HZ3 LYS 494 HZ3 LYS 494 -4.644 1.728 20.393 483 H GLU 495 H GLU 495 -8.694 1.073 13.512 484 HA GLU 495 HA GLU 495 -9.082 -1.844 13.478 485 HB2 GLU 495 HB2 GLU 495 -11.045 -0.320 13.103 486 HB3 GLU 495 HB3 GLU 495 -10.275 0.227 11.619 487 HG2 GLU 495 HG2 GLU 495 -11.991 -1.451 11.178 488 HG3 GLU 495 HG3 GLU 495 -10.393 -2.020 10.696 489 H GLU 496 H GLU 496 -8.442 -3.127 11.715 490 HA GLU 496 HA GLU 496 -6.638 -1.892 9.728 491 HB2 GLU 496 HB2 GLU 496 -5.294 -3.021 11.503 492 HB3 GLU 496 HB3 GLU 496 -6.121 -4.531 11.136 493 HG2 GLU 496 HG2 GLU 496 -5.254 -4.097 8.709 494 HG3 GLU 496 HG3 GLU 496 -4.109 -3.026 9.511 495 H LYS 497 H LYS 497 -6.752 -2.739 7.660 496 HA LYS 497 HA LYS 497 -8.517 -5.073 7.231 497 HB2 LYS 497 HB2 LYS 497 -8.236 -2.696 5.372 498 HB3 LYS 497 HB3 LYS 497 -9.282 -4.087 5.130 499 HG2 LYS 497 HG2 LYS 497 -9.534 -2.066 7.356 500 HG3 LYS 497 HG3 LYS 497 -10.517 -2.111 5.895 501 HD2 LYS 497 HD2 LYS 497 -10.382 -4.391 7.876 502 HD3 LYS 497 HD3 LYS 497 -11.565 -3.089 7.983 503 HE2 LYS 497 HE2 LYS 497 -12.624 -4.916 6.888 504 HE3 LYS 497 HE3 LYS 497 -12.313 -3.694 5.663 505 HZ1 LYS 497 HZ1 LYS 497 -10.535 -6.019 6.134 506 HZ2 LYS 497 HZ2 LYS 497 -10.499 -4.942 4.831 507 HZ3 LYS 497 HZ3 LYS 497 -11.786 -6.021 4.999 508 H VAL 498 H VAL 498 -7.711 -6.688 5.967 509 HA VAL 498 HA VAL 498 -4.989 -6.340 4.897 510 HB VAL 498 HB VAL 498 -6.501 -8.926 5.351 511 HG11 VAL 498 HG11 VAL 498 -4.317 -9.998 5.112 512 HG12 VAL 498 HG12 VAL 498 -3.564 -8.432 4.816 513 HG13 VAL 498 HG13 VAL 498 -4.725 -9.085 3.659 514 HG21 VAL 498 HG21 VAL 498 -4.420 -7.599 7.099 515 HG22 VAL 498 HG22 VAL 498 -5.109 -9.204 7.356 516 HG23 VAL 498 HG23 VAL 498 -6.135 -7.774 7.474 517 H LEU 499 H LEU 499 -4.776 -5.999 2.802 518 HA LEU 499 HA LEU 499 -6.830 -6.986 0.920 519 HB2 LEU 499 HB2 LEU 499 -4.949 -4.637 0.571 520 HB3 LEU 499 HB3 LEU 499 -6.252 -5.103 -0.511 521 HG LEU 499 HG LEU 499 -6.644 -4.136 2.331 522 HD11 LEU 499 HD11 LEU 499 -5.778 -2.356 0.903 523 HD12 LEU 499 HD12 LEU 499 -7.462 -2.066 1.338 524 HD13 LEU 499 HD13 LEU 499 -7.059 -2.666 -0.270 525 HD21 LEU 499 HD21 LEU 499 -8.419 -5.638 1.589 526 HD22 LEU 499 HD22 LEU 499 -8.643 -4.675 0.127 527 HD23 LEU 499 HD23 LEU 499 -9.011 -3.981 1.708 528 H THR 500 H THR 500 -6.141 -8.004 -1.016 529 HA THR 500 HA THR 500 -3.231 -8.446 -1.301 530 HB THR 500 HB THR 500 -3.745 -10.738 -2.218 531 HG1 THR 500 HG1 THR 500 -5.733 -11.626 -1.871 532 HG21 THR 500 HG21 THR 500 -2.809 -10.502 0.008 533 HG22 THR 500 HG22 THR 500 -3.986 -11.815 -0.021 534 HG23 THR 500 HG23 THR 500 -4.421 -10.257 0.688 535 H PHE 501 H PHE 501 -2.448 -8.798 -3.402 536 HA PHE 501 HA PHE 501 -4.309 -8.695 -5.639 537 HB2 PHE 501 HB2 PHE 501 -3.102 -6.884 -6.785 538 HB3 PHE 501 HB3 PHE 501 -3.811 -6.330 -5.275 539 HD1 PHE 501 HD1 PHE 501 -2.400 -5.700 -3.394 540 HD2 PHE 501 HD2 PHE 501 -0.701 -7.013 -7.075 541 HE1 PHE 501 HE1 PHE 501 -0.223 -4.781 -2.715 542 HE2 PHE 501 HE2 PHE 501 1.479 -6.096 -6.400 543 HZ PHE 501 HZ PHE 501 1.721 -4.978 -4.218 544 H SER 502 H SER 502 -3.457 -9.531 -7.582 545 HA SER 502 HA SER 502 -0.938 -11.039 -7.245 546 HB2 SER 502 HB2 SER 502 -3.286 -11.638 -9.078 547 HB3 SER 502 HB3 SER 502 -1.839 -12.628 -8.898 548 HG SER 502 HG SER 502 -3.509 -13.458 -7.625 549 H TRP 503 H TRP 503 0.733 -10.258 -8.355 550 HA TRP 503 HA TRP 503 0.220 -8.639 -10.775 551 HB2 TRP 503 HB2 TRP 503 0.934 -7.189 -9.007 552 HB3 TRP 503 HB3 TRP 503 2.251 -8.265 -8.569 553 HD1 TRP 503 HD1 TRP 503 1.252 -6.261 -11.767 554 HE1 TRP 503 HE1 TRP 503 3.399 -5.226 -12.738 555 HE3 TRP 503 HE3 TRP 503 4.644 -8.102 -8.405 556 HZ2 TRP 503 HZ2 TRP 503 6.156 -5.187 -12.157 557 HZ3 TRP 503 HZ3 TRP 503 7.018 -7.514 -8.685 558 HH2 TRP 503 HH2 TRP 503 7.757 -6.085 -10.525 559 H THR 504 H THR 504 1.349 -9.069 -12.593 560 HA THR 504 HA THR 504 3.525 -11.069 -12.465 561 HB THR 504 HB THR 504 1.553 -10.613 -14.720 562 HG1 THR 504 HG1 THR 504 0.468 -12.141 -13.765 563 HG21 THR 504 HG21 THR 504 3.752 -11.155 -15.626 564 HG22 THR 504 HG22 THR 504 2.656 -12.523 -15.822 565 HG23 THR 504 HG23 THR 504 3.873 -12.545 -14.546 566 HA PRO 505 HA PRO 505 5.797 -7.540 -14.230 567 HB2 PRO 505 HB2 PRO 505 8.274 -8.550 -13.811 568 HB3 PRO 505 HB3 PRO 505 7.318 -7.815 -12.517 569 HG2 PRO 505 HG2 PRO 505 7.724 -10.715 -13.162 570 HG3 PRO 505 HG3 PRO 505 7.723 -9.909 -11.583 571 HD2 PRO 505 HD2 PRO 505 5.575 -11.283 -12.564 572 HD3 PRO 505 HD3 PRO 505 5.427 -9.919 -11.436 573 H THR 506 H THR 506 5.838 -7.382 -16.408 574 HA THR 506 HA THR 506 6.430 -9.742 -18.037 575 HB THR 506 HB THR 506 5.694 -8.321 -19.960 576 HG1 THR 506 HG1 THR 506 5.151 -6.270 -19.662 577 HG21 THR 506 HG21 THR 506 3.315 -8.346 -19.351 578 HG22 THR 506 HG22 THR 506 3.750 -8.548 -17.653 579 HG23 THR 506 HG23 THR 506 4.130 -9.817 -18.817 580 H GLN 507 H GLN 507 8.289 -7.366 -16.743 581 HA GLN 507 HA GLN 507 10.369 -7.868 -18.736 582 HB2 GLN 507 HB2 GLN 507 9.385 -5.702 -19.370 583 HB3 GLN 507 HB3 GLN 507 9.667 -5.090 -17.747 584 HG2 GLN 507 HG2 GLN 507 12.066 -5.264 -18.061 585 HG3 GLN 507 HG3 GLN 507 11.827 -5.974 -19.656 586 HE21 GLN 507 HE21 GLN 507 12.991 -4.340 -20.658 587 HE22 GLN 507 HE22 GLN 507 12.365 -2.743 -20.847 588 H GLU 508 H GLU 508 12.472 -7.888 -17.898 589 HA GLU 508 HA GLU 508 12.680 -8.243 -15.040 590 HB2 GLU 508 HB2 GLU 508 15.030 -8.804 -15.479 591 HB3 GLU 508 HB3 GLU 508 13.948 -9.706 -16.532 592 HG2 GLU 508 HG2 GLU 508 14.480 -8.326 -18.397 593 HG3 GLU 508 HG3 GLU 508 15.354 -7.184 -17.383 594 H GLY 509 H GLY 509 14.019 -7.057 -13.623 595 HA2 GLY 509 HA2 GLY 509 15.697 -5.012 -13.882 596 HA3 GLY 509 HA3 GLY 509 14.184 -4.216 -14.287 597 H MET 510 H MET 510 14.983 -2.934 -12.341 598 HA MET 510 HA MET 510 14.315 -4.230 -9.796 599 HB2 MET 510 HB2 MET 510 16.421 -2.816 -10.123 600 HB3 MET 510 HB3 MET 510 15.361 -1.416 -10.180 601 HG2 MET 510 HG2 MET 510 15.646 -3.334 -7.874 602 HG3 MET 510 HG3 MET 510 16.308 -1.701 -7.966 603 HE1 MET 510 HE1 MET 510 14.317 -3.102 -5.726 604 HE2 MET 510 HE2 MET 510 13.322 -1.708 -5.306 605 HE3 MET 510 HE3 MET 510 15.066 -1.520 -5.499 606 H TYR 511 H TYR 511 12.217 -4.174 -9.241 607 HA TYR 511 HA TYR 511 10.640 -1.765 -9.904 608 HB2 TYR 511 HB2 TYR 511 9.748 -4.647 -9.676 609 HB3 TYR 511 HB3 TYR 511 8.635 -3.288 -9.790 610 HD1 TYR 511 HD1 TYR 511 11.254 -5.173 -11.610 611 HD2 TYR 511 HD2 TYR 511 8.177 -2.241 -11.889 612 HE1 TYR 511 HE1 TYR 511 11.396 -5.263 -14.063 613 HE2 TYR 511 HE2 TYR 511 8.305 -2.335 -14.343 614 HH TYR 511 HH TYR 511 9.952 -2.965 -16.083 615 H ARG 512 H ARG 512 10.418 -0.527 -8.146 616 HA ARG 512 HA ARG 512 10.110 -1.779 -5.514 617 HB2 ARG 512 HB2 ARG 512 11.721 0.000 -5.574 618 HB3 ARG 512 HB3 ARG 512 10.582 1.086 -6.357 619 HG2 ARG 512 HG2 ARG 512 9.238 1.201 -4.354 620 HG3 ARG 512 HG3 ARG 512 10.253 -0.005 -3.562 621 HD2 ARG 512 HD2 ARG 512 11.291 2.655 -4.548 622 HD3 ARG 512 HD3 ARG 512 10.695 2.390 -2.908 623 HE ARG 512 HE ARG 512 12.605 0.440 -3.376 624 HH11 ARG 512 HH11 ARG 512 12.503 3.879 -3.221 625 HH12 ARG 512 HH12 ARG 512 14.131 4.006 -2.659 626 HH21 ARG 512 HH21 ARG 512 14.666 0.613 -2.640 627 HH22 ARG 512 HH22 ARG 512 15.341 2.176 -2.320 628 H ILE 513 H ILE 513 8.188 -2.036 -4.593 629 HA ILE 513 HA ILE 513 5.836 -0.716 -5.750 630 HB ILE 513 HB ILE 513 5.995 -3.034 -3.806 631 HG12 ILE 513 HG12 ILE 513 5.400 -2.978 -6.782 632 HG13 ILE 513 HG13 ILE 513 6.854 -3.623 -6.028 633 HG21 ILE 513 HG21 ILE 513 3.616 -1.874 -5.265 634 HG22 ILE 513 HG22 ILE 513 3.929 -1.766 -3.533 635 HG23 ILE 513 HG23 ILE 513 3.601 -3.333 -4.271 636 HD11 ILE 513 HD11 ILE 513 5.534 -5.357 -4.943 637 HD12 ILE 513 HD12 ILE 513 5.325 -5.392 -6.694 638 HD13 ILE 513 HD13 ILE 513 4.065 -4.704 -5.669 639 H ASN 514 H ASN 514 4.924 0.961 -4.737 640 HA ASN 514 HA ASN 514 5.310 1.273 -1.824 641 HB2 ASN 514 HB2 ASN 514 5.219 3.427 -3.953 642 HB3 ASN 514 HB3 ASN 514 5.152 3.752 -2.224 643 HD21 ASN 514 HD21 ASN 514 6.998 3.315 -0.957 644 HD22 ASN 514 HD22 ASN 514 8.564 3.233 -1.672 645 H ALA 515 H ALA 515 3.531 1.701 -0.599 646 HA ALA 515 HA ALA 515 0.949 2.035 -2.005 647 HB1 ALA 515 HB1 ALA 515 -0.121 1.047 -0.031 648 HB2 ALA 515 HB2 ALA 515 1.460 0.860 0.733 649 HB3 ALA 515 HB3 ALA 515 1.074 -0.048 -0.728 650 H THR 516 H THR 516 -0.259 3.814 -1.578 651 HA THR 516 HA THR 516 0.668 5.660 0.546 652 HB THR 516 HB THR 516 -0.033 7.540 -0.960 653 HG1 THR 516 HG1 THR 516 -0.350 7.002 -3.184 654 HG21 THR 516 HG21 THR 516 1.894 7.433 -2.460 655 HG22 THR 516 HG22 THR 516 2.049 5.701 -2.167 656 HG23 THR 516 HG23 THR 516 2.335 6.847 -0.857 657 H VAL 517 H VAL 517 -0.871 6.601 1.828 658 HA VAL 517 HA VAL 517 -3.704 6.027 1.209 659 HB VAL 517 HB VAL 517 -2.903 4.968 3.288 660 HG11 VAL 517 HG11 VAL 517 -2.344 6.341 5.246 661 HG12 VAL 517 HG12 VAL 517 -2.406 7.789 4.241 662 HG13 VAL 517 HG13 VAL 517 -1.184 6.554 3.936 663 HG21 VAL 517 HG21 VAL 517 -5.248 5.574 3.117 664 HG22 VAL 517 HG22 VAL 517 -4.899 7.191 3.733 665 HG23 VAL 517 HG23 VAL 517 -4.684 5.785 4.775 666 H ASP 518 H ASP 518 -5.253 7.652 1.470 667 HA ASP 518 HA ASP 518 -6.132 9.728 1.256 668 HB2 ASP 518 HB2 ASP 518 -5.410 9.862 3.649 669 HB3 ASP 518 HB3 ASP 518 -3.904 10.606 3.117 670 H GLU 519 H GLU 519 -4.395 9.002 -0.811 671 HA GLU 519 HA GLU 519 -2.582 10.953 -1.621 672 HB2 GLU 519 HB2 GLU 519 -4.397 9.108 -3.156 673 HB3 GLU 519 HB3 GLU 519 -3.375 10.266 -3.996 674 HG2 GLU 519 HG2 GLU 519 -2.269 8.305 -2.010 675 HG3 GLU 519 HG3 GLU 519 -2.472 7.915 -3.717 676 H GLU 520 H GLU 520 -6.072 11.010 -1.651 677 HA GLU 520 HA GLU 520 -6.413 13.190 -3.424 678 HB2 GLU 520 HB2 GLU 520 -8.384 12.651 -1.229 679 HB3 GLU 520 HB3 GLU 520 -8.676 13.103 -2.901 680 HG2 GLU 520 HG2 GLU 520 -7.924 10.400 -1.816 681 HG3 GLU 520 HG3 GLU 520 -9.413 10.869 -2.628 682 H ASN 521 H ASN 521 -5.346 13.062 -0.162 683 HA ASN 521 HA ASN 521 -4.865 14.607 1.428 684 HB2 ASN 521 HB2 ASN 521 -5.157 16.478 -0.929 685 HB3 ASN 521 HB3 ASN 521 -4.754 17.061 0.681 686 HD21 ASN 521 HD21 ASN 521 -3.667 15.037 -1.967 687 HD22 ASN 521 HD22 ASN 521 -1.996 15.074 -1.537 688 H THR 522 H THR 522 -6.849 13.943 2.491 689 HA THR 522 HA THR 522 -8.884 16.092 2.533 690 HB THR 522 HB THR 522 -10.702 14.495 2.713 691 HG1 THR 522 HG1 THR 522 -8.645 12.518 2.510 692 HG21 THR 522 HG21 THR 522 -10.649 13.509 0.462 693 HG22 THR 522 HG22 THR 522 -8.920 13.837 0.358 694 HG23 THR 522 HG23 THR 522 -10.066 15.174 0.448 695 H VAL 523 H VAL 523 -6.836 14.059 4.365 696 HA VAL 523 HA VAL 523 -8.218 14.882 6.833 697 HB VAL 523 HB VAL 523 -8.838 12.547 6.381 698 HG11 VAL 523 HG11 VAL 523 -6.897 11.803 5.133 699 HG12 VAL 523 HG12 VAL 523 -7.162 10.756 6.528 700 HG13 VAL 523 HG13 VAL 523 -5.881 11.968 6.565 701 HG21 VAL 523 HG21 VAL 523 -8.230 11.622 8.570 702 HG22 VAL 523 HG22 VAL 523 -8.698 13.319 8.689 703 HG23 VAL 523 HG23 VAL 523 -6.994 12.867 8.755 704 H VAL 524 H VAL 524 -6.932 15.415 8.560 705 HA VAL 524 HA VAL 524 -4.025 15.463 8.116 706 HB VAL 524 HB VAL 524 -5.682 16.905 10.204 707 HG11 VAL 524 HG11 VAL 524 -3.419 16.463 11.001 708 HG12 VAL 524 HG12 VAL 524 -3.631 18.181 10.663 709 HG13 VAL 524 HG13 VAL 524 -2.746 17.162 9.529 710 HG21 VAL 524 HG21 VAL 524 -4.376 17.955 7.684 711 HG22 VAL 524 HG22 VAL 524 -5.214 18.928 8.893 712 HG23 VAL 524 HG23 VAL 524 -6.107 17.742 7.942 713 H GLU 525 H GLU 525 -2.840 13.875 9.017 714 HA GLU 525 HA GLU 525 -3.939 12.314 11.237 715 HB2 GLU 525 HB2 GLU 525 -1.308 11.817 9.830 716 HB3 GLU 525 HB3 GLU 525 -2.247 10.686 10.792 717 HG2 GLU 525 HG2 GLU 525 -2.591 9.995 8.597 718 HG3 GLU 525 HG3 GLU 525 -4.045 10.914 8.984 719 H LEU 526 H LEU 526 -2.236 11.549 12.903 720 HA LEU 526 HA LEU 526 -0.977 13.797 14.179 721 HB2 LEU 526 HB2 LEU 526 -0.845 10.828 14.748 722 HB3 LEU 526 HB3 LEU 526 -0.109 12.052 15.765 723 HG LEU 526 HG LEU 526 -3.076 11.833 15.211 724 HD11 LEU 526 HD11 LEU 526 -1.514 11.056 17.679 725 HD12 LEU 526 HD12 LEU 526 -2.256 9.940 16.530 726 HD13 LEU 526 HD13 LEU 526 -3.270 11.010 17.495 727 HD21 LEU 526 HD21 LEU 526 -1.556 13.558 17.172 728 HD22 LEU 526 HD22 LEU 526 -3.311 13.463 17.009 729 HD23 LEU 526 HD23 LEU 526 -2.339 14.118 15.692 730 H ASN 527 H ASN 527 0.039 11.245 12.051 731 HA ASN 527 HA ASN 527 2.751 12.382 11.905 732 HB2 ASN 527 HB2 ASN 527 2.899 10.372 13.299 733 HB3 ASN 527 HB3 ASN 527 2.043 9.435 12.080 734 HD21 ASN 527 HD21 ASN 527 3.720 7.977 11.867 735 HD22 ASN 527 HD22 ASN 527 5.211 8.378 11.098 736 H GLU 528 H GLU 528 3.672 12.330 9.818 737 HA GLU 528 HA GLU 528 1.885 11.340 7.679 738 HB2 GLU 528 HB2 GLU 528 2.657 13.207 6.268 739 HB3 GLU 528 HB3 GLU 528 1.833 13.751 7.718 740 HG2 GLU 528 HG2 GLU 528 3.592 15.222 7.601 741 HG3 GLU 528 HG3 GLU 528 4.232 13.994 8.692 742 H ASN 529 H ASN 529 4.722 10.640 9.112 743 HA ASN 529 HA ASN 529 6.280 10.068 6.718 744 HB2 ASN 529 HB2 ASN 529 6.831 9.383 9.617 745 HB3 ASN 529 HB3 ASN 529 7.963 9.178 8.283 746 HD21 ASN 529 HD21 ASN 529 8.842 11.029 7.294 747 HD22 ASN 529 HD22 ASN 529 8.833 12.566 8.088 748 H ASN 530 H ASN 530 3.722 8.572 8.178 749 HA ASN 530 HA ASN 530 4.680 5.839 7.581 750 HB2 ASN 530 HB2 ASN 530 2.849 5.093 9.131 751 HB3 ASN 530 HB3 ASN 530 4.115 6.040 9.905 752 HD21 ASN 530 HD21 ASN 530 1.382 5.611 10.773 753 HD22 ASN 530 HD22 ASN 530 0.671 7.178 10.902 754 H ASN 531 H ASN 531 2.775 8.214 6.261 755 HA ASN 531 HA ASN 531 0.480 6.751 5.445 756 HB2 ASN 531 HB2 ASN 531 1.696 9.192 4.129 757 HB3 ASN 531 HB3 ASN 531 0.050 8.601 3.911 758 HD21 ASN 531 HD21 ASN 531 -0.985 10.382 4.700 759 HD22 ASN 531 HD22 ASN 531 -0.887 10.886 6.347 760 H VAL 532 H VAL 532 3.708 6.686 4.321 761 HA VAL 532 HA VAL 532 2.877 5.264 1.864 762 HB VAL 532 HB VAL 532 5.394 6.920 2.185 763 HG11 VAL 532 HG11 VAL 532 5.637 6.617 -0.238 764 HG12 VAL 532 HG12 VAL 532 4.200 5.597 -0.256 765 HG13 VAL 532 HG13 VAL 532 5.645 5.069 0.609 766 HG21 VAL 532 HG21 VAL 532 4.338 8.530 0.646 767 HG22 VAL 532 HG22 VAL 532 3.452 8.385 2.166 768 HG23 VAL 532 HG23 VAL 532 2.844 7.596 0.711 769 H ALA 533 H ALA 533 3.674 3.242 1.626 770 HA ALA 533 HA ALA 533 5.850 2.367 3.435 771 HB1 ALA 533 HB1 ALA 533 3.674 0.678 2.188 772 HB2 ALA 533 HB2 ALA 533 3.701 1.249 3.857 773 HB3 ALA 533 HB3 ALA 533 4.928 0.115 3.295 774 H THR 534 H THR 534 7.621 1.342 2.591 775 HA THR 534 HA THR 534 7.799 1.208 -0.357 776 HB THR 534 HB THR 534 9.954 1.738 1.702 777 HG1 THR 534 HG1 THR 534 10.074 3.738 0.609 778 HG21 THR 534 HG21 THR 534 11.521 1.937 -0.188 779 HG22 THR 534 HG22 THR 534 10.257 1.389 -1.290 780 HG23 THR 534 HG23 THR 534 10.880 0.300 -0.051 781 H PHE 535 H PHE 535 8.060 -0.731 -1.266 782 HA PHE 535 HA PHE 535 9.557 -2.818 0.183 783 HB2 PHE 535 HB2 PHE 535 7.094 -3.273 0.293 784 HB3 PHE 535 HB3 PHE 535 7.065 -3.335 -1.466 785 HD1 PHE 535 HD1 PHE 535 8.471 -4.963 1.550 786 HD2 PHE 535 HD2 PHE 535 7.666 -5.318 -2.620 787 HE1 PHE 535 HE1 PHE 535 9.057 -7.352 1.643 788 HE2 PHE 535 HE2 PHE 535 8.245 -7.707 -2.529 789 HZ PHE 535 HZ PHE 535 8.943 -8.726 -0.400 790 H ASP 536 H ASP 536 11.180 -3.654 -1.016 791 HA ASP 536 HA ASP 536 11.437 -2.759 -3.793 792 HB2 ASP 536 HB2 ASP 536 13.469 -4.051 -1.953 793 HB3 ASP 536 HB3 ASP 536 13.802 -3.380 -3.547 794 H VAL 537 H VAL 537 11.063 -4.093 -5.475 795 HA VAL 537 HA VAL 537 11.329 -7.011 -5.060 796 HB VAL 537 HB VAL 537 9.498 -5.616 -7.031 797 HG11 VAL 537 HG11 VAL 537 9.812 -8.541 -6.338 798 HG12 VAL 537 HG12 VAL 537 10.244 -7.769 -7.864 799 HG13 VAL 537 HG13 VAL 537 8.552 -7.873 -7.377 800 HG21 VAL 537 HG21 VAL 537 8.819 -7.045 -4.454 801 HG22 VAL 537 HG22 VAL 537 7.659 -6.388 -5.610 802 HG23 VAL 537 HG23 VAL 537 8.734 -5.303 -4.728 803 H SER 538 H SER 538 12.818 -8.017 -6.278 804 HA SER 538 HA SER 538 13.970 -6.602 -8.594 805 HB2 SER 538 HB2 SER 538 15.583 -7.226 -6.836 806 HB3 SER 538 HB3 SER 538 15.111 -8.918 -6.998 807 HG SER 538 HG SER 538 16.946 -8.591 -8.231 808 H VAL 539 H VAL 539 13.389 -7.275 -10.553 809 HA VAL 539 HA VAL 539 12.212 -9.965 -10.843 810 HB VAL 539 HB VAL 539 11.966 -7.588 -12.701 811 HG11 VAL 539 HG11 VAL 539 10.178 -8.894 -13.775 812 HG12 VAL 539 HG12 VAL 539 10.538 -10.255 -12.713 813 HG13 VAL 539 HG13 VAL 539 11.739 -9.708 -13.883 814 HG21 VAL 539 HG21 VAL 539 10.852 -7.168 -10.569 815 HG22 VAL 539 HG22 VAL 539 9.989 -8.701 -10.702 816 HG23 VAL 539 HG23 VAL 539 9.667 -7.404 -11.855 817 H VAL 540 H VAL 540 13.217 -11.488 -11.986 818 HA VAL 540 HA VAL 540 15.370 -10.710 -13.868 819 HB VAL 540 HB VAL 540 16.540 -12.815 -13.286 820 HG11 VAL 540 HG11 VAL 540 17.195 -10.733 -12.187 821 HG12 VAL 540 HG12 VAL 540 17.383 -12.103 -11.092 822 HG13 VAL 540 HG13 VAL 540 16.005 -11.014 -10.915 823 HG21 VAL 540 HG21 VAL 540 15.876 -14.091 -11.303 824 HG22 VAL 540 HG22 VAL 540 14.595 -14.104 -12.514 825 HG23 VAL 540 HG23 VAL 540 14.460 -13.060 -11.097 826 H LEU 541 H LEU 541 15.762 -12.255 -15.649 827 HA LEU 541 HA LEU 541 13.329 -13.220 -16.807 828 HB2 LEU 541 HB2 LEU 541 16.203 -13.577 -17.658 829 HB3 LEU 541 HB3 LEU 541 14.831 -14.141 -18.596 830 HG LEU 541 HG LEU 541 15.444 -11.260 -17.914 831 HD11 LEU 541 HD11 LEU 541 15.872 -11.002 -20.294 832 HD12 LEU 541 HD12 LEU 541 15.571 -12.721 -20.553 833 HD13 LEU 541 HD13 LEU 541 16.954 -12.202 -19.588 834 HD21 LEU 541 HD21 LEU 541 13.040 -11.619 -18.004 835 HD22 LEU 541 HD22 LEU 541 13.198 -12.432 -19.562 836 HD23 LEU 541 HD23 LEU 541 13.575 -10.714 -19.418 837 H GLU 542 H GLU 542 15.568 -14.646 -14.676 838 HA GLU 542 HA GLU 542 14.874 -17.380 -15.460 839 HB2 GLU 542 HB2 GLU 542 16.625 -17.982 -13.705 840 HB3 GLU 542 HB3 GLU 542 17.196 -17.153 -15.145 841 HG2 GLU 542 HG2 GLU 542 17.166 -15.018 -13.857 842 HG3 GLU 542 HG3 GLU 542 16.762 -15.950 -12.416 Start of MODEL 5 1 H1 MET 435 H1 MET 435 -9.813 16.593 22.157 2 H2 MET 435 H2 MET 435 -11.211 15.983 21.426 3 H3 MET 435 H3 MET 435 -11.111 17.623 21.819 4 HA MET 435 HA MET 435 -10.818 17.270 19.452 5 HB2 MET 435 HB2 MET 435 -9.668 19.124 20.741 6 HB3 MET 435 HB3 MET 435 -8.217 18.132 20.736 7 HG2 MET 435 HG2 MET 435 -8.163 19.822 18.985 8 HG3 MET 435 HG3 MET 435 -8.161 18.192 18.308 9 HE1 MET 435 HE1 MET 435 -10.202 20.442 15.734 10 HE2 MET 435 HE2 MET 435 -8.750 19.467 15.957 11 HE3 MET 435 HE3 MET 435 -8.901 21.024 16.772 12 H GLU 436 H GLU 436 -10.744 15.229 18.575 13 HA GLU 436 HA GLU 436 -8.312 13.613 18.931 14 HB2 GLU 436 HB2 GLU 436 -11.078 12.934 17.922 15 HB3 GLU 436 HB3 GLU 436 -9.723 11.826 17.785 16 HG2 GLU 436 HG2 GLU 436 -11.119 11.292 19.697 17 HG3 GLU 436 HG3 GLU 436 -9.495 11.752 20.197 18 H PHE 437 H PHE 437 -6.924 13.200 17.324 19 HA PHE 437 HA PHE 437 -7.697 13.854 14.549 20 HB2 PHE 437 HB2 PHE 437 -4.911 14.002 15.735 21 HB3 PHE 437 HB3 PHE 437 -5.351 14.388 14.077 22 HD1 PHE 437 HD1 PHE 437 -6.831 16.381 13.647 23 HD2 PHE 437 HD2 PHE 437 -5.061 15.607 17.443 24 HE1 PHE 437 HE1 PHE 437 -7.192 18.727 14.292 25 HE2 PHE 437 HE2 PHE 437 -5.422 17.951 18.092 26 HZ PHE 437 HZ PHE 437 -6.488 19.513 16.519 27 HA PRO 438 HA PRO 438 -6.886 9.491 13.979 28 HB2 PRO 438 HB2 PRO 438 -7.135 9.388 11.284 29 HB3 PRO 438 HB3 PRO 438 -8.520 9.553 12.370 30 HG2 PRO 438 HG2 PRO 438 -7.092 11.654 10.793 31 HG3 PRO 438 HG3 PRO 438 -8.831 11.429 11.037 32 HD2 PRO 438 HD2 PRO 438 -7.349 13.252 12.423 33 HD3 PRO 438 HD3 PRO 438 -8.804 12.479 13.084 34 H ASP 439 H ASP 439 -5.518 8.086 12.564 35 HA ASP 439 HA ASP 439 -3.121 9.252 11.424 36 HB2 ASP 439 HB2 ASP 439 -2.643 9.062 13.882 37 HB3 ASP 439 HB3 ASP 439 -2.937 7.330 13.769 38 H LEU 440 H LEU 440 -3.175 8.211 9.494 39 HA LEU 440 HA LEU 440 -3.896 5.349 9.448 40 HB2 LEU 440 HB2 LEU 440 -3.807 7.357 7.189 41 HB3 LEU 440 HB3 LEU 440 -4.313 5.683 7.046 42 HG LEU 440 HG LEU 440 -5.719 7.783 8.710 43 HD11 LEU 440 HD11 LEU 440 -6.446 6.597 6.031 44 HD12 LEU 440 HD12 LEU 440 -5.960 8.263 6.350 45 HD13 LEU 440 HD13 LEU 440 -7.481 7.648 6.998 46 HD21 LEU 440 HD21 LEU 440 -6.489 4.932 8.059 47 HD22 LEU 440 HD22 LEU 440 -7.507 6.098 8.903 48 HD23 LEU 440 HD23 LEU 440 -6.004 5.548 9.639 49 H THR 441 H THR 441 -2.657 3.895 8.089 50 HA THR 441 HA THR 441 -0.175 4.782 6.932 51 HB THR 441 HB THR 441 0.712 4.697 9.121 52 HG1 THR 441 HG1 THR 441 2.145 3.670 7.781 53 HG21 THR 441 HG21 THR 441 -1.090 3.502 10.241 54 HG22 THR 441 HG22 THR 441 0.466 2.764 10.620 55 HG23 THR 441 HG23 THR 441 -0.607 2.000 9.448 56 H VAL 442 H VAL 442 0.868 3.225 5.649 57 HA VAL 442 HA VAL 442 -0.718 0.785 5.135 58 HB VAL 442 HB VAL 442 -0.113 0.977 2.748 59 HG11 VAL 442 HG11 VAL 442 -1.600 2.837 2.177 60 HG12 VAL 442 HG12 VAL 442 -1.479 3.450 3.826 61 HG13 VAL 442 HG13 VAL 442 -2.250 1.897 3.519 62 HG21 VAL 442 HG21 VAL 442 1.068 3.648 3.531 63 HG22 VAL 442 HG22 VAL 442 0.860 3.059 1.880 64 HG23 VAL 442 HG23 VAL 442 1.966 2.236 2.977 65 H GLU 443 H GLU 443 0.385 -1.097 4.577 66 HA GLU 443 HA GLU 443 3.330 -1.063 4.605 67 HB2 GLU 443 HB2 GLU 443 1.573 -2.813 6.349 68 HB3 GLU 443 HB3 GLU 443 3.297 -3.070 6.119 69 HG2 GLU 443 HG2 GLU 443 3.799 -0.941 7.149 70 HG3 GLU 443 HG3 GLU 443 2.084 -0.561 7.271 71 H ILE 444 H ILE 444 4.258 -2.478 3.187 72 HA ILE 444 HA ILE 444 2.451 -4.243 1.648 73 HB ILE 444 HB ILE 444 5.133 -3.107 0.797 74 HG12 ILE 444 HG12 ILE 444 2.339 -2.292 -0.058 75 HG13 ILE 444 HG13 ILE 444 3.384 -1.359 1.007 76 HG21 ILE 444 HG21 ILE 444 3.049 -4.621 -0.791 77 HG22 ILE 444 HG22 ILE 444 4.612 -5.250 -0.267 78 HG23 ILE 444 HG23 ILE 444 4.541 -3.930 -1.433 79 HD11 ILE 444 HD11 ILE 444 3.394 -0.468 -1.249 80 HD12 ILE 444 HD12 ILE 444 3.946 -2.021 -1.877 81 HD13 ILE 444 HD13 ILE 444 4.987 -1.080 -0.809 82 H LYS 445 H LYS 445 2.815 -6.408 1.643 83 HA LYS 445 HA LYS 445 5.418 -7.422 2.598 84 HB2 LYS 445 HB2 LYS 445 3.514 -7.427 4.360 85 HB3 LYS 445 HB3 LYS 445 2.817 -8.727 3.407 86 HG2 LYS 445 HG2 LYS 445 4.062 -9.682 5.214 87 HG3 LYS 445 HG3 LYS 445 4.926 -10.013 3.706 88 HD2 LYS 445 HD2 LYS 445 6.477 -8.201 4.156 89 HD3 LYS 445 HD3 LYS 445 5.572 -7.740 5.599 90 HE2 LYS 445 HE2 LYS 445 7.559 -8.988 6.211 91 HE3 LYS 445 HE3 LYS 445 6.111 -9.911 6.614 92 HZ1 LYS 445 HZ1 LYS 445 6.438 -11.252 4.654 93 HZ2 LYS 445 HZ2 LYS 445 7.848 -11.271 5.589 94 HZ3 LYS 445 HZ3 LYS 445 7.775 -10.328 4.189 95 H GLY 446 H GLY 446 6.109 -9.378 1.659 96 HA2 GLY 446 HA2 GLY 446 4.789 -11.347 0.380 97 HA3 GLY 446 HA3 GLY 446 4.784 -10.086 -0.838 98 HA PRO 447 HA PRO 447 8.668 -12.694 -1.301 99 HB2 PRO 447 HB2 PRO 447 8.344 -13.230 -3.951 100 HB3 PRO 447 HB3 PRO 447 7.633 -14.221 -2.672 101 HG2 PRO 447 HG2 PRO 447 6.357 -12.065 -4.324 102 HG3 PRO 447 HG3 PRO 447 5.716 -13.658 -3.878 103 HD2 PRO 447 HD2 PRO 447 4.989 -11.392 -2.584 104 HD3 PRO 447 HD3 PRO 447 5.101 -12.961 -1.760 105 H ASP 448 H ASP 448 10.470 -11.512 -1.508 106 HA ASP 448 HA ASP 448 10.439 -8.991 -2.931 107 HB2 ASP 448 HB2 ASP 448 12.738 -8.735 -1.978 108 HB3 ASP 448 HB3 ASP 448 11.490 -9.029 -0.769 109 H VAL 449 H VAL 449 11.192 -12.157 -3.808 110 HA VAL 449 HA VAL 449 12.661 -11.184 -6.178 111 HB VAL 449 HB VAL 449 13.264 -13.769 -4.706 112 HG11 VAL 449 HG11 VAL 449 13.487 -14.014 -7.132 113 HG12 VAL 449 HG12 VAL 449 15.065 -14.062 -6.347 114 HG13 VAL 449 HG13 VAL 449 14.543 -12.601 -7.187 115 HG21 VAL 449 HG21 VAL 449 14.170 -11.828 -3.529 116 HG22 VAL 449 HG22 VAL 449 14.938 -11.266 -5.016 117 HG23 VAL 449 HG23 VAL 449 15.471 -12.769 -4.260 118 H VAL 450 H VAL 450 11.575 -11.653 -8.008 119 HA VAL 450 HA VAL 450 9.937 -14.100 -8.119 120 HB VAL 450 HB VAL 450 8.090 -12.935 -9.224 121 HG11 VAL 450 HG11 VAL 450 7.192 -11.731 -7.280 122 HG12 VAL 450 HG12 VAL 450 8.800 -11.709 -6.554 123 HG13 VAL 450 HG13 VAL 450 7.970 -13.243 -6.812 124 HG21 VAL 450 HG21 VAL 450 9.636 -10.399 -8.653 125 HG22 VAL 450 HG22 VAL 450 7.976 -10.474 -9.249 126 HG23 VAL 450 HG23 VAL 450 9.299 -11.086 -10.242 127 H GLY 451 H GLY 451 9.256 -14.657 -10.365 128 HA2 GLY 451 HA2 GLY 451 11.501 -14.204 -12.204 129 HA3 GLY 451 HA3 GLY 451 10.293 -15.471 -12.331 130 H VAL 452 H VAL 452 11.069 -13.942 -14.532 131 HA VAL 452 HA VAL 452 9.278 -11.753 -14.968 132 HB VAL 452 HB VAL 452 11.510 -11.970 -16.080 133 HG11 VAL 452 HG11 VAL 452 11.701 -13.349 -18.109 134 HG12 VAL 452 HG12 VAL 452 10.121 -14.054 -17.765 135 HG13 VAL 452 HG13 VAL 452 11.468 -14.327 -16.660 136 HG21 VAL 452 HG21 VAL 452 9.145 -11.624 -17.926 137 HG22 VAL 452 HG22 VAL 452 10.787 -11.064 -18.248 138 HG23 VAL 452 HG23 VAL 452 9.867 -10.380 -16.907 139 H ASN 453 H ASN 453 7.412 -11.661 -16.159 140 HA ASN 453 HA ASN 453 5.373 -12.302 -16.899 141 HB2 ASN 453 HB2 ASN 453 6.945 -14.592 -18.107 142 HB3 ASN 453 HB3 ASN 453 5.282 -14.189 -18.519 143 HD21 ASN 453 HD21 ASN 453 8.598 -13.330 -18.884 144 HD22 ASN 453 HD22 ASN 453 8.363 -12.102 -20.074 145 H LYS 454 H LYS 454 6.579 -13.527 -14.330 146 HA LYS 454 HA LYS 454 4.806 -15.848 -14.022 147 HB2 LYS 454 HB2 LYS 454 7.012 -14.769 -12.252 148 HB3 LYS 454 HB3 LYS 454 6.007 -16.151 -11.841 149 HG2 LYS 454 HG2 LYS 454 7.857 -15.960 -14.218 150 HG3 LYS 454 HG3 LYS 454 8.177 -16.841 -12.724 151 HD2 LYS 454 HD2 LYS 454 5.965 -17.418 -14.706 152 HD3 LYS 454 HD3 LYS 454 7.436 -18.365 -14.476 153 HE2 LYS 454 HE2 LYS 454 5.253 -17.947 -12.428 154 HE3 LYS 454 HE3 LYS 454 5.527 -19.415 -13.362 155 HZ1 LYS 454 HZ1 LYS 454 7.505 -18.247 -11.488 156 HZ2 LYS 454 HZ2 LYS 454 7.603 -19.739 -12.271 157 HZ3 LYS 454 HZ3 LYS 454 6.431 -19.486 -11.082 158 H LEU 455 H LEU 455 3.449 -16.023 -12.119 159 HA LEU 455 HA LEU 455 2.239 -13.448 -11.413 160 HB2 LEU 455 HB2 LEU 455 0.885 -15.372 -12.311 161 HB3 LEU 455 HB3 LEU 455 1.233 -16.235 -10.825 162 HG LEU 455 HG LEU 455 0.084 -14.416 -9.551 163 HD11 LEU 455 HD11 LEU 455 -1.361 -12.860 -10.816 164 HD12 LEU 455 HD12 LEU 455 -0.616 -13.420 -12.312 165 HD13 LEU 455 HD13 LEU 455 0.358 -12.586 -11.100 166 HD21 LEU 455 HD21 LEU 455 -1.590 -15.762 -11.680 167 HD22 LEU 455 HD22 LEU 455 -2.186 -15.090 -10.162 168 HD23 LEU 455 HD23 LEU 455 -1.099 -16.477 -10.144 169 H ALA 456 H ALA 456 2.427 -12.554 -9.422 170 HA ALA 456 HA ALA 456 3.196 -14.273 -7.145 171 HB1 ALA 456 HB1 ALA 456 5.204 -13.111 -7.972 172 HB2 ALA 456 HB2 ALA 456 4.761 -12.588 -6.347 173 HB3 ALA 456 HB3 ALA 456 4.397 -11.562 -7.735 174 H GLU 457 H GLU 457 2.045 -13.897 -5.290 175 HA GLU 457 HA GLU 457 0.116 -11.678 -5.328 176 HB2 GLU 457 HB2 GLU 457 0.189 -14.296 -3.841 177 HB3 GLU 457 HB3 GLU 457 -0.872 -12.990 -3.326 178 HG2 GLU 457 HG2 GLU 457 -2.008 -13.006 -5.448 179 HG3 GLU 457 HG3 GLU 457 -0.889 -14.217 -6.082 180 H TYR 458 H TYR 458 0.172 -10.037 -3.951 181 HA TYR 458 HA TYR 458 2.046 -10.122 -1.662 182 HB2 TYR 458 HB2 TYR 458 1.378 -7.789 -3.477 183 HB3 TYR 458 HB3 TYR 458 2.306 -7.649 -1.990 184 HD1 TYR 458 HD1 TYR 458 2.334 -9.165 -5.389 185 HD2 TYR 458 HD2 TYR 458 4.626 -8.100 -1.960 186 HE1 TYR 458 HE1 TYR 458 4.406 -9.617 -6.633 187 HE2 TYR 458 HE2 TYR 458 6.698 -8.551 -3.198 188 HH TYR 458 HH TYR 458 7.486 -9.769 -5.094 189 H GLU 459 H GLU 459 1.457 -8.569 0.091 190 HA GLU 459 HA GLU 459 -1.473 -8.269 0.329 191 HB2 GLU 459 HB2 GLU 459 0.551 -9.070 2.421 192 HB3 GLU 459 HB3 GLU 459 -1.072 -8.531 2.828 193 HG2 GLU 459 HG2 GLU 459 -2.016 -10.390 1.553 194 HG3 GLU 459 HG3 GLU 459 -0.389 -10.927 1.134 195 H VAL 460 H VAL 460 -2.174 -6.262 0.614 196 HA VAL 460 HA VAL 460 -0.357 -4.198 1.645 197 HB VAL 460 HB VAL 460 -3.122 -3.869 0.435 198 HG11 VAL 460 HG11 VAL 460 -2.525 -2.055 1.964 199 HG12 VAL 460 HG12 VAL 460 -2.539 -1.487 0.294 200 HG13 VAL 460 HG13 VAL 460 -1.005 -1.812 1.103 201 HG21 VAL 460 HG21 VAL 460 -1.957 -3.042 -1.562 202 HG22 VAL 460 HG22 VAL 460 -1.538 -4.721 -1.219 203 HG23 VAL 460 HG23 VAL 460 -0.404 -3.428 -0.820 204 H HIS 461 H HIS 461 -0.402 -3.948 3.789 205 HA HIS 461 HA HIS 461 -2.872 -4.476 5.289 206 HB2 HIS 461 HB2 HIS 461 0.023 -4.238 6.124 207 HB3 HIS 461 HB3 HIS 461 -1.290 -4.261 7.295 208 HD1 HIS 461 HD1 HIS 461 -1.891 -6.500 8.143 209 HD2 HIS 461 HD2 HIS 461 -0.025 -6.711 4.431 210 HE1 HIS 461 HE1 HIS 461 -1.635 -8.950 7.657 211 HE2 HIS 461 HE2 HIS 461 -0.656 -9.058 5.339 212 H VAL 462 H VAL 462 -4.150 -2.758 5.520 213 HA VAL 462 HA VAL 462 -2.925 -0.109 5.947 214 HB VAL 462 HB VAL 462 -4.997 0.888 5.114 215 HG11 VAL 462 HG11 VAL 462 -3.214 0.378 3.522 216 HG12 VAL 462 HG12 VAL 462 -4.799 0.226 2.764 217 HG13 VAL 462 HG13 VAL 462 -3.907 -1.218 3.241 218 HG21 VAL 462 HG21 VAL 462 -6.620 -0.787 5.804 219 HG22 VAL 462 HG22 VAL 462 -5.934 -1.956 4.675 220 HG23 VAL 462 HG23 VAL 462 -6.747 -0.515 4.067 221 H LYS 463 H LYS 463 -3.169 0.799 7.899 222 HA LYS 463 HA LYS 463 -5.282 -0.206 9.687 223 HB2 LYS 463 HB2 LYS 463 -3.509 -0.226 11.532 224 HB3 LYS 463 HB3 LYS 463 -3.493 -1.546 10.370 225 HG2 LYS 463 HG2 LYS 463 -1.551 -0.840 9.369 226 HG3 LYS 463 HG3 LYS 463 -1.783 0.841 9.848 227 HD2 LYS 463 HD2 LYS 463 0.046 -0.102 11.115 228 HD3 LYS 463 HD3 LYS 463 -1.317 0.198 12.192 229 HE2 LYS 463 HE2 LYS 463 -0.301 -1.947 12.699 230 HE3 LYS 463 HE3 LYS 463 -1.931 -2.176 12.067 231 HZ1 LYS 463 HZ1 LYS 463 -0.329 -3.739 11.127 232 HZ2 LYS 463 HZ2 LYS 463 0.559 -2.459 10.473 233 HZ3 LYS 463 HZ3 LYS 463 -1.015 -2.764 9.936 234 H ASN 464 H ASN 464 -5.912 1.122 11.365 235 HA ASN 464 HA ASN 464 -5.083 3.947 11.198 236 HB2 ASN 464 HB2 ASN 464 -7.502 3.376 10.847 237 HB3 ASN 464 HB3 ASN 464 -7.551 2.735 12.483 238 HD21 ASN 464 HD21 ASN 464 -9.086 4.868 11.302 239 HD22 ASN 464 HD22 ASN 464 -8.788 6.273 12.264 240 H LEU 465 H LEU 465 -3.952 4.789 12.863 241 HA LEU 465 HA LEU 465 -3.628 3.186 15.314 242 HB2 LEU 465 HB2 LEU 465 -1.849 5.353 14.185 243 HB3 LEU 465 HB3 LEU 465 -1.509 4.377 15.604 244 HG LEU 465 HG LEU 465 -1.758 3.305 12.783 245 HD11 LEU 465 HD11 LEU 465 0.223 4.702 13.029 246 HD12 LEU 465 HD12 LEU 465 0.662 2.999 12.883 247 HD13 LEU 465 HD13 LEU 465 0.704 3.786 14.462 248 HD21 LEU 465 HD21 LEU 465 -0.849 1.235 13.737 249 HD22 LEU 465 HD22 LEU 465 -2.396 1.663 14.467 250 HD23 LEU 465 HD23 LEU 465 -0.897 1.957 15.346 251 H GLY 466 H GLY 466 -4.831 6.199 14.144 252 HA2 GLY 466 HA2 GLY 466 -4.310 7.908 16.309 253 HA3 GLY 466 HA3 GLY 466 -5.599 8.118 15.142 254 H GLY 467 H GLY 467 -6.777 5.445 16.016 255 HA2 GLY 467 HA2 GLY 467 -8.112 4.615 17.762 256 HA3 GLY 467 HA3 GLY 467 -7.662 6.001 18.739 257 H ILE 468 H ILE 468 -8.751 6.720 15.589 258 HA ILE 468 HA ILE 468 -11.537 7.111 16.431 259 HB ILE 468 HB ILE 468 -10.679 9.272 16.825 260 HG12 ILE 468 HG12 ILE 468 -11.764 9.373 13.994 261 HG13 ILE 468 HG13 ILE 468 -12.756 9.246 15.447 262 HG21 ILE 468 HG21 ILE 468 -9.257 10.512 15.262 263 HG22 ILE 468 HG22 ILE 468 -9.236 9.117 14.183 264 HG23 ILE 468 HG23 ILE 468 -8.504 9.003 15.782 265 HD11 ILE 468 HD11 ILE 468 -10.947 11.544 14.720 266 HD12 ILE 468 HD12 ILE 468 -11.913 11.421 16.191 267 HD13 ILE 468 HD13 ILE 468 -12.708 11.519 14.621 268 H GLY 469 H GLY 469 -13.057 6.897 14.786 269 HA2 GLY 469 HA2 GLY 469 -12.308 5.236 12.606 270 HA3 GLY 469 HA3 GLY 469 -13.901 5.906 12.895 271 H VAL 470 H VAL 470 -11.972 5.603 10.494 272 HA VAL 470 HA VAL 470 -12.384 8.331 9.434 273 HB VAL 470 HB VAL 470 -10.057 6.511 8.757 274 HG11 VAL 470 HG11 VAL 470 -10.622 9.368 7.936 275 HG12 VAL 470 HG12 VAL 470 -10.720 7.947 6.894 276 HG13 VAL 470 HG13 VAL 470 -9.163 8.451 7.553 277 HG21 VAL 470 HG21 VAL 470 -10.107 9.013 10.451 278 HG22 VAL 470 HG22 VAL 470 -8.658 8.140 9.951 279 HG23 VAL 470 HG23 VAL 470 -9.825 7.367 11.023 280 HA PRO 471 HA PRO 471 -14.438 5.806 6.245 281 HB2 PRO 471 HB2 PRO 471 -16.229 7.628 5.477 282 HB3 PRO 471 HB3 PRO 471 -16.379 6.817 7.042 283 HG2 PRO 471 HG2 PRO 471 -15.372 9.566 6.422 284 HG3 PRO 471 HG3 PRO 471 -16.391 9.022 7.766 285 HD2 PRO 471 HD2 PRO 471 -13.627 9.433 7.893 286 HD3 PRO 471 HD3 PRO 471 -14.579 8.480 9.049 287 H SER 472 H SER 472 -12.482 8.550 6.032 288 HA SER 472 HA SER 472 -12.884 9.113 3.207 289 HB2 SER 472 HB2 SER 472 -11.365 10.989 3.564 290 HB3 SER 472 HB3 SER 472 -12.605 10.960 4.819 291 HG SER 472 HG SER 472 -9.868 10.616 5.010 292 H THR 473 H THR 473 -11.422 6.552 4.240 293 HA THR 473 HA THR 473 -8.630 7.127 3.653 294 HB THR 473 HB THR 473 -9.918 4.554 4.606 295 HG1 THR 473 HG1 THR 473 -8.833 6.793 5.950 296 HG21 THR 473 HG21 THR 473 -7.011 5.388 4.567 297 HG22 THR 473 HG22 THR 473 -7.745 4.150 3.550 298 HG23 THR 473 HG23 THR 473 -7.646 3.914 5.295 299 H LYS 474 H LYS 474 -8.085 7.124 1.568 300 HA LYS 474 HA LYS 474 -8.907 4.879 -0.174 301 HB2 LYS 474 HB2 LYS 474 -7.834 7.602 -0.966 302 HB3 LYS 474 HB3 LYS 474 -8.382 6.347 -2.069 303 HG2 LYS 474 HG2 LYS 474 -10.658 6.569 -1.227 304 HG3 LYS 474 HG3 LYS 474 -10.122 7.777 -0.057 305 HD2 LYS 474 HD2 LYS 474 -9.418 9.238 -1.918 306 HD3 LYS 474 HD3 LYS 474 -10.006 8.037 -3.069 307 HE2 LYS 474 HE2 LYS 474 -12.274 8.297 -2.181 308 HE3 LYS 474 HE3 LYS 474 -11.687 9.493 -1.022 309 HZ1 LYS 474 HZ1 LYS 474 -11.050 10.915 -2.859 310 HZ2 LYS 474 HZ2 LYS 474 -12.692 10.526 -2.965 311 HZ3 LYS 474 HZ3 LYS 474 -11.573 9.762 -3.977 312 H VAL 475 H VAL 475 -7.370 3.502 -0.937 313 HA VAL 475 HA VAL 475 -4.534 4.075 -0.287 314 HB VAL 475 HB VAL 475 -5.842 1.369 -0.656 315 HG11 VAL 475 HG11 VAL 475 -3.099 2.141 0.350 316 HG12 VAL 475 HG12 VAL 475 -3.470 1.332 -1.172 317 HG13 VAL 475 HG13 VAL 475 -3.763 0.507 0.359 318 HG21 VAL 475 HG21 VAL 475 -5.118 2.828 1.892 319 HG22 VAL 475 HG22 VAL 475 -5.651 1.149 1.794 320 HG23 VAL 475 HG23 VAL 475 -6.745 2.448 1.323 321 H ARG 476 H ARG 476 -3.001 3.955 -1.866 322 HA ARG 476 HA ARG 476 -3.769 2.939 -4.535 323 HB2 ARG 476 HB2 ARG 476 -2.287 5.511 -3.930 324 HB3 ARG 476 HB3 ARG 476 -2.443 4.812 -5.536 325 HG2 ARG 476 HG2 ARG 476 -4.849 5.090 -5.460 326 HG3 ARG 476 HG3 ARG 476 -4.748 5.710 -3.810 327 HD2 ARG 476 HD2 ARG 476 -3.432 7.614 -4.595 328 HD3 ARG 476 HD3 ARG 476 -3.481 6.985 -6.241 329 HE ARG 476 HE ARG 476 -6.009 7.249 -5.960 330 HH11 ARG 476 HH11 ARG 476 -3.679 9.319 -4.486 331 HH12 ARG 476 HH12 ARG 476 -4.755 10.679 -4.468 332 HH21 ARG 476 HH21 ARG 476 -7.352 8.992 -5.964 333 HH22 ARG 476 HH22 ARG 476 -6.809 10.501 -5.303 334 H VAL 477 H VAL 477 -2.180 1.850 -5.674 335 HA VAL 477 HA VAL 477 0.456 1.559 -4.356 336 HB VAL 477 HB VAL 477 -1.086 -0.537 -5.913 337 HG11 VAL 477 HG11 VAL 477 1.636 -0.749 -4.608 338 HG12 VAL 477 HG12 VAL 477 1.321 -0.710 -6.342 339 HG13 VAL 477 HG13 VAL 477 0.748 -2.067 -5.375 340 HG21 VAL 477 HG21 VAL 477 -1.121 -1.765 -3.777 341 HG22 VAL 477 HG22 VAL 477 -1.964 -0.220 -3.666 342 HG23 VAL 477 HG23 VAL 477 -0.347 -0.392 -2.984 343 H TYR 478 H TYR 478 2.115 2.255 -5.523 344 HA TYR 478 HA TYR 478 1.881 2.445 -8.465 345 HB2 TYR 478 HB2 TYR 478 3.622 4.072 -6.583 346 HB3 TYR 478 HB3 TYR 478 3.558 4.254 -8.331 347 HD1 TYR 478 HD1 TYR 478 1.586 4.641 -5.215 348 HD2 TYR 478 HD2 TYR 478 1.891 5.603 -9.352 349 HE1 TYR 478 HE1 TYR 478 -0.222 6.285 -4.958 350 HE2 TYR 478 HE2 TYR 478 0.087 7.257 -9.104 351 HH TYR 478 HH TYR 478 -1.083 8.250 -6.033 352 H ILE 479 H ILE 479 3.455 1.492 -9.722 353 HA ILE 479 HA ILE 479 5.747 0.240 -8.335 354 HB ILE 479 HB ILE 479 4.361 -0.766 -10.836 355 HG12 ILE 479 HG12 ILE 479 4.344 -1.871 -8.007 356 HG13 ILE 479 HG13 ILE 479 2.986 -1.090 -8.809 357 HG21 ILE 479 HG21 ILE 479 6.756 -1.259 -10.818 358 HG22 ILE 479 HG22 ILE 479 5.814 -2.731 -10.594 359 HG23 ILE 479 HG23 ILE 479 6.608 -1.975 -9.212 360 HD11 ILE 479 HD11 ILE 479 2.729 -3.495 -8.795 361 HD12 ILE 479 HD12 ILE 479 4.274 -3.688 -9.622 362 HD13 ILE 479 HD13 ILE 479 2.922 -2.909 -10.447 363 H ASN 480 H ASN 480 7.544 1.341 -8.780 364 HA ASN 480 HA ASN 480 9.075 2.687 -9.784 365 HB2 ASN 480 HB2 ASN 480 8.131 1.115 -12.191 366 HB3 ASN 480 HB3 ASN 480 9.492 2.232 -12.246 367 HD21 ASN 480 HD21 ASN 480 9.538 -0.589 -12.744 368 HD22 ASN 480 HD22 ASN 480 10.619 -1.274 -11.588 369 H GLY 481 H GLY 481 6.464 3.827 -9.426 370 HA2 GLY 481 HA2 GLY 481 5.915 6.109 -9.847 371 HA3 GLY 481 HA3 GLY 481 6.627 5.970 -11.443 372 H THR 482 H THR 482 5.150 3.382 -11.901 373 HA THR 482 HA THR 482 2.819 4.637 -13.086 374 HB THR 482 HB THR 482 3.730 1.748 -13.187 375 HG1 THR 482 HG1 THR 482 4.724 2.301 -15.076 376 HG21 THR 482 HG21 THR 482 2.246 1.547 -15.128 377 HG22 THR 482 HG22 THR 482 1.702 3.207 -14.898 378 HG23 THR 482 HG23 THR 482 1.332 1.983 -13.683 379 H LEU 483 H LEU 483 0.812 4.667 -12.234 380 HA LEU 483 HA LEU 483 0.180 3.459 -9.753 381 HB2 LEU 483 HB2 LEU 483 -0.929 5.491 -10.511 382 HB3 LEU 483 HB3 LEU 483 -1.629 4.635 -11.869 383 HG LEU 483 HG LEU 483 -2.985 3.279 -10.329 384 HD11 LEU 483 HD11 LEU 483 -1.754 4.977 -8.158 385 HD12 LEU 483 HD12 LEU 483 -1.518 3.244 -8.393 386 HD13 LEU 483 HD13 LEU 483 -3.106 3.867 -7.946 387 HD21 LEU 483 HD21 LEU 483 -3.234 6.254 -9.882 388 HD22 LEU 483 HD22 LEU 483 -4.495 5.063 -9.567 389 HD23 LEU 483 HD23 LEU 483 -3.933 5.336 -11.216 390 H TYR 484 H TYR 484 -0.144 1.368 -9.403 391 HA TYR 484 HA TYR 484 -0.825 -0.413 -11.591 392 HB2 TYR 484 HB2 TYR 484 0.992 -1.078 -10.153 393 HB3 TYR 484 HB3 TYR 484 -0.021 -0.925 -8.720 394 HD1 TYR 484 HD1 TYR 484 0.422 -2.883 -11.851 395 HD2 TYR 484 HD2 TYR 484 -1.320 -2.748 -7.965 396 HE1 TYR 484 HE1 TYR 484 -0.221 -5.247 -12.063 397 HE2 TYR 484 HE2 TYR 484 -1.967 -5.112 -8.172 398 HH TYR 484 HH TYR 484 -2.410 -6.751 -9.969 399 H LYS 485 H LYS 485 -2.242 0.547 -8.458 400 HA LYS 485 HA LYS 485 -4.892 -0.133 -9.297 401 HB2 LYS 485 HB2 LYS 485 -3.929 -2.398 -8.882 402 HB3 LYS 485 HB3 LYS 485 -3.632 -1.940 -7.211 403 HG2 LYS 485 HG2 LYS 485 -6.000 -1.730 -6.798 404 HG3 LYS 485 HG3 LYS 485 -6.356 -2.017 -8.503 405 HD2 LYS 485 HD2 LYS 485 -5.339 -4.272 -8.290 406 HD3 LYS 485 HD3 LYS 485 -5.114 -3.976 -6.564 407 HE2 LYS 485 HE2 LYS 485 -7.127 -5.297 -6.957 408 HE3 LYS 485 HE3 LYS 485 -7.541 -3.717 -6.296 409 HZ1 LYS 485 HZ1 LYS 485 -9.020 -4.298 -8.093 410 HZ2 LYS 485 HZ2 LYS 485 -7.718 -4.510 -9.156 411 HZ3 LYS 485 HZ3 LYS 485 -8.077 -2.974 -8.549 412 H ASN 486 H ASN 486 -6.527 0.282 -7.597 413 HA ASN 486 HA ASN 486 -5.528 1.615 -5.181 414 HB2 ASN 486 HB2 ASN 486 -6.975 3.557 -5.489 415 HB3 ASN 486 HB3 ASN 486 -5.864 3.409 -6.846 416 HD21 ASN 486 HD21 ASN 486 -6.678 2.908 -8.876 417 HD22 ASN 486 HD22 ASN 486 -8.365 2.966 -9.233 418 H TRP 487 H TRP 487 -7.048 1.755 -3.457 419 HA TRP 487 HA TRP 487 -9.552 0.221 -3.765 420 HB2 TRP 487 HB2 TRP 487 -7.527 -0.025 -1.525 421 HB3 TRP 487 HB3 TRP 487 -9.158 -0.677 -1.442 422 HD1 TRP 487 HD1 TRP 487 -9.719 -2.732 -3.194 423 HE1 TRP 487 HE1 TRP 487 -8.159 -4.559 -4.110 424 HE3 TRP 487 HE3 TRP 487 -5.217 -0.496 -2.269 425 HZ2 TRP 487 HZ2 TRP 487 -5.388 -4.994 -4.407 426 HZ3 TRP 487 HZ3 TRP 487 -3.157 -1.686 -2.899 427 HH2 TRP 487 HH2 TRP 487 -3.241 -3.889 -3.948 428 H THR 488 H THR 488 -11.286 0.893 -2.477 429 HA THR 488 HA THR 488 -10.874 3.350 -0.872 430 HB THR 488 HB THR 488 -13.421 2.419 -2.240 431 HG1 THR 488 HG1 THR 488 -11.721 3.284 -3.637 432 HG21 THR 488 HG21 THR 488 -12.820 4.963 -0.715 433 HG22 THR 488 HG22 THR 488 -13.902 3.668 -0.201 434 HG23 THR 488 HG23 THR 488 -14.299 4.639 -1.619 435 H VAL 489 H VAL 489 -11.076 3.051 1.278 436 HA VAL 489 HA VAL 489 -12.921 1.010 2.304 437 HB VAL 489 HB VAL 489 -11.231 0.097 3.856 438 HG11 VAL 489 HG11 VAL 489 -9.972 -1.257 2.236 439 HG12 VAL 489 HG12 VAL 489 -10.457 -0.156 0.946 440 HG13 VAL 489 HG13 VAL 489 -11.673 -1.111 1.794 441 HG21 VAL 489 HG21 VAL 489 -9.709 2.007 3.943 442 HG22 VAL 489 HG22 VAL 489 -9.237 1.725 2.266 443 HG23 VAL 489 HG23 VAL 489 -8.844 0.534 3.508 444 H SER 490 H SER 490 -12.950 1.062 4.777 445 HA SER 490 HA SER 490 -12.401 3.757 5.855 446 HB2 SER 490 HB2 SER 490 -14.456 3.620 7.204 447 HB3 SER 490 HB3 SER 490 -14.831 3.524 5.487 448 HG SER 490 HG SER 490 -14.455 1.157 6.973 449 H LEU 491 H LEU 491 -11.352 3.790 7.792 450 HA LEU 491 HA LEU 491 -10.874 1.177 9.103 451 HB2 LEU 491 HB2 LEU 491 -9.033 3.560 8.852 452 HB3 LEU 491 HB3 LEU 491 -8.689 2.145 9.831 453 HG LEU 491 HG LEU 491 -9.026 2.143 6.821 454 HD11 LEU 491 HD11 LEU 491 -6.619 1.711 6.766 455 HD12 LEU 491 HD12 LEU 491 -6.542 1.899 8.520 456 HD13 LEU 491 HD13 LEU 491 -6.978 3.271 7.503 457 HD21 LEU 491 HD21 LEU 491 -8.190 -0.161 6.967 458 HD22 LEU 491 HD22 LEU 491 -9.723 0.037 7.815 459 HD23 LEU 491 HD23 LEU 491 -8.216 -0.054 8.728 460 H GLY 492 H GLY 492 -11.693 1.007 11.079 461 HA2 GLY 492 HA2 GLY 492 -12.608 3.353 12.522 462 HA3 GLY 492 HA3 GLY 492 -12.847 1.677 12.990 463 HA PRO 493 HA PRO 493 -9.702 3.885 15.797 464 HB2 PRO 493 HB2 PRO 493 -10.816 2.660 18.055 465 HB3 PRO 493 HB3 PRO 493 -11.123 4.313 17.516 466 HG2 PRO 493 HG2 PRO 493 -12.747 1.843 17.071 467 HG3 PRO 493 HG3 PRO 493 -13.289 3.500 17.402 468 HD2 PRO 493 HD2 PRO 493 -13.408 2.473 14.934 469 HD3 PRO 493 HD3 PRO 493 -12.964 4.175 15.195 470 H LYS 494 H LYS 494 -7.891 2.748 15.313 471 HA LYS 494 HA LYS 494 -6.216 1.233 15.548 472 HB2 LYS 494 HB2 LYS 494 -8.005 0.061 17.691 473 HB3 LYS 494 HB3 LYS 494 -6.334 -0.409 17.417 474 HG2 LYS 494 HG2 LYS 494 -7.219 2.386 18.149 475 HG3 LYS 494 HG3 LYS 494 -6.663 1.177 19.311 476 HD2 LYS 494 HD2 LYS 494 -4.504 1.061 18.031 477 HD3 LYS 494 HD3 LYS 494 -5.073 2.417 17.056 478 HE2 LYS 494 HE2 LYS 494 -5.247 3.792 19.091 479 HE3 LYS 494 HE3 LYS 494 -4.660 2.435 20.053 480 HZ1 LYS 494 HZ1 LYS 494 -2.837 3.879 19.626 481 HZ2 LYS 494 HZ2 LYS 494 -3.169 3.932 17.970 482 HZ3 LYS 494 HZ3 LYS 494 -2.608 2.502 18.674 483 H GLU 495 H GLU 495 -8.230 0.797 13.535 484 HA GLU 495 HA GLU 495 -8.539 -2.138 13.461 485 HB2 GLU 495 HB2 GLU 495 -10.582 -0.815 13.156 486 HB3 GLU 495 HB3 GLU 495 -9.850 0.029 11.800 487 HG2 GLU 495 HG2 GLU 495 -11.366 -1.613 10.956 488 HG3 GLU 495 HG3 GLU 495 -9.723 -2.118 10.576 489 H GLU 496 H GLU 496 -7.922 -3.370 11.636 490 HA GLU 496 HA GLU 496 -6.415 -1.986 9.518 491 HB2 GLU 496 HB2 GLU 496 -4.688 -2.956 10.891 492 HB3 GLU 496 HB3 GLU 496 -5.527 -4.504 10.949 493 HG2 GLU 496 HG2 GLU 496 -5.129 -4.882 8.608 494 HG3 GLU 496 HG3 GLU 496 -4.462 -3.264 8.412 495 H LYS 497 H LYS 497 -6.750 -2.716 7.472 496 HA LYS 497 HA LYS 497 -8.437 -5.124 7.111 497 HB2 LYS 497 HB2 LYS 497 -8.208 -2.767 5.215 498 HB3 LYS 497 HB3 LYS 497 -9.308 -4.131 5.068 499 HG2 LYS 497 HG2 LYS 497 -9.373 -2.074 7.273 500 HG3 LYS 497 HG3 LYS 497 -10.417 -2.078 5.855 501 HD2 LYS 497 HD2 LYS 497 -10.300 -4.304 7.897 502 HD3 LYS 497 HD3 LYS 497 -11.481 -2.994 7.917 503 HE2 LYS 497 HE2 LYS 497 -12.245 -3.702 5.667 504 HE3 LYS 497 HE3 LYS 497 -11.121 -5.060 5.740 505 HZ1 LYS 497 HZ1 LYS 497 -13.398 -5.659 6.373 506 HZ2 LYS 497 HZ2 LYS 497 -13.326 -4.583 7.675 507 HZ3 LYS 497 HZ3 LYS 497 -12.301 -5.929 7.627 508 H VAL 498 H VAL 498 -7.594 -6.755 5.876 509 HA VAL 498 HA VAL 498 -4.909 -6.320 4.758 510 HB VAL 498 HB VAL 498 -6.322 -8.941 5.325 511 HG11 VAL 498 HG11 VAL 498 -4.119 -9.966 4.996 512 HG12 VAL 498 HG12 VAL 498 -3.439 -8.391 4.590 513 HG13 VAL 498 HG13 VAL 498 -4.650 -9.124 3.539 514 HG21 VAL 498 HG21 VAL 498 -4.178 -7.500 6.899 515 HG22 VAL 498 HG22 VAL 498 -4.784 -9.121 7.243 516 HG23 VAL 498 HG23 VAL 498 -5.857 -7.729 7.389 517 H LEU 499 H LEU 499 -4.824 -5.880 2.675 518 HA LEU 499 HA LEU 499 -6.842 -6.981 0.829 519 HB2 LEU 499 HB2 LEU 499 -4.908 -4.690 0.408 520 HB3 LEU 499 HB3 LEU 499 -6.212 -5.160 -0.668 521 HG LEU 499 HG LEU 499 -6.630 -4.133 2.147 522 HD11 LEU 499 HD11 LEU 499 -6.875 -2.664 -0.476 523 HD12 LEU 499 HD12 LEU 499 -5.650 -2.389 0.763 524 HD13 LEU 499 HD13 LEU 499 -7.343 -2.039 1.105 525 HD21 LEU 499 HD21 LEU 499 -8.454 -5.537 1.380 526 HD22 LEU 499 HD22 LEU 499 -8.563 -4.619 -0.124 527 HD23 LEU 499 HD23 LEU 499 -8.964 -3.851 1.413 528 H THR 500 H THR 500 -6.211 -8.077 -1.060 529 HA THR 500 HA THR 500 -3.325 -8.668 -1.341 530 HB THR 500 HB THR 500 -3.997 -10.904 -2.296 531 HG1 THR 500 HG1 THR 500 -6.040 -11.438 -2.384 532 HG21 THR 500 HG21 THR 500 -3.095 -10.718 -0.030 533 HG22 THR 500 HG22 THR 500 -4.313 -11.989 -0.133 534 HG23 THR 500 HG23 THR 500 -4.719 -10.437 0.602 535 H PHE 501 H PHE 501 -2.540 -9.056 -3.444 536 HA PHE 501 HA PHE 501 -4.328 -8.894 -5.714 537 HB2 PHE 501 HB2 PHE 501 -3.221 -7.013 -6.799 538 HB3 PHE 501 HB3 PHE 501 -3.874 -6.505 -5.247 539 HD1 PHE 501 HD1 PHE 501 -2.346 -6.072 -3.343 540 HD2 PHE 501 HD2 PHE 501 -0.874 -6.955 -7.243 541 HE1 PHE 501 HE1 PHE 501 -0.143 -5.176 -2.717 542 HE2 PHE 501 HE2 PHE 501 1.329 -6.062 -6.617 543 HZ PHE 501 HZ PHE 501 1.698 -5.170 -4.354 544 H SER 502 H SER 502 -3.377 -9.646 -7.654 545 HA SER 502 HA SER 502 -0.815 -11.063 -7.266 546 HB2 SER 502 HB2 SER 502 -1.598 -12.607 -9.035 547 HB3 SER 502 HB3 SER 502 -2.715 -12.558 -7.674 548 HG SER 502 HG SER 502 -3.034 -11.033 -10.059 549 H TRP 503 H TRP 503 0.849 -10.153 -8.245 550 HA TRP 503 HA TRP 503 0.410 -8.410 -10.576 551 HB2 TRP 503 HB2 TRP 503 1.247 -7.181 -8.700 552 HB3 TRP 503 HB3 TRP 503 2.497 -8.377 -8.391 553 HD1 TRP 503 HD1 TRP 503 1.594 -6.097 -11.430 554 HE1 TRP 503 HE1 TRP 503 3.790 -5.099 -12.325 555 HE3 TRP 503 HE3 TRP 503 4.872 -8.306 -8.186 556 HZ2 TRP 503 HZ2 TRP 503 6.543 -5.227 -11.730 557 HZ3 TRP 503 HZ3 TRP 503 7.267 -7.813 -8.418 558 HH2 TRP 503 HH2 TRP 503 8.089 -6.304 -10.155 559 H THR 504 H THR 504 1.517 -8.704 -12.442 560 HA THR 504 HA THR 504 3.556 -10.851 -12.558 561 HB THR 504 HB THR 504 1.457 -10.192 -14.646 562 HG1 THR 504 HG1 THR 504 1.884 -12.435 -12.938 563 HG21 THR 504 HG21 THR 504 3.571 -10.790 -15.728 564 HG22 THR 504 HG22 THR 504 2.386 -12.083 -15.918 565 HG23 THR 504 HG23 THR 504 3.682 -12.243 -14.734 566 HA PRO 505 HA PRO 505 5.840 -7.316 -14.327 567 HB2 PRO 505 HB2 PRO 505 8.307 -8.232 -13.779 568 HB3 PRO 505 HB3 PRO 505 7.269 -7.555 -12.516 569 HG2 PRO 505 HG2 PRO 505 7.808 -10.431 -13.185 570 HG3 PRO 505 HG3 PRO 505 7.730 -9.649 -11.595 571 HD2 PRO 505 HD2 PRO 505 5.655 -11.074 -12.695 572 HD3 PRO 505 HD3 PRO 505 5.439 -9.771 -11.510 573 H THR 506 H THR 506 5.962 -7.248 -16.533 574 HA THR 506 HA THR 506 6.685 -9.649 -18.037 575 HB THR 506 HB THR 506 6.098 -8.318 -20.057 576 HG1 THR 506 HG1 THR 506 5.073 -6.258 -19.660 577 HG21 THR 506 HG21 THR 506 4.388 -9.659 -18.909 578 HG22 THR 506 HG22 THR 506 3.693 -8.199 -19.614 579 HG23 THR 506 HG23 THR 506 3.997 -8.280 -17.880 580 H GLN 507 H GLN 507 8.578 -7.657 -16.520 581 HA GLN 507 HA GLN 507 10.728 -7.917 -18.493 582 HB2 GLN 507 HB2 GLN 507 10.078 -5.623 -18.780 583 HB3 GLN 507 HB3 GLN 507 9.977 -5.371 -17.045 584 HG2 GLN 507 HG2 GLN 507 12.475 -5.821 -16.973 585 HG3 GLN 507 HG3 GLN 507 12.446 -5.700 -18.732 586 HE21 GLN 507 HE21 GLN 507 12.066 -3.686 -19.680 587 HE22 GLN 507 HE22 GLN 507 12.156 -2.216 -18.781 588 H GLU 508 H GLU 508 12.708 -8.450 -17.577 589 HA GLU 508 HA GLU 508 12.727 -8.953 -14.708 590 HB2 GLU 508 HB2 GLU 508 14.967 -10.015 -15.181 591 HB3 GLU 508 HB3 GLU 508 13.589 -10.759 -15.967 592 HG2 GLU 508 HG2 GLU 508 15.152 -10.772 -17.647 593 HG3 GLU 508 HG3 GLU 508 14.266 -9.294 -18.003 594 H GLY 509 H GLY 509 13.962 -7.896 -13.208 595 HA2 GLY 509 HA2 GLY 509 16.070 -6.290 -13.240 596 HA3 GLY 509 HA3 GLY 509 14.904 -5.255 -14.048 597 H MET 510 H MET 510 15.458 -3.853 -12.164 598 HA MET 510 HA MET 510 14.425 -4.645 -9.574 599 HB2 MET 510 HB2 MET 510 15.647 -2.063 -10.562 600 HB3 MET 510 HB3 MET 510 15.127 -2.329 -8.902 601 HG2 MET 510 HG2 MET 510 17.256 -3.882 -10.361 602 HG3 MET 510 HG3 MET 510 17.522 -2.642 -9.135 603 HE1 MET 510 HE1 MET 510 16.799 -2.917 -6.566 604 HE2 MET 510 HE2 MET 510 15.993 -4.352 -5.936 605 HE3 MET 510 HE3 MET 510 15.152 -3.293 -7.069 606 H TYR 511 H TYR 511 12.369 -4.463 -9.003 607 HA TYR 511 HA TYR 511 10.763 -2.227 -10.080 608 HB2 TYR 511 HB2 TYR 511 9.996 -5.062 -9.427 609 HB3 TYR 511 HB3 TYR 511 8.785 -3.786 -9.431 610 HD1 TYR 511 HD1 TYR 511 11.215 -5.614 -11.551 611 HD2 TYR 511 HD2 TYR 511 7.933 -2.907 -11.463 612 HE1 TYR 511 HE1 TYR 511 10.951 -5.859 -13.984 613 HE2 TYR 511 HE2 TYR 511 7.660 -3.144 -13.890 614 HH TYR 511 HH TYR 511 9.030 -3.781 -15.836 615 H ARG 512 H ARG 512 10.530 -0.688 -8.590 616 HA ARG 512 HA ARG 512 10.398 -1.407 -5.753 617 HB2 ARG 512 HB2 ARG 512 11.946 0.385 -6.436 618 HB3 ARG 512 HB3 ARG 512 10.597 1.307 -7.086 619 HG2 ARG 512 HG2 ARG 512 9.664 1.599 -4.886 620 HG3 ARG 512 HG3 ARG 512 10.876 0.522 -4.187 621 HD2 ARG 512 HD2 ARG 512 11.417 3.185 -5.514 622 HD3 ARG 512 HD3 ARG 512 11.423 2.872 -3.779 623 HE ARG 512 HE ARG 512 13.325 1.600 -5.641 624 HH11 ARG 512 HH11 ARG 512 12.646 3.221 -2.682 625 HH12 ARG 512 HH12 ARG 512 14.264 3.067 -2.104 626 HH21 ARG 512 HH21 ARG 512 15.390 1.434 -4.899 627 HH22 ARG 512 HH22 ARG 512 15.801 2.067 -3.341 628 H ILE 513 H ILE 513 8.428 -1.866 -4.996 629 HA ILE 513 HA ILE 513 6.059 -0.614 -6.187 630 HB ILE 513 HB ILE 513 6.254 -2.896 -4.206 631 HG12 ILE 513 HG12 ILE 513 5.710 -2.912 -7.193 632 HG13 ILE 513 HG13 ILE 513 7.175 -3.495 -6.410 633 HG21 ILE 513 HG21 ILE 513 4.147 -1.686 -3.992 634 HG22 ILE 513 HG22 ILE 513 3.882 -3.277 -4.699 635 HG23 ILE 513 HG23 ILE 513 3.863 -1.842 -5.726 636 HD11 ILE 513 HD11 ILE 513 5.726 -5.329 -7.058 637 HD12 ILE 513 HD12 ILE 513 4.416 -4.659 -6.087 638 HD13 ILE 513 HD13 ILE 513 5.883 -5.248 -5.305 639 H ASN 514 H ASN 514 5.377 1.216 -5.279 640 HA ASN 514 HA ASN 514 5.666 1.605 -2.374 641 HB2 ASN 514 HB2 ASN 514 5.288 3.622 -4.602 642 HB3 ASN 514 HB3 ASN 514 5.304 4.030 -2.888 643 HD21 ASN 514 HD21 ASN 514 7.235 3.775 -1.725 644 HD22 ASN 514 HD22 ASN 514 8.761 3.755 -2.523 645 H ALA 515 H ALA 515 3.911 2.375 -1.139 646 HA ALA 515 HA ALA 515 1.297 2.561 -2.487 647 HB1 ALA 515 HB1 ALA 515 1.389 0.347 -1.448 648 HB2 ALA 515 HB2 ALA 515 0.192 1.378 -0.659 649 HB3 ALA 515 HB3 ALA 515 1.755 1.087 0.111 650 H THR 516 H THR 516 0.024 4.198 -1.822 651 HA THR 516 HA THR 516 0.813 5.737 0.576 652 HB THR 516 HB THR 516 0.171 7.824 -0.632 653 HG1 THR 516 HG1 THR 516 0.105 7.624 -2.985 654 HG21 THR 516 HG21 THR 516 2.196 7.994 -2.023 655 HG22 THR 516 HG22 THR 516 2.398 6.243 -1.942 656 HG23 THR 516 HG23 THR 516 2.536 7.217 -0.478 657 H VAL 517 H VAL 517 -0.907 6.859 1.647 658 HA VAL 517 HA VAL 517 -3.623 6.089 0.792 659 HB VAL 517 HB VAL 517 -3.000 4.623 2.624 660 HG11 VAL 517 HG11 VAL 517 -2.527 5.490 4.871 661 HG12 VAL 517 HG12 VAL 517 -2.530 7.135 4.230 662 HG13 VAL 517 HG13 VAL 517 -1.305 5.983 3.700 663 HG21 VAL 517 HG21 VAL 517 -4.863 5.068 4.146 664 HG22 VAL 517 HG22 VAL 517 -5.334 5.337 2.469 665 HG23 VAL 517 HG23 VAL 517 -4.994 6.712 3.521 666 H ASP 518 H ASP 518 -5.223 7.549 1.062 667 HA ASP 518 HA ASP 518 -6.179 9.603 1.016 668 HB2 ASP 518 HB2 ASP 518 -5.830 8.915 3.569 669 HB3 ASP 518 HB3 ASP 518 -4.833 10.365 3.571 670 H GLU 519 H GLU 519 -3.846 9.621 -0.518 671 HA GLU 519 HA GLU 519 -2.107 11.745 -0.203 672 HB2 GLU 519 HB2 GLU 519 -3.443 10.844 -2.769 673 HB3 GLU 519 HB3 GLU 519 -2.060 11.925 -2.687 674 HG2 GLU 519 HG2 GLU 519 -0.809 10.085 -1.529 675 HG3 GLU 519 HG3 GLU 519 -2.170 9.024 -1.896 676 H GLU 520 H GLU 520 -5.492 11.806 -0.935 677 HA GLU 520 HA GLU 520 -5.693 14.397 -2.061 678 HB2 GLU 520 HB2 GLU 520 -7.964 13.181 -0.518 679 HB3 GLU 520 HB3 GLU 520 -8.002 14.072 -2.032 680 HG2 GLU 520 HG2 GLU 520 -7.023 11.240 -1.669 681 HG3 GLU 520 HG3 GLU 520 -8.582 11.717 -2.330 682 H ASN 521 H ASN 521 -5.199 13.338 1.152 683 HA ASN 521 HA ASN 521 -5.106 14.343 3.179 684 HB2 ASN 521 HB2 ASN 521 -5.014 16.906 1.567 685 HB3 ASN 521 HB3 ASN 521 -4.617 16.762 3.278 686 HD21 ASN 521 HD21 ASN 521 -2.808 15.372 3.831 687 HD22 ASN 521 HD22 ASN 521 -1.496 15.223 2.722 688 H THR 522 H THR 522 -7.590 13.575 2.459 689 HA THR 522 HA THR 522 -9.604 15.577 2.609 690 HB THR 522 HB THR 522 -11.176 13.754 2.977 691 HG1 THR 522 HG1 THR 522 -8.991 11.932 3.135 692 HG21 THR 522 HG21 THR 522 -8.998 12.969 1.024 693 HG22 THR 522 HG22 THR 522 -10.365 14.030 0.688 694 HG23 THR 522 HG23 THR 522 -10.639 12.323 1.032 695 H VAL 523 H VAL 523 -8.038 13.546 5.037 696 HA VAL 523 HA VAL 523 -9.525 14.959 7.167 697 HB VAL 523 HB VAL 523 -9.980 12.522 7.010 698 HG11 VAL 523 HG11 VAL 523 -7.822 11.747 6.209 699 HG12 VAL 523 HG12 VAL 523 -8.266 10.910 7.697 700 HG13 VAL 523 HG13 VAL 523 -7.067 12.204 7.737 701 HG21 VAL 523 HG21 VAL 523 -9.701 12.037 9.388 702 HG22 VAL 523 HG22 VAL 523 -10.244 13.695 9.132 703 HG23 VAL 523 HG23 VAL 523 -8.557 13.371 9.535 704 H VAL 524 H VAL 524 -8.397 15.816 8.935 705 HA VAL 524 HA VAL 524 -5.550 16.275 8.555 706 HB VAL 524 HB VAL 524 -7.338 17.178 10.828 707 HG11 VAL 524 HG11 VAL 524 -4.968 17.210 11.425 708 HG12 VAL 524 HG12 VAL 524 -5.596 18.850 11.262 709 HG13 VAL 524 HG13 VAL 524 -4.605 18.153 9.979 710 HG21 VAL 524 HG21 VAL 524 -6.557 18.606 8.283 711 HG22 VAL 524 HG22 VAL 524 -7.388 19.358 9.649 712 HG23 VAL 524 HG23 VAL 524 -8.172 18.066 8.739 713 H GLU 525 H GLU 525 -4.029 14.932 9.324 714 HA GLU 525 HA GLU 525 -4.753 12.996 11.421 715 HB2 GLU 525 HB2 GLU 525 -2.494 12.952 9.413 716 HB3 GLU 525 HB3 GLU 525 -2.862 11.674 10.564 717 HG2 GLU 525 HG2 GLU 525 -4.958 11.219 9.475 718 HG3 GLU 525 HG3 GLU 525 -4.746 12.605 8.401 719 H LEU 526 H LEU 526 -2.701 12.157 12.625 720 HA LEU 526 HA LEU 526 -1.517 14.393 14.053 721 HB2 LEU 526 HB2 LEU 526 -1.391 11.401 14.422 722 HB3 LEU 526 HB3 LEU 526 -0.470 12.512 15.420 723 HG LEU 526 HG LEU 526 -3.489 12.507 15.210 724 HD11 LEU 526 HD11 LEU 526 -1.729 11.422 17.415 725 HD12 LEU 526 HD12 LEU 526 -2.639 10.449 16.259 726 HD13 LEU 526 HD13 LEU 526 -3.493 11.475 17.408 727 HD21 LEU 526 HD21 LEU 526 -1.608 13.965 17.075 728 HD22 LEU 526 HD22 LEU 526 -3.368 13.956 17.196 729 HD23 LEU 526 HD23 LEU 526 -2.585 14.687 15.796 730 H ASN 527 H ASN 527 -0.410 11.852 11.844 731 HA ASN 527 HA ASN 527 2.360 12.853 12.135 732 HB2 ASN 527 HB2 ASN 527 1.988 10.557 12.989 733 HB3 ASN 527 HB3 ASN 527 1.447 10.063 11.390 734 HD21 ASN 527 HD21 ASN 527 3.090 8.503 11.359 735 HD22 ASN 527 HD22 ASN 527 4.741 8.928 11.066 736 H GLU 528 H GLU 528 3.768 12.562 10.215 737 HA GLU 528 HA GLU 528 2.306 12.821 7.652 738 HB2 GLU 528 HB2 GLU 528 3.162 14.986 8.455 739 HB3 GLU 528 HB3 GLU 528 4.781 14.315 8.558 740 HG2 GLU 528 HG2 GLU 528 4.599 15.674 6.587 741 HG3 GLU 528 HG3 GLU 528 4.777 13.985 6.113 742 H ASN 529 H ASN 529 4.500 10.953 9.343 743 HA ASN 529 HA ASN 529 6.131 10.278 6.972 744 HB2 ASN 529 HB2 ASN 529 6.681 9.720 9.898 745 HB3 ASN 529 HB3 ASN 529 7.775 9.401 8.557 746 HD21 ASN 529 HD21 ASN 529 7.237 11.845 7.140 747 HD22 ASN 529 HD22 ASN 529 7.964 13.116 8.058 748 H ASN 530 H ASN 530 3.373 9.161 7.849 749 HA ASN 530 HA ASN 530 4.145 6.322 8.131 750 HB2 ASN 530 HB2 ASN 530 1.857 6.065 9.212 751 HB3 ASN 530 HB3 ASN 530 3.068 6.962 10.121 752 HD21 ASN 530 HD21 ASN 530 0.224 7.090 10.428 753 HD22 ASN 530 HD22 ASN 530 -0.245 8.711 10.095 754 H ASN 531 H ASN 531 2.516 8.472 6.002 755 HA ASN 531 HA ASN 531 0.654 6.444 5.040 756 HB2 ASN 531 HB2 ASN 531 1.008 9.357 4.344 757 HB3 ASN 531 HB3 ASN 531 -0.123 8.303 3.496 758 HD21 ASN 531 HD21 ASN 531 -0.892 10.581 4.955 759 HD22 ASN 531 HD22 ASN 531 -1.853 10.052 6.288 760 H VAL 532 H VAL 532 3.728 6.452 4.476 761 HA VAL 532 HA VAL 532 3.375 5.749 1.631 762 HB VAL 532 HB VAL 532 5.813 7.150 2.765 763 HG11 VAL 532 HG11 VAL 532 5.223 6.238 -0.059 764 HG12 VAL 532 HG12 VAL 532 6.426 5.544 1.029 765 HG13 VAL 532 HG13 VAL 532 6.618 7.196 0.439 766 HG21 VAL 532 HG21 VAL 532 5.178 9.020 1.307 767 HG22 VAL 532 HG22 VAL 532 3.919 8.675 2.496 768 HG23 VAL 532 HG23 VAL 532 3.719 8.151 0.825 769 H ALA 533 H ALA 533 4.153 3.795 1.050 770 HA ALA 533 HA ALA 533 6.034 2.404 2.863 771 HB1 ALA 533 HB1 ALA 533 3.685 1.150 1.432 772 HB2 ALA 533 HB2 ALA 533 3.776 1.492 3.161 773 HB3 ALA 533 HB3 ALA 533 4.858 0.301 2.437 774 H THR 534 H THR 534 7.654 1.195 1.894 775 HA THR 534 HA THR 534 7.741 1.165 -1.067 776 HB THR 534 HB THR 534 10.062 1.818 0.775 777 HG1 THR 534 HG1 THR 534 9.498 3.813 0.402 778 HG21 THR 534 HG21 THR 534 11.346 2.169 -1.300 779 HG22 THR 534 HG22 THR 534 9.978 1.575 -2.239 780 HG23 THR 534 HG23 THR 534 10.823 0.493 -1.130 781 H PHE 535 H PHE 535 7.920 -0.857 -1.824 782 HA PHE 535 HA PHE 535 9.476 -2.828 -0.258 783 HB2 PHE 535 HB2 PHE 535 7.002 -3.287 -0.328 784 HB3 PHE 535 HB3 PHE 535 7.131 -3.459 -2.075 785 HD1 PHE 535 HD1 PHE 535 8.209 -4.893 1.159 786 HD2 PHE 535 HD2 PHE 535 7.909 -5.482 -3.049 787 HE1 PHE 535 HE1 PHE 535 8.797 -7.262 1.452 788 HE2 PHE 535 HE2 PHE 535 8.502 -7.851 -2.760 789 HZ PHE 535 HZ PHE 535 8.949 -8.746 -0.509 790 H ASP 536 H ASP 536 11.198 -3.667 -1.269 791 HA ASP 536 HA ASP 536 11.684 -2.949 -4.061 792 HB2 ASP 536 HB2 ASP 536 13.554 -4.166 -2.010 793 HB3 ASP 536 HB3 ASP 536 14.014 -3.523 -3.586 794 H VAL 537 H VAL 537 11.276 -4.373 -5.649 795 HA VAL 537 HA VAL 537 11.383 -7.266 -5.045 796 HB VAL 537 HB VAL 537 9.850 -5.905 -7.274 797 HG11 VAL 537 HG11 VAL 537 8.773 -8.114 -7.542 798 HG12 VAL 537 HG12 VAL 537 9.886 -8.783 -6.350 799 HG13 VAL 537 HG13 VAL 537 10.503 -8.159 -7.879 800 HG21 VAL 537 HG21 VAL 537 8.847 -7.059 -4.665 801 HG22 VAL 537 HG22 VAL 537 7.831 -6.470 -5.983 802 HG23 VAL 537 HG23 VAL 537 8.877 -5.353 -5.109 803 H SER 538 H SER 538 12.710 -8.561 -6.163 804 HA SER 538 HA SER 538 14.296 -7.432 -8.384 805 HB2 SER 538 HB2 SER 538 15.589 -8.185 -6.393 806 HB3 SER 538 HB3 SER 538 14.945 -9.810 -6.613 807 HG SER 538 HG SER 538 16.975 -8.537 -7.928 808 H VAL 539 H VAL 539 13.613 -8.082 -10.346 809 HA VAL 539 HA VAL 539 12.217 -10.660 -10.581 810 HB VAL 539 HB VAL 539 12.295 -8.393 -12.584 811 HG11 VAL 539 HG11 VAL 539 10.536 -10.849 -12.431 812 HG12 VAL 539 HG12 VAL 539 11.832 -10.573 -13.594 813 HG13 VAL 539 HG13 VAL 539 10.395 -9.552 -13.619 814 HG21 VAL 539 HG21 VAL 539 11.203 -7.688 -10.514 815 HG22 VAL 539 HG22 VAL 539 10.157 -9.106 -10.569 816 HG23 VAL 539 HG23 VAL 539 10.024 -7.865 -11.815 817 H VAL 540 H VAL 540 13.159 -12.331 -11.516 818 HA VAL 540 HA VAL 540 15.497 -11.914 -13.278 819 HB VAL 540 HB VAL 540 16.247 -14.179 -12.625 820 HG11 VAL 540 HG11 VAL 540 16.968 -13.623 -10.338 821 HG12 VAL 540 HG12 VAL 540 15.792 -12.309 -10.290 822 HG13 VAL 540 HG13 VAL 540 17.135 -12.249 -11.432 823 HG21 VAL 540 HG21 VAL 540 15.195 -15.303 -10.693 824 HG22 VAL 540 HG22 VAL 540 14.097 -15.174 -12.068 825 HG23 VAL 540 HG23 VAL 540 13.919 -14.084 -10.694 826 H LEU 541 H LEU 541 15.831 -13.823 -14.849 827 HA LEU 541 HA LEU 541 13.516 -13.958 -16.517 828 HB2 LEU 541 HB2 LEU 541 16.266 -15.168 -16.709 829 HB3 LEU 541 HB3 LEU 541 15.028 -15.497 -17.908 830 HG LEU 541 HG LEU 541 16.052 -12.730 -17.233 831 HD11 LEU 541 HD11 LEU 541 17.229 -12.827 -19.367 832 HD12 LEU 541 HD12 LEU 541 16.715 -14.500 -19.586 833 HD13 LEU 541 HD13 LEU 541 17.805 -14.078 -18.266 834 HD21 LEU 541 HD21 LEU 541 13.760 -12.753 -18.083 835 HD22 LEU 541 HD22 LEU 541 14.272 -13.711 -19.472 836 HD23 LEU 541 HD23 LEU 541 14.865 -12.062 -19.269 837 H GLU 542 H GLU 542 14.037 -15.722 -13.814 838 HA GLU 542 HA GLU 542 12.369 -17.918 -14.734 839 HB2 GLU 542 HB2 GLU 542 14.000 -19.592 -13.655 840 HB3 GLU 542 HB3 GLU 542 14.405 -18.945 -15.241 841 HG2 GLU 542 HG2 GLU 542 15.862 -17.267 -14.096 842 HG3 GLU 542 HG3 GLU 542 15.563 -18.128 -12.588 Start of MODEL 6 1 H1 MET 435 H1 MET 435 -9.660 17.592 20.871 2 H2 MET 435 H2 MET 435 -10.626 16.367 21.515 3 H3 MET 435 H3 MET 435 -11.311 17.863 21.126 4 HA MET 435 HA MET 435 -11.866 16.175 19.490 5 HB2 MET 435 HB2 MET 435 -11.128 17.450 17.480 6 HB3 MET 435 HB3 MET 435 -11.808 18.465 18.742 7 HG2 MET 435 HG2 MET 435 -9.488 19.024 19.458 8 HG3 MET 435 HG3 MET 435 -8.894 18.123 18.063 9 HE1 MET 435 HE1 MET 435 -8.321 21.912 17.098 10 HE2 MET 435 HE2 MET 435 -7.543 20.342 17.295 11 HE3 MET 435 HE3 MET 435 -8.186 21.190 18.701 12 H GLU 436 H GLU 436 -11.285 14.414 18.307 13 HA GLU 436 HA GLU 436 -8.565 13.437 18.740 14 HB2 GLU 436 HB2 GLU 436 -11.016 12.023 17.654 15 HB3 GLU 436 HB3 GLU 436 -9.457 11.262 17.936 16 HG2 GLU 436 HG2 GLU 436 -10.860 10.692 19.757 17 HG3 GLU 436 HG3 GLU 436 -9.682 11.860 20.351 18 H PHE 437 H PHE 437 -7.144 12.809 17.141 19 HA PHE 437 HA PHE 437 -7.929 13.336 14.347 20 HB2 PHE 437 HB2 PHE 437 -5.279 13.954 15.676 21 HB3 PHE 437 HB3 PHE 437 -5.535 13.998 13.935 22 HD1 PHE 437 HD1 PHE 437 -7.131 15.657 12.969 23 HD2 PHE 437 HD2 PHE 437 -5.951 15.763 17.063 24 HE1 PHE 437 HE1 PHE 437 -7.913 17.982 13.131 25 HE2 PHE 437 HE2 PHE 437 -6.729 18.091 17.224 26 HZ PHE 437 HZ PHE 437 -7.713 19.202 15.261 27 HA PRO 438 HA PRO 438 -6.810 9.087 13.793 28 HB2 PRO 438 HB2 PRO 438 -6.882 8.983 11.082 29 HB3 PRO 438 HB3 PRO 438 -8.333 9.099 12.084 30 HG2 PRO 438 HG2 PRO 438 -6.900 11.242 10.575 31 HG3 PRO 438 HG3 PRO 438 -8.641 10.973 10.756 32 HD2 PRO 438 HD2 PRO 438 -7.233 12.830 12.194 33 HD3 PRO 438 HD3 PRO 438 -8.721 12.059 12.774 34 H ASP 439 H ASP 439 -5.326 7.715 12.372 35 HA ASP 439 HA ASP 439 -2.853 8.946 11.512 36 HB2 ASP 439 HB2 ASP 439 -2.729 8.635 14.060 37 HB3 ASP 439 HB3 ASP 439 -2.718 6.905 13.748 38 H LEU 440 H LEU 440 -3.428 7.993 9.501 39 HA LEU 440 HA LEU 440 -3.887 5.112 9.369 40 HB2 LEU 440 HB2 LEU 440 -3.901 7.213 7.194 41 HB3 LEU 440 HB3 LEU 440 -4.345 5.532 6.973 42 HG LEU 440 HG LEU 440 -5.804 7.479 8.768 43 HD11 LEU 440 HD11 LEU 440 -6.081 8.086 6.431 44 HD12 LEU 440 HD12 LEU 440 -7.577 7.406 7.070 45 HD13 LEU 440 HD13 LEU 440 -6.536 6.429 6.031 46 HD21 LEU 440 HD21 LEU 440 -7.508 5.741 8.927 47 HD22 LEU 440 HD22 LEU 440 -5.961 5.151 9.531 48 HD23 LEU 440 HD23 LEU 440 -6.526 4.667 7.933 49 H THR 441 H THR 441 -2.118 3.837 9.379 50 HA THR 441 HA THR 441 0.178 4.627 7.686 51 HB THR 441 HB THR 441 0.820 4.417 10.035 52 HG1 THR 441 HG1 THR 441 2.285 3.705 8.335 53 HG21 THR 441 HG21 THR 441 -0.857 2.833 10.810 54 HG22 THR 441 HG22 THR 441 0.758 2.219 11.160 55 HG23 THR 441 HG23 THR 441 -0.157 1.564 9.802 56 H VAL 442 H VAL 442 1.281 2.969 6.476 57 HA VAL 442 HA VAL 442 -0.421 0.647 5.812 58 HB VAL 442 HB VAL 442 0.059 0.951 3.434 59 HG11 VAL 442 HG11 VAL 442 -1.315 2.914 3.005 60 HG12 VAL 442 HG12 VAL 442 -1.037 3.493 4.647 61 HG13 VAL 442 HG13 VAL 442 -1.956 2.012 4.380 62 HG21 VAL 442 HG21 VAL 442 1.485 3.485 4.268 63 HG22 VAL 442 HG22 VAL 442 1.148 2.995 2.607 64 HG23 VAL 442 HG23 VAL 442 2.240 2.035 3.603 65 H GLU 443 H GLU 443 0.625 -1.227 5.133 66 HA GLU 443 HA GLU 443 3.582 -1.234 5.118 67 HB2 GLU 443 HB2 GLU 443 1.738 -3.292 6.339 68 HB3 GLU 443 HB3 GLU 443 3.448 -3.569 6.058 69 HG2 GLU 443 HG2 GLU 443 3.950 -1.677 7.580 70 HG3 GLU 443 HG3 GLU 443 2.222 -1.542 7.921 71 H ILE 444 H ILE 444 4.577 -2.561 3.599 72 HA ILE 444 HA ILE 444 2.800 -3.986 1.713 73 HB ILE 444 HB ILE 444 5.636 -3.016 1.255 74 HG12 ILE 444 HG12 ILE 444 2.998 -1.997 0.154 75 HG13 ILE 444 HG13 ILE 444 4.004 -1.174 1.343 76 HG21 ILE 444 HG21 ILE 444 3.697 -4.329 -0.663 77 HG22 ILE 444 HG22 ILE 444 5.149 -5.069 0.012 78 HG23 ILE 444 HG23 ILE 444 5.289 -3.690 -1.077 79 HD11 ILE 444 HD11 ILE 444 4.761 -1.770 -1.507 80 HD12 ILE 444 HD12 ILE 444 5.781 -0.958 -0.318 81 HD13 ILE 444 HD13 ILE 444 4.280 -0.204 -0.853 82 H LYS 445 H LYS 445 3.015 -6.142 1.442 83 HA LYS 445 HA LYS 445 5.356 -7.523 2.585 84 HB2 LYS 445 HB2 LYS 445 3.523 -7.669 4.223 85 HB3 LYS 445 HB3 LYS 445 2.454 -8.308 2.987 86 HG2 LYS 445 HG2 LYS 445 3.880 -10.296 2.783 87 HG3 LYS 445 HG3 LYS 445 4.933 -9.657 4.047 88 HD2 LYS 445 HD2 LYS 445 3.083 -9.738 5.646 89 HD3 LYS 445 HD3 LYS 445 2.000 -10.330 4.382 90 HE2 LYS 445 HE2 LYS 445 2.780 -12.165 5.794 91 HE3 LYS 445 HE3 LYS 445 3.374 -12.344 4.145 92 HZ1 LYS 445 HZ1 LYS 445 5.497 -11.421 4.870 93 HZ2 LYS 445 HZ2 LYS 445 5.109 -12.820 5.734 94 HZ3 LYS 445 HZ3 LYS 445 4.923 -11.304 6.453 95 H GLY 446 H GLY 446 6.013 -9.383 1.430 96 HA2 GLY 446 HA2 GLY 446 4.653 -11.069 -0.160 97 HA3 GLY 446 HA3 GLY 446 4.834 -9.684 -1.221 98 HA PRO 447 HA PRO 447 8.460 -12.563 -1.892 99 HB2 PRO 447 HB2 PRO 447 7.911 -11.919 -4.714 100 HB3 PRO 447 HB3 PRO 447 8.079 -13.493 -3.935 101 HG2 PRO 447 HG2 PRO 447 5.704 -12.536 -4.810 102 HG3 PRO 447 HG3 PRO 447 5.840 -13.613 -3.414 103 HD2 PRO 447 HD2 PRO 447 5.397 -10.665 -3.495 104 HD3 PRO 447 HD3 PRO 447 4.747 -11.876 -2.374 105 H ASP 448 H ASP 448 10.532 -11.899 -2.159 106 HA ASP 448 HA ASP 448 11.082 -9.094 -2.727 107 HB2 ASP 448 HB2 ASP 448 12.143 -10.142 -0.799 108 HB3 ASP 448 HB3 ASP 448 12.866 -11.371 -1.825 109 H VAL 449 H VAL 449 12.263 -12.255 -3.945 110 HA VAL 449 HA VAL 449 12.905 -10.942 -6.522 111 HB VAL 449 HB VAL 449 14.144 -13.460 -5.373 112 HG11 VAL 449 HG11 VAL 449 14.805 -11.924 -7.891 113 HG12 VAL 449 HG12 VAL 449 14.054 -13.518 -7.804 114 HG13 VAL 449 HG13 VAL 449 15.715 -13.295 -7.257 115 HG21 VAL 449 HG21 VAL 449 14.890 -11.490 -4.150 116 HG22 VAL 449 HG22 VAL 449 15.321 -10.691 -5.662 117 HG23 VAL 449 HG23 VAL 449 16.198 -12.129 -5.143 118 H VAL 450 H VAL 450 11.765 -11.607 -8.266 119 HA VAL 450 HA VAL 450 10.386 -14.216 -8.157 120 HB VAL 450 HB VAL 450 8.427 -13.229 -9.298 121 HG11 VAL 450 HG11 VAL 450 8.389 -13.518 -6.875 122 HG12 VAL 450 HG12 VAL 450 7.477 -12.087 -7.352 123 HG13 VAL 450 HG13 VAL 450 9.091 -11.914 -6.660 124 HG21 VAL 450 HG21 VAL 450 9.796 -10.585 -8.773 125 HG22 VAL 450 HG22 VAL 450 8.139 -10.782 -9.347 126 HG23 VAL 450 HG23 VAL 450 9.490 -11.309 -10.352 127 H GLY 451 H GLY 451 9.673 -15.008 -10.299 128 HA2 GLY 451 HA2 GLY 451 11.767 -14.563 -12.289 129 HA3 GLY 451 HA3 GLY 451 10.570 -15.849 -12.297 130 H VAL 452 H VAL 452 11.326 -14.193 -14.517 131 HA VAL 452 HA VAL 452 9.408 -12.168 -15.009 132 HB VAL 452 HB VAL 452 11.577 -12.336 -16.198 133 HG11 VAL 452 HG11 VAL 452 11.648 -14.746 -16.546 134 HG12 VAL 452 HG12 VAL 452 11.831 -13.888 -18.076 135 HG13 VAL 452 HG13 VAL 452 10.290 -14.639 -17.665 136 HG21 VAL 452 HG21 VAL 452 10.745 -11.685 -18.421 137 HG22 VAL 452 HG22 VAL 452 9.814 -10.934 -17.123 138 HG23 VAL 452 HG23 VAL 452 9.150 -12.311 -18.001 139 H ASN 453 H ASN 453 7.515 -12.169 -16.197 140 HA ASN 453 HA ASN 453 5.499 -12.893 -16.928 141 HB2 ASN 453 HB2 ASN 453 7.113 -15.268 -17.886 142 HB3 ASN 453 HB3 ASN 453 5.424 -14.991 -18.299 143 HD21 ASN 453 HD21 ASN 453 8.684 -14.092 -18.904 144 HD22 ASN 453 HD22 ASN 453 8.360 -13.009 -20.213 145 H LYS 454 H LYS 454 6.567 -13.761 -14.198 146 HA LYS 454 HA LYS 454 4.751 -16.027 -13.706 147 HB2 LYS 454 HB2 LYS 454 6.962 -14.846 -12.013 148 HB3 LYS 454 HB3 LYS 454 5.873 -16.107 -11.448 149 HG2 LYS 454 HG2 LYS 454 7.789 -16.315 -13.771 150 HG3 LYS 454 HG3 LYS 454 7.990 -17.050 -12.179 151 HD2 LYS 454 HD2 LYS 454 5.811 -17.678 -14.186 152 HD3 LYS 454 HD3 LYS 454 7.194 -18.700 -13.791 153 HE2 LYS 454 HE2 LYS 454 6.367 -18.884 -11.474 154 HE3 LYS 454 HE3 LYS 454 4.966 -17.903 -11.907 155 HZ1 LYS 454 HZ1 LYS 454 4.294 -19.601 -13.472 156 HZ2 LYS 454 HZ2 LYS 454 4.468 -20.275 -11.932 157 HZ3 LYS 454 HZ3 LYS 454 5.656 -20.530 -13.106 158 H LEU 455 H LEU 455 3.188 -15.959 -12.057 159 HA LEU 455 HA LEU 455 2.150 -13.283 -11.493 160 HB2 LEU 455 HB2 LEU 455 0.659 -15.032 -12.417 161 HB3 LEU 455 HB3 LEU 455 0.926 -16.000 -10.979 162 HG LEU 455 HG LEU 455 -0.130 -14.224 -9.608 163 HD11 LEU 455 HD11 LEU 455 -1.372 -12.429 -10.716 164 HD12 LEU 455 HD12 LEU 455 -0.710 -12.931 -12.272 165 HD13 LEU 455 HD13 LEU 455 0.362 -12.306 -11.018 166 HD21 LEU 455 HD21 LEU 455 -1.840 -15.226 -11.888 167 HD22 LEU 455 HD22 LEU 455 -2.428 -14.630 -10.335 168 HD23 LEU 455 HD23 LEU 455 -1.467 -16.108 -10.406 169 H ALA 456 H ALA 456 2.622 -12.295 -9.617 170 HA ALA 456 HA ALA 456 3.082 -13.953 -7.207 171 HB1 ALA 456 HB1 ALA 456 4.398 -11.328 -7.919 172 HB2 ALA 456 HB2 ALA 456 5.156 -12.918 -7.972 173 HB3 ALA 456 HB3 ALA 456 4.653 -12.235 -6.426 174 H GLU 457 H GLU 457 1.843 -13.527 -5.455 175 HA GLU 457 HA GLU 457 0.108 -11.150 -5.511 176 HB2 GLU 457 HB2 GLU 457 -0.093 -13.778 -4.054 177 HB3 GLU 457 HB3 GLU 457 -1.015 -12.380 -3.520 178 HG2 GLU 457 HG2 GLU 457 -2.010 -12.226 -5.777 179 HG3 GLU 457 HG3 GLU 457 -1.171 -13.715 -6.216 180 H TYR 458 H TYR 458 0.157 -9.597 -4.008 181 HA TYR 458 HA TYR 458 2.117 -9.816 -1.802 182 HB2 TYR 458 HB2 TYR 458 1.472 -7.446 -3.574 183 HB3 TYR 458 HB3 TYR 458 2.341 -7.289 -2.051 184 HD1 TYR 458 HD1 TYR 458 2.536 -9.383 -5.167 185 HD2 TYR 458 HD2 TYR 458 4.639 -7.159 -2.208 186 HE1 TYR 458 HE1 TYR 458 4.651 -9.834 -6.334 187 HE2 TYR 458 HE2 TYR 458 6.757 -7.606 -3.371 188 HH TYR 458 HH TYR 458 7.714 -9.155 -4.930 189 H GLU 459 H GLU 459 1.633 -8.378 0.053 190 HA GLU 459 HA GLU 459 -1.273 -8.033 0.470 191 HB2 GLU 459 HB2 GLU 459 0.853 -8.848 2.463 192 HB3 GLU 459 HB3 GLU 459 -0.810 -8.476 2.885 193 HG2 GLU 459 HG2 GLU 459 -1.567 -10.369 1.525 194 HG3 GLU 459 HG3 GLU 459 0.113 -10.745 1.130 195 H VAL 460 H VAL 460 -1.884 -6.005 0.863 196 HA VAL 460 HA VAL 460 0.023 -4.074 1.988 197 HB VAL 460 HB VAL 460 -2.749 -3.519 0.893 198 HG11 VAL 460 HG11 VAL 460 -1.921 -1.820 2.438 199 HG12 VAL 460 HG12 VAL 460 -1.976 -1.191 0.791 200 HG13 VAL 460 HG13 VAL 460 -0.434 -1.673 1.502 201 HG21 VAL 460 HG21 VAL 460 -1.610 -2.704 -1.141 202 HG22 VAL 460 HG22 VAL 460 -1.370 -4.434 -0.888 203 HG23 VAL 460 HG23 VAL 460 -0.075 -3.297 -0.503 204 H HIS 461 H HIS 461 -0.009 -3.910 4.151 205 HA HIS 461 HA HIS 461 -2.489 -4.555 5.608 206 HB2 HIS 461 HB2 HIS 461 0.385 -4.415 6.547 207 HB3 HIS 461 HB3 HIS 461 -0.980 -4.688 7.619 208 HD1 HIS 461 HD1 HIS 461 -0.762 -7.064 8.296 209 HD2 HIS 461 HD2 HIS 461 -0.182 -6.573 4.212 210 HE1 HIS 461 HE1 HIS 461 -0.550 -9.383 7.368 211 HE2 HIS 461 HE2 HIS 461 -0.412 -9.067 4.878 212 H VAL 462 H VAL 462 -3.719 -2.829 6.088 213 HA VAL 462 HA VAL 462 -2.387 -0.278 6.750 214 HB VAL 462 HB VAL 462 -4.196 0.949 5.735 215 HG11 VAL 462 HG11 VAL 462 -2.376 0.243 4.262 216 HG12 VAL 462 HG12 VAL 462 -3.903 0.329 3.384 217 HG13 VAL 462 HG13 VAL 462 -3.255 -1.236 3.871 218 HG21 VAL 462 HG21 VAL 462 -6.034 -0.177 4.518 219 HG22 VAL 462 HG22 VAL 462 -6.074 -0.511 6.250 220 HG23 VAL 462 HG23 VAL 462 -5.467 -1.731 5.131 221 H LYS 463 H LYS 463 -3.083 0.819 8.537 222 HA LYS 463 HA LYS 463 -5.423 -0.131 10.005 223 HB2 LYS 463 HB2 LYS 463 -3.992 -0.343 12.109 224 HB3 LYS 463 HB3 LYS 463 -3.844 -1.631 10.919 225 HG2 LYS 463 HG2 LYS 463 -1.733 -0.961 10.251 226 HG3 LYS 463 HG3 LYS 463 -1.946 0.677 10.852 227 HD2 LYS 463 HD2 LYS 463 -0.499 -0.217 12.426 228 HD3 LYS 463 HD3 LYS 463 -2.063 -0.485 13.192 229 HE2 LYS 463 HE2 LYS 463 -0.445 -2.513 11.645 230 HE3 LYS 463 HE3 LYS 463 -0.661 -2.458 13.392 231 HZ1 LYS 463 HZ1 LYS 463 -2.110 -4.102 12.459 232 HZ2 LYS 463 HZ2 LYS 463 -2.762 -2.992 11.366 233 HZ3 LYS 463 HZ3 LYS 463 -3.054 -2.819 13.019 234 H ASN 464 H ASN 464 -6.147 1.285 11.643 235 HA ASN 464 HA ASN 464 -5.130 4.039 11.419 236 HB2 ASN 464 HB2 ASN 464 -7.556 3.546 11.020 237 HB3 ASN 464 HB3 ASN 464 -7.689 3.017 12.692 238 HD21 ASN 464 HD21 ASN 464 -9.099 5.125 11.337 239 HD22 ASN 464 HD22 ASN 464 -8.766 6.581 12.202 240 H LEU 465 H LEU 465 -3.989 4.933 13.069 241 HA LEU 465 HA LEU 465 -3.883 3.466 15.629 242 HB2 LEU 465 HB2 LEU 465 -1.830 5.320 14.409 243 HB3 LEU 465 HB3 LEU 465 -1.659 4.468 15.933 244 HG LEU 465 HG LEU 465 -1.833 3.195 13.191 245 HD11 LEU 465 HD11 LEU 465 0.307 4.283 13.609 246 HD12 LEU 465 HD12 LEU 465 0.482 2.529 13.602 247 HD13 LEU 465 HD13 LEU 465 0.470 3.405 15.132 248 HD21 LEU 465 HD21 LEU 465 -1.390 1.078 14.349 249 HD22 LEU 465 HD22 LEU 465 -2.917 1.792 14.867 250 HD23 LEU 465 HD23 LEU 465 -1.495 1.906 15.904 251 H GLY 466 H GLY 466 -5.108 6.275 14.290 252 HA2 GLY 466 HA2 GLY 466 -4.579 8.108 16.450 253 HA3 GLY 466 HA3 GLY 466 -5.703 8.352 15.125 254 H GLY 467 H GLY 467 -7.021 5.712 15.850 255 HA2 GLY 467 HA2 GLY 467 -8.535 4.857 17.413 256 HA3 GLY 467 HA3 GLY 467 -8.151 6.188 18.488 257 H ILE 468 H ILE 468 -9.038 6.892 15.226 258 HA ILE 468 HA ILE 468 -11.840 7.396 15.934 259 HB ILE 468 HB ILE 468 -10.933 9.536 16.375 260 HG12 ILE 468 HG12 ILE 468 -11.987 9.650 13.530 261 HG13 ILE 468 HG13 ILE 468 -12.994 9.539 14.972 262 HG21 ILE 468 HG21 ILE 468 -9.465 9.371 13.747 263 HG22 ILE 468 HG22 ILE 468 -8.751 9.232 15.354 264 HG23 ILE 468 HG23 ILE 468 -9.472 10.757 14.838 265 HD11 ILE 468 HD11 ILE 468 -12.186 11.708 15.717 266 HD12 ILE 468 HD12 ILE 468 -12.882 11.811 14.099 267 HD13 ILE 468 HD13 ILE 468 -11.131 11.810 14.306 268 H GLY 469 H GLY 469 -13.283 7.098 14.276 269 HA2 GLY 469 HA2 GLY 469 -12.409 5.516 12.080 270 HA3 GLY 469 HA3 GLY 469 -14.044 6.071 12.365 271 H VAL 470 H VAL 470 -12.053 5.926 9.987 272 HA VAL 470 HA VAL 470 -12.742 8.576 8.881 273 HB VAL 470 HB VAL 470 -10.139 7.099 8.403 274 HG11 VAL 470 HG11 VAL 470 -11.118 9.754 7.337 275 HG12 VAL 470 HG12 VAL 470 -10.835 8.282 6.406 276 HG13 VAL 470 HG13 VAL 470 -9.479 9.127 7.150 277 HG21 VAL 470 HG21 VAL 470 -10.677 9.662 9.916 278 HG22 VAL 470 HG22 VAL 470 -9.083 8.994 9.563 279 HG23 VAL 470 HG23 VAL 470 -10.193 8.117 10.616 280 HA PRO 471 HA PRO 471 -14.367 5.771 5.677 281 HB2 PRO 471 HB2 PRO 471 -16.084 7.508 4.575 282 HB3 PRO 471 HB3 PRO 471 -16.410 6.765 6.147 283 HG2 PRO 471 HG2 PRO 471 -15.363 9.503 5.522 284 HG3 PRO 471 HG3 PRO 471 -16.565 9.013 6.729 285 HD2 PRO 471 HD2 PRO 471 -13.906 9.508 7.286 286 HD3 PRO 471 HD3 PRO 471 -14.960 8.480 8.277 287 H SER 472 H SER 472 -12.528 8.608 5.408 288 HA SER 472 HA SER 472 -12.607 8.907 2.538 289 HB2 SER 472 HB2 SER 472 -10.812 10.226 4.591 290 HB3 SER 472 HB3 SER 472 -10.971 10.708 2.903 291 HG SER 472 HG SER 472 -13.252 11.055 3.388 292 H THR 473 H THR 473 -11.398 6.365 3.876 293 HA THR 473 HA THR 473 -8.528 6.777 3.599 294 HB THR 473 HB THR 473 -10.047 4.334 4.560 295 HG1 THR 473 HG1 THR 473 -10.393 5.662 6.193 296 HG21 THR 473 HG21 THR 473 -7.123 5.059 4.855 297 HG22 THR 473 HG22 THR 473 -7.770 3.793 3.812 298 HG23 THR 473 HG23 THR 473 -7.914 3.652 5.564 299 H LYS 474 H LYS 474 -8.000 6.755 1.486 300 HA LYS 474 HA LYS 474 -8.635 4.371 -0.129 301 HB2 LYS 474 HB2 LYS 474 -7.724 7.142 -0.947 302 HB3 LYS 474 HB3 LYS 474 -7.895 5.797 -2.064 303 HG2 LYS 474 HG2 LYS 474 -10.268 5.695 -1.655 304 HG3 LYS 474 HG3 LYS 474 -10.138 6.931 -0.400 305 HD2 LYS 474 HD2 LYS 474 -9.262 7.451 -3.229 306 HD3 LYS 474 HD3 LYS 474 -10.938 7.671 -2.728 307 HE2 LYS 474 HE2 LYS 474 -8.543 9.042 -1.499 308 HE3 LYS 474 HE3 LYS 474 -9.643 9.771 -2.669 309 HZ1 LYS 474 HZ1 LYS 474 -10.265 8.917 0.104 310 HZ2 LYS 474 HZ2 LYS 474 -11.454 9.336 -1.026 311 HZ3 LYS 474 HZ3 LYS 474 -10.313 10.480 -0.536 312 H VAL 475 H VAL 475 -7.080 2.915 -0.424 313 HA VAL 475 HA VAL 475 -4.267 3.640 0.113 314 HB VAL 475 HB VAL 475 -5.519 0.884 -0.035 315 HG11 VAL 475 HG11 VAL 475 -2.790 1.777 0.912 316 HG12 VAL 475 HG12 VAL 475 -3.140 0.852 -0.548 317 HG13 VAL 475 HG13 VAL 475 -3.429 0.137 1.038 318 HG21 VAL 475 HG21 VAL 475 -4.782 2.522 2.398 319 HG22 VAL 475 HG22 VAL 475 -5.372 0.860 2.409 320 HG23 VAL 475 HG23 VAL 475 -6.420 2.164 1.849 321 H ARG 476 H ARG 476 -2.886 3.770 -1.552 322 HA ARG 476 HA ARG 476 -3.708 2.662 -4.168 323 HB2 ARG 476 HB2 ARG 476 -2.002 5.092 -3.590 324 HB3 ARG 476 HB3 ARG 476 -2.430 4.502 -5.190 325 HG2 ARG 476 HG2 ARG 476 -4.769 4.992 -4.784 326 HG3 ARG 476 HG3 ARG 476 -4.403 5.486 -3.129 327 HD2 ARG 476 HD2 ARG 476 -2.987 7.296 -3.990 328 HD3 ARG 476 HD3 ARG 476 -3.372 6.808 -5.641 329 HE ARG 476 HE ARG 476 -5.797 7.284 -4.786 330 HH11 ARG 476 HH11 ARG 476 -2.943 9.069 -4.074 331 HH12 ARG 476 HH12 ARG 476 -3.787 10.575 -3.932 332 HH21 ARG 476 HH21 ARG 476 -6.880 9.215 -4.602 333 HH22 ARG 476 HH22 ARG 476 -6.004 10.658 -4.218 334 H VAL 477 H VAL 477 -2.192 1.618 -5.452 335 HA VAL 477 HA VAL 477 0.460 1.101 -4.249 336 HB VAL 477 HB VAL 477 -1.244 -0.796 -5.887 337 HG11 VAL 477 HG11 VAL 477 1.124 -1.066 -6.432 338 HG12 VAL 477 HG12 VAL 477 0.534 -2.450 -5.513 339 HG13 VAL 477 HG13 VAL 477 1.514 -1.219 -4.717 340 HG21 VAL 477 HG21 VAL 477 -1.296 -2.164 -3.852 341 HG22 VAL 477 HG22 VAL 477 -2.005 -0.572 -3.574 342 HG23 VAL 477 HG23 VAL 477 -0.378 -0.927 -2.992 343 H TYR 478 H TYR 478 2.075 1.902 -5.419 344 HA TYR 478 HA TYR 478 1.730 2.291 -8.329 345 HB2 TYR 478 HB2 TYR 478 3.518 3.768 -6.373 346 HB3 TYR 478 HB3 TYR 478 3.488 4.044 -8.111 347 HD1 TYR 478 HD1 TYR 478 1.485 4.334 -5.004 348 HD2 TYR 478 HD2 TYR 478 1.836 5.438 -9.102 349 HE1 TYR 478 HE1 TYR 478 -0.307 5.990 -4.708 350 HE2 TYR 478 HE2 TYR 478 0.048 7.100 -8.814 351 HH TYR 478 HH TYR 478 -1.202 7.936 -5.692 352 H ILE 479 H ILE 479 3.317 1.580 -9.729 353 HA ILE 479 HA ILE 479 5.648 0.182 -8.566 354 HB ILE 479 HB ILE 479 4.180 -0.527 -11.125 355 HG12 ILE 479 HG12 ILE 479 4.371 -2.019 -8.488 356 HG13 ILE 479 HG13 ILE 479 2.948 -1.165 -9.076 357 HG21 ILE 479 HG21 ILE 479 6.587 -0.924 -11.306 358 HG22 ILE 479 HG22 ILE 479 5.707 -2.449 -11.238 359 HG23 ILE 479 HG23 ILE 479 6.558 -1.859 -9.810 360 HD11 ILE 479 HD11 ILE 479 2.738 -3.554 -9.402 361 HD12 ILE 479 HD12 ILE 479 4.222 -3.577 -10.354 362 HD13 ILE 479 HD13 ILE 479 2.801 -2.720 -10.954 363 H ASN 480 H ASN 480 7.347 1.489 -8.854 364 HA ASN 480 HA ASN 480 8.822 2.981 -9.739 365 HB2 ASN 480 HB2 ASN 480 7.892 1.741 -12.343 366 HB3 ASN 480 HB3 ASN 480 9.298 2.786 -12.181 367 HD21 ASN 480 HD21 ASN 480 9.178 0.066 -13.101 368 HD22 ASN 480 HD22 ASN 480 10.215 -0.841 -12.062 369 H GLY 481 H GLY 481 6.157 3.932 -9.226 370 HA2 GLY 481 HA2 GLY 481 5.457 6.205 -9.403 371 HA3 GLY 481 HA3 GLY 481 6.172 6.281 -11.003 372 H THR 482 H THR 482 4.874 3.716 -11.816 373 HA THR 482 HA THR 482 2.421 4.936 -12.767 374 HB THR 482 HB THR 482 3.550 2.180 -13.335 375 HG1 THR 482 HG1 THR 482 4.918 3.599 -14.289 376 HG21 THR 482 HG21 THR 482 2.014 2.165 -15.253 377 HG22 THR 482 HG22 THR 482 1.335 3.705 -14.726 378 HG23 THR 482 HG23 THR 482 1.131 2.263 -13.731 379 H LEU 483 H LEU 483 0.528 4.785 -11.766 380 HA LEU 483 HA LEU 483 0.058 3.212 -9.474 381 HB2 LEU 483 HB2 LEU 483 -1.138 5.302 -9.935 382 HB3 LEU 483 HB3 LEU 483 -1.921 4.564 -11.321 383 HG LEU 483 HG LEU 483 -3.074 2.977 -9.795 384 HD11 LEU 483 HD11 LEU 483 -1.835 4.642 -7.602 385 HD12 LEU 483 HD12 LEU 483 -1.490 2.947 -7.951 386 HD13 LEU 483 HD13 LEU 483 -3.089 3.422 -7.381 387 HD21 LEU 483 HD21 LEU 483 -3.498 5.898 -9.150 388 HD22 LEU 483 HD22 LEU 483 -4.656 4.599 -8.860 389 HD23 LEU 483 HD23 LEU 483 -4.199 5.019 -10.510 390 H TYR 484 H TYR 484 -0.178 1.073 -9.396 391 HA TYR 484 HA TYR 484 -1.086 -0.424 -11.718 392 HB2 TYR 484 HB2 TYR 484 0.734 -1.475 -10.688 393 HB3 TYR 484 HB3 TYR 484 0.130 -1.160 -9.065 394 HD1 TYR 484 HD1 TYR 484 -0.528 -3.210 -12.119 395 HD2 TYR 484 HD2 TYR 484 -1.109 -2.795 -7.918 396 HE1 TYR 484 HE1 TYR 484 -1.525 -5.458 -12.035 397 HE2 TYR 484 HE2 TYR 484 -2.110 -5.034 -7.833 398 HH TYR 484 HH TYR 484 -1.943 -7.249 -10.394 399 H LYS 485 H LYS 485 -2.214 0.207 -8.395 400 HA LYS 485 HA LYS 485 -4.943 -0.324 -9.079 401 HB2 LYS 485 HB2 LYS 485 -3.984 -2.638 -8.936 402 HB3 LYS 485 HB3 LYS 485 -3.597 -2.329 -7.250 403 HG2 LYS 485 HG2 LYS 485 -5.936 -2.137 -6.698 404 HG3 LYS 485 HG3 LYS 485 -6.387 -2.267 -8.401 405 HD2 LYS 485 HD2 LYS 485 -5.400 -4.542 -8.448 406 HD3 LYS 485 HD3 LYS 485 -5.056 -4.405 -6.723 407 HE2 LYS 485 HE2 LYS 485 -7.445 -4.176 -6.255 408 HE3 LYS 485 HE3 LYS 485 -7.801 -4.264 -7.980 409 HZ1 LYS 485 HZ1 LYS 485 -6.615 -6.418 -6.315 410 HZ2 LYS 485 HZ2 LYS 485 -6.840 -6.507 -7.988 411 HZ3 LYS 485 HZ3 LYS 485 -8.173 -6.385 -6.960 412 H ASN 486 H ASN 486 -6.415 -0.048 -7.203 413 HA ASN 486 HA ASN 486 -5.268 0.829 -4.699 414 HB2 ASN 486 HB2 ASN 486 -6.078 3.074 -4.677 415 HB3 ASN 486 HB3 ASN 486 -5.165 2.874 -6.165 416 HD21 ASN 486 HD21 ASN 486 -7.281 1.472 -7.580 417 HD22 ASN 486 HD22 ASN 486 -8.499 2.644 -7.909 418 H TRP 487 H TRP 487 -6.896 1.272 -3.037 419 HA TRP 487 HA TRP 487 -9.570 0.153 -3.611 420 HB2 TRP 487 HB2 TRP 487 -7.891 -0.513 -1.173 421 HB3 TRP 487 HB3 TRP 487 -9.523 -1.083 -1.489 422 HD1 TRP 487 HD1 TRP 487 -9.808 -3.074 -3.258 423 HE1 TRP 487 HE1 TRP 487 -8.128 -4.773 -4.212 424 HE3 TRP 487 HE3 TRP 487 -5.455 -0.741 -1.938 425 HZ2 TRP 487 HZ2 TRP 487 -5.328 -5.086 -4.381 426 HZ3 TRP 487 HZ3 TRP 487 -3.319 -1.805 -2.531 427 HH2 TRP 487 HH2 TRP 487 -3.258 -3.936 -3.729 428 H THR 488 H THR 488 -11.266 0.989 -2.352 429 HA THR 488 HA THR 488 -10.574 3.240 -0.553 430 HB THR 488 HB THR 488 -13.188 2.836 -2.042 431 HG1 THR 488 HG1 THR 488 -11.043 3.536 -3.163 432 HG21 THR 488 HG21 THR 488 -12.154 5.176 -0.424 433 HG22 THR 488 HG22 THR 488 -13.463 4.089 0.044 434 HG23 THR 488 HG23 THR 488 -13.655 5.156 -1.348 435 H VAL 489 H VAL 489 -10.901 2.821 1.539 436 HA VAL 489 HA VAL 489 -13.126 1.078 2.357 437 HB VAL 489 HB VAL 489 -11.717 -0.078 4.004 438 HG11 VAL 489 HG11 VAL 489 -12.055 -1.150 1.847 439 HG12 VAL 489 HG12 VAL 489 -10.448 -1.514 2.472 440 HG13 VAL 489 HG13 VAL 489 -10.644 -0.317 1.191 441 HG21 VAL 489 HG21 VAL 489 -10.021 1.656 4.333 442 HG22 VAL 489 HG22 VAL 489 -9.392 1.358 2.711 443 HG23 VAL 489 HG23 VAL 489 -9.278 0.104 3.948 444 H SER 490 H SER 490 -13.358 1.147 4.836 445 HA SER 490 HA SER 490 -12.679 3.839 5.868 446 HB2 SER 490 HB2 SER 490 -14.741 3.828 7.164 447 HB3 SER 490 HB3 SER 490 -15.128 3.550 5.466 448 HG SER 490 HG SER 490 -15.219 1.284 5.975 449 H LEU 491 H LEU 491 -11.588 3.902 7.772 450 HA LEU 491 HA LEU 491 -11.309 1.358 9.257 451 HB2 LEU 491 HB2 LEU 491 -9.275 3.572 8.908 452 HB3 LEU 491 HB3 LEU 491 -9.065 2.180 9.952 453 HG LEU 491 HG LEU 491 -9.324 2.095 6.936 454 HD11 LEU 491 HD11 LEU 491 -7.193 3.014 7.599 455 HD12 LEU 491 HD12 LEU 491 -6.964 1.374 6.999 456 HD13 LEU 491 HD13 LEU 491 -6.933 1.691 8.735 457 HD21 LEU 491 HD21 LEU 491 -10.273 0.098 7.951 458 HD22 LEU 491 HD22 LEU 491 -8.816 -0.128 8.920 459 HD23 LEU 491 HD23 LEU 491 -8.742 -0.283 7.164 460 H GLY 492 H GLY 492 -12.251 1.411 11.171 461 HA2 GLY 492 HA2 GLY 492 -12.979 3.874 12.477 462 HA3 GLY 492 HA3 GLY 492 -13.297 2.250 13.055 463 HA PRO 493 HA PRO 493 -10.059 4.214 15.833 464 HB2 PRO 493 HB2 PRO 493 -11.158 3.109 18.111 465 HB3 PRO 493 HB3 PRO 493 -11.551 4.715 17.495 466 HG2 PRO 493 HG2 PRO 493 -13.034 2.135 17.129 467 HG3 PRO 493 HG3 PRO 493 -13.671 3.749 17.499 468 HD2 PRO 493 HD2 PRO 493 -13.786 2.758 15.014 469 HD3 PRO 493 HD3 PRO 493 -13.443 4.479 15.295 470 H LYS 494 H LYS 494 -8.335 2.966 15.272 471 HA LYS 494 HA LYS 494 -6.757 1.346 15.438 472 HB2 LYS 494 HB2 LYS 494 -8.540 0.240 17.624 473 HB3 LYS 494 HB3 LYS 494 -6.879 -0.254 17.320 474 HG2 LYS 494 HG2 LYS 494 -7.689 2.570 18.017 475 HG3 LYS 494 HG3 LYS 494 -7.166 1.369 19.206 476 HD2 LYS 494 HD2 LYS 494 -5.002 1.181 18.068 477 HD3 LYS 494 HD3 LYS 494 -5.531 2.352 16.858 478 HE2 LYS 494 HE2 LYS 494 -4.091 3.372 18.574 479 HE3 LYS 494 HE3 LYS 494 -5.705 4.076 18.552 480 HZ1 LYS 494 HZ1 LYS 494 -6.299 2.775 20.470 481 HZ2 LYS 494 HZ2 LYS 494 -4.888 3.645 20.807 482 HZ3 LYS 494 HZ3 LYS 494 -4.800 1.991 20.464 483 H GLU 495 H GLU 495 -9.040 1.126 13.647 484 HA GLU 495 HA GLU 495 -9.593 -1.702 13.313 485 HB2 GLU 495 HB2 GLU 495 -11.325 -0.104 12.754 486 HB3 GLU 495 HB3 GLU 495 -10.251 0.752 11.663 487 HG2 GLU 495 HG2 GLU 495 -11.779 -0.500 10.346 488 HG3 GLU 495 HG3 GLU 495 -10.202 -1.275 10.214 489 H GLU 496 H GLU 496 -8.983 -2.935 11.432 490 HA GLU 496 HA GLU 496 -6.607 -1.961 9.977 491 HB2 GLU 496 HB2 GLU 496 -5.793 -3.312 11.839 492 HB3 GLU 496 HB3 GLU 496 -6.868 -4.627 11.386 493 HG2 GLU 496 HG2 GLU 496 -5.622 -4.746 9.199 494 HG3 GLU 496 HG3 GLU 496 -4.456 -3.619 9.895 495 H LYS 497 H LYS 497 -6.274 -2.886 7.921 496 HA LYS 497 HA LYS 497 -8.123 -4.926 6.951 497 HB2 LYS 497 HB2 LYS 497 -7.908 -2.143 5.797 498 HB3 LYS 497 HB3 LYS 497 -8.439 -3.507 4.818 499 HG2 LYS 497 HG2 LYS 497 -9.760 -2.758 7.409 500 HG3 LYS 497 HG3 LYS 497 -10.266 -2.122 5.839 501 HD2 LYS 497 HD2 LYS 497 -10.993 -4.195 5.082 502 HD3 LYS 497 HD3 LYS 497 -9.969 -5.082 6.212 503 HE2 LYS 497 HE2 LYS 497 -12.294 -3.398 7.087 504 HE3 LYS 497 HE3 LYS 497 -12.443 -5.105 6.681 505 HZ1 LYS 497 HZ1 LYS 497 -10.799 -5.608 8.406 506 HZ2 LYS 497 HZ2 LYS 497 -12.151 -4.827 9.056 507 HZ3 LYS 497 HZ3 LYS 497 -10.713 -3.972 8.818 508 H VAL 498 H VAL 498 -7.065 -6.414 5.805 509 HA VAL 498 HA VAL 498 -4.438 -5.721 4.652 510 HB VAL 498 HB VAL 498 -5.539 -8.454 5.352 511 HG11 VAL 498 HG11 VAL 498 -3.253 -9.260 4.926 512 HG12 VAL 498 HG12 VAL 498 -2.786 -7.644 4.394 513 HG13 VAL 498 HG13 VAL 498 -3.979 -8.563 3.477 514 HG21 VAL 498 HG21 VAL 498 -3.450 -6.771 6.747 515 HG22 VAL 498 HG22 VAL 498 -3.899 -8.421 7.181 516 HG23 VAL 498 HG23 VAL 498 -5.074 -7.117 7.342 517 H LEU 499 H LEU 499 -4.472 -5.357 2.545 518 HA LEU 499 HA LEU 499 -6.584 -6.573 0.880 519 HB2 LEU 499 HB2 LEU 499 -4.924 -4.121 0.277 520 HB3 LEU 499 HB3 LEU 499 -6.377 -4.651 -0.555 521 HG LEU 499 HG LEU 499 -6.305 -3.723 2.326 522 HD11 LEU 499 HD11 LEU 499 -7.350 -1.664 1.536 523 HD12 LEU 499 HD12 LEU 499 -7.183 -2.211 -0.132 524 HD13 LEU 499 HD13 LEU 499 -5.747 -1.882 0.836 525 HD21 LEU 499 HD21 LEU 499 -8.140 -5.245 1.893 526 HD22 LEU 499 HD22 LEU 499 -8.621 -4.311 0.476 527 HD23 LEU 499 HD23 LEU 499 -8.754 -3.605 2.089 528 H THR 500 H THR 500 -6.040 -7.758 -0.949 529 HA THR 500 HA THR 500 -3.150 -8.192 -1.415 530 HB THR 500 HB THR 500 -3.889 -10.398 -2.442 531 HG1 THR 500 HG1 THR 500 -5.941 -11.128 -1.967 532 HG21 THR 500 HG21 THR 500 -2.862 -10.285 -0.223 533 HG22 THR 500 HG22 THR 500 -4.101 -11.538 -0.293 534 HG23 THR 500 HG23 THR 500 -4.445 -10.001 0.504 535 H PHE 501 H PHE 501 -2.334 -8.342 -3.490 536 HA PHE 501 HA PHE 501 -4.155 -8.112 -5.765 537 HB2 PHE 501 HB2 PHE 501 -2.858 -6.306 -6.809 538 HB3 PHE 501 HB3 PHE 501 -3.551 -5.790 -5.279 539 HD1 PHE 501 HD1 PHE 501 -2.110 -5.352 -3.342 540 HD2 PHE 501 HD2 PHE 501 -0.466 -6.497 -7.105 541 HE1 PHE 501 HE1 PHE 501 0.107 -4.581 -2.610 542 HE2 PHE 501 HE2 PHE 501 1.753 -5.728 -6.371 543 HZ PHE 501 HZ PHE 501 2.040 -4.768 -4.124 544 H SER 502 H SER 502 -3.299 -8.893 -7.737 545 HA SER 502 HA SER 502 -0.853 -10.530 -7.423 546 HB2 SER 502 HB2 SER 502 -1.873 -12.129 -9.006 547 HB3 SER 502 HB3 SER 502 -2.885 -11.903 -7.584 548 HG SER 502 HG SER 502 -3.266 -10.917 -10.210 549 H TRP 503 H TRP 503 0.792 -9.820 -8.609 550 HA TRP 503 HA TRP 503 0.239 -8.358 -11.118 551 HB2 TRP 503 HB2 TRP 503 1.112 -6.854 -9.437 552 HB3 TRP 503 HB3 TRP 503 2.444 -7.946 -9.085 553 HD1 TRP 503 HD1 TRP 503 1.192 -6.269 -12.377 554 HE1 TRP 503 HE1 TRP 503 3.237 -5.252 -13.558 555 HE3 TRP 503 HE3 TRP 503 4.809 -7.532 -8.984 556 HZ2 TRP 503 HZ2 TRP 503 6.013 -5.006 -13.108 557 HZ3 TRP 503 HZ3 TRP 503 7.133 -6.860 -9.435 558 HH2 TRP 503 HH2 TRP 503 7.720 -5.623 -11.456 559 H THR 504 H THR 504 1.296 -8.937 -12.965 560 HA THR 504 HA THR 504 3.259 -11.149 -12.784 561 HB THR 504 HB THR 504 1.493 -10.400 -15.133 562 HG1 THR 504 HG1 THR 504 1.069 -11.970 -12.975 563 HG21 THR 504 HG21 THR 504 2.332 -12.471 -16.163 564 HG22 THR 504 HG22 THR 504 3.424 -12.708 -14.796 565 HG23 THR 504 HG23 THR 504 3.641 -11.326 -15.871 566 HA PRO 505 HA PRO 505 5.982 -7.841 -14.420 567 HB2 PRO 505 HB2 PRO 505 8.296 -8.991 -13.591 568 HB3 PRO 505 HB3 PRO 505 7.283 -8.014 -12.523 569 HG2 PRO 505 HG2 PRO 505 7.436 -11.000 -12.775 570 HG3 PRO 505 HG3 PRO 505 7.387 -10.005 -11.305 571 HD2 PRO 505 HD2 PRO 505 5.192 -11.256 -12.282 572 HD3 PRO 505 HD3 PRO 505 5.097 -9.697 -11.439 573 H THR 506 H THR 506 5.357 -8.545 -16.565 574 HA THR 506 HA THR 506 6.601 -10.826 -17.796 575 HB THR 506 HB THR 506 5.738 -9.756 -19.951 576 HG1 THR 506 HG1 THR 506 4.873 -7.825 -19.832 577 HG21 THR 506 HG21 THR 506 3.733 -10.275 -17.743 578 HG22 THR 506 HG22 THR 506 4.501 -11.509 -18.746 579 HG23 THR 506 HG23 THR 506 3.410 -10.331 -19.475 580 H GLN 507 H GLN 507 7.901 -7.944 -16.875 581 HA GLN 507 HA GLN 507 10.076 -8.213 -18.851 582 HB2 GLN 507 HB2 GLN 507 8.734 -6.161 -19.289 583 HB3 GLN 507 HB3 GLN 507 9.091 -5.605 -17.659 584 HG2 GLN 507 HG2 GLN 507 10.525 -4.501 -19.259 585 HG3 GLN 507 HG3 GLN 507 11.481 -5.544 -18.208 586 HE21 GLN 507 HE21 GLN 507 10.241 -5.086 -21.421 587 HE22 GLN 507 HE22 GLN 507 11.274 -6.236 -22.191 588 H GLU 508 H GLU 508 12.143 -8.224 -18.015 589 HA GLU 508 HA GLU 508 12.298 -8.709 -15.162 590 HB2 GLU 508 HB2 GLU 508 14.597 -9.486 -15.634 591 HB3 GLU 508 HB3 GLU 508 13.380 -10.290 -16.608 592 HG2 GLU 508 HG2 GLU 508 15.026 -9.920 -18.159 593 HG3 GLU 508 HG3 GLU 508 14.004 -8.505 -18.400 594 H GLY 509 H GLY 509 13.808 -7.772 -13.719 595 HA2 GLY 509 HA2 GLY 509 15.622 -5.902 -13.714 596 HA3 GLY 509 HA3 GLY 509 14.280 -4.914 -14.276 597 H MET 510 H MET 510 15.273 -3.916 -12.077 598 HA MET 510 HA MET 510 13.893 -5.063 -9.761 599 HB2 MET 510 HB2 MET 510 15.813 -2.740 -9.986 600 HB3 MET 510 HB3 MET 510 15.031 -3.226 -8.488 601 HG2 MET 510 HG2 MET 510 16.072 -5.524 -8.891 602 HG3 MET 510 HG3 MET 510 17.076 -4.715 -10.093 603 HE1 MET 510 HE1 MET 510 17.010 -3.528 -5.633 604 HE2 MET 510 HE2 MET 510 16.104 -4.904 -6.265 605 HE3 MET 510 HE3 MET 510 15.672 -3.266 -6.755 606 H TYR 511 H TYR 511 11.891 -4.494 -9.316 607 HA TYR 511 HA TYR 511 10.878 -1.872 -10.228 608 HB2 TYR 511 HB2 TYR 511 9.415 -4.485 -9.775 609 HB3 TYR 511 HB3 TYR 511 8.611 -2.956 -10.123 610 HD1 TYR 511 HD1 TYR 511 11.140 -5.324 -11.515 611 HD2 TYR 511 HD2 TYR 511 8.257 -2.300 -12.345 612 HE1 TYR 511 HE1 TYR 511 11.423 -5.720 -13.923 613 HE2 TYR 511 HE2 TYR 511 8.537 -2.692 -14.754 614 HH TYR 511 HH TYR 511 10.223 -5.396 -15.991 615 H ARG 512 H ARG 512 10.160 -0.448 -8.763 616 HA ARG 512 HA ARG 512 10.157 -1.272 -5.947 617 HB2 ARG 512 HB2 ARG 512 11.635 0.568 -6.505 618 HB3 ARG 512 HB3 ARG 512 10.302 1.467 -7.219 619 HG2 ARG 512 HG2 ARG 512 9.316 1.880 -5.118 620 HG3 ARG 512 HG3 ARG 512 10.312 0.661 -4.320 621 HD2 ARG 512 HD2 ARG 512 11.321 3.239 -5.537 622 HD3 ARG 512 HD3 ARG 512 11.082 2.938 -3.813 623 HE ARG 512 HE ARG 512 12.733 0.934 -4.613 624 HH11 ARG 512 HH11 ARG 512 12.912 4.379 -4.794 625 HH12 ARG 512 HH12 ARG 512 14.639 4.382 -4.741 626 HH21 ARG 512 HH21 ARG 512 14.898 0.959 -4.572 627 HH22 ARG 512 HH22 ARG 512 15.756 2.464 -4.617 628 H ILE 513 H ILE 513 8.284 -1.737 -5.055 629 HA ILE 513 HA ILE 513 5.797 -0.563 -6.062 630 HB ILE 513 HB ILE 513 6.239 -2.781 -4.042 631 HG12 ILE 513 HG12 ILE 513 5.324 -2.890 -6.936 632 HG13 ILE 513 HG13 ILE 513 6.899 -3.398 -6.338 633 HG21 ILE 513 HG21 ILE 513 3.668 -1.788 -5.292 634 HG22 ILE 513 HG22 ILE 513 4.150 -1.598 -3.606 635 HG23 ILE 513 HG23 ILE 513 3.825 -3.206 -4.252 636 HD11 ILE 513 HD11 ILE 513 5.818 -5.149 -5.007 637 HD12 ILE 513 HD12 ILE 513 5.474 -5.309 -6.729 638 HD13 ILE 513 HD13 ILE 513 4.250 -4.651 -5.644 639 H ASN 514 H ASN 514 4.786 1.048 -5.025 640 HA ASN 514 HA ASN 514 5.473 1.590 -2.200 641 HB2 ASN 514 HB2 ASN 514 4.917 3.566 -4.424 642 HB3 ASN 514 HB3 ASN 514 5.024 4.008 -2.722 643 HD21 ASN 514 HD21 ASN 514 7.024 3.941 -1.694 644 HD22 ASN 514 HD22 ASN 514 8.500 3.890 -2.580 645 H ALA 515 H ALA 515 3.810 1.674 -0.798 646 HA ALA 515 HA ALA 515 1.066 1.890 -1.883 647 HB1 ALA 515 HB1 ALA 515 1.511 -0.240 -0.734 648 HB2 ALA 515 HB2 ALA 515 0.288 0.715 0.107 649 HB3 ALA 515 HB3 ALA 515 1.938 0.644 0.731 650 H THR 516 H THR 516 -0.213 3.528 -1.205 651 HA THR 516 HA THR 516 0.738 5.268 0.990 652 HB THR 516 HB THR 516 0.190 7.268 -0.312 653 HG1 THR 516 HG1 THR 516 -0.120 6.771 -2.708 654 HG21 THR 516 HG21 THR 516 1.998 7.190 -1.965 655 HG22 THR 516 HG22 THR 516 2.038 5.430 -1.853 656 HG23 THR 516 HG23 THR 516 2.492 6.413 -0.461 657 H VAL 517 H VAL 517 -0.910 6.533 2.028 658 HA VAL 517 HA VAL 517 -3.680 5.930 1.202 659 HB VAL 517 HB VAL 517 -3.165 4.613 3.203 660 HG11 VAL 517 HG11 VAL 517 -2.690 5.690 5.351 661 HG12 VAL 517 HG12 VAL 517 -2.618 7.260 4.550 662 HG13 VAL 517 HG13 VAL 517 -1.423 6.021 4.169 663 HG21 VAL 517 HG21 VAL 517 -5.448 5.426 2.893 664 HG22 VAL 517 HG22 VAL 517 -5.053 6.902 3.775 665 HG23 VAL 517 HG23 VAL 517 -5.037 5.345 4.605 666 H ASP 518 H ASP 518 -5.111 7.570 1.230 667 HA ASP 518 HA ASP 518 -5.798 9.726 0.917 668 HB2 ASP 518 HB2 ASP 518 -5.877 9.066 3.521 669 HB3 ASP 518 HB3 ASP 518 -4.799 10.453 3.634 670 H GLU 519 H GLU 519 -3.442 9.650 -0.403 671 HA GLU 519 HA GLU 519 -1.336 11.294 0.355 672 HB2 GLU 519 HB2 GLU 519 -2.481 10.901 -2.418 673 HB3 GLU 519 HB3 GLU 519 -0.919 11.631 -2.079 674 HG2 GLU 519 HG2 GLU 519 -0.195 9.512 -1.038 675 HG3 GLU 519 HG3 GLU 519 -1.743 8.794 -1.495 676 H GLU 520 H GLU 520 -4.460 12.191 -0.887 677 HA GLU 520 HA GLU 520 -3.723 14.914 -1.480 678 HB2 GLU 520 HB2 GLU 520 -6.206 15.134 -1.977 679 HB3 GLU 520 HB3 GLU 520 -5.298 13.993 -2.958 680 HG2 GLU 520 HG2 GLU 520 -6.138 12.175 -1.417 681 HG3 GLU 520 HG3 GLU 520 -7.209 13.381 -0.715 682 H ASN 521 H ASN 521 -4.277 13.419 1.378 683 HA ASN 521 HA ASN 521 -4.518 14.161 3.501 684 HB2 ASN 521 HB2 ASN 521 -3.892 16.848 2.262 685 HB3 ASN 521 HB3 ASN 521 -3.781 16.457 3.974 686 HD21 ASN 521 HD21 ASN 521 -1.695 17.430 2.313 687 HD22 ASN 521 HD22 ASN 521 -0.453 16.233 2.298 688 H THR 522 H THR 522 -6.994 14.011 2.030 689 HA THR 522 HA THR 522 -8.667 16.253 2.501 690 HB THR 522 HB THR 522 -10.581 14.711 2.311 691 HG1 THR 522 HG1 THR 522 -8.554 12.772 2.663 692 HG21 THR 522 HG21 THR 522 -10.116 13.874 0.043 693 HG22 THR 522 HG22 THR 522 -8.400 14.202 0.287 694 HG23 THR 522 HG23 THR 522 -9.555 15.531 0.263 695 H VAL 523 H VAL 523 -7.541 13.704 4.580 696 HA VAL 523 HA VAL 523 -9.208 14.726 6.786 697 HB VAL 523 HB VAL 523 -9.401 12.312 6.382 698 HG11 VAL 523 HG11 VAL 523 -7.197 11.873 5.447 699 HG12 VAL 523 HG12 VAL 523 -7.518 10.800 6.810 700 HG13 VAL 523 HG13 VAL 523 -6.450 12.189 7.012 701 HG21 VAL 523 HG21 VAL 523 -9.685 13.188 8.654 702 HG22 VAL 523 HG22 VAL 523 -7.966 12.937 8.967 703 HG23 VAL 523 HG23 VAL 523 -9.021 11.554 8.668 704 H VAL 524 H VAL 524 -8.276 15.600 8.614 705 HA VAL 524 HA VAL 524 -5.404 16.161 8.536 706 HB VAL 524 HB VAL 524 -7.516 17.114 10.493 707 HG11 VAL 524 HG11 VAL 524 -5.294 17.111 11.501 708 HG12 VAL 524 HG12 VAL 524 -5.835 18.762 11.201 709 HG13 VAL 524 HG13 VAL 524 -4.652 18.012 10.128 710 HG21 VAL 524 HG21 VAL 524 -6.246 18.527 8.140 711 HG22 VAL 524 HG22 VAL 524 -7.350 19.264 9.303 712 HG23 VAL 524 HG23 VAL 524 -7.916 17.971 8.245 713 H GLU 525 H GLU 525 -4.010 14.796 9.492 714 HA GLU 525 HA GLU 525 -5.020 13.035 11.636 715 HB2 GLU 525 HB2 GLU 525 -2.775 12.511 9.679 716 HB3 GLU 525 HB3 GLU 525 -3.368 11.391 10.897 717 HG2 GLU 525 HG2 GLU 525 -5.655 11.733 9.648 718 HG3 GLU 525 HG3 GLU 525 -4.604 12.223 8.318 719 H LEU 526 H LEU 526 -2.886 11.948 12.707 720 HA LEU 526 HA LEU 526 -1.589 14.082 14.176 721 HB2 LEU 526 HB2 LEU 526 -1.273 11.075 14.346 722 HB3 LEU 526 HB3 LEU 526 -0.583 12.227 15.475 723 HG LEU 526 HG LEU 526 -3.547 11.804 15.029 724 HD11 LEU 526 HD11 LEU 526 -1.775 10.884 17.299 725 HD12 LEU 526 HD12 LEU 526 -2.531 9.853 16.083 726 HD13 LEU 526 HD13 LEU 526 -3.532 10.736 17.234 727 HD21 LEU 526 HD21 LEU 526 -2.066 13.455 17.082 728 HD22 LEU 526 HD22 LEU 526 -3.810 13.186 17.038 729 HD23 LEU 526 HD23 LEU 526 -3.022 14.075 15.736 730 H ASN 527 H ASN 527 -0.663 11.618 11.812 731 HA ASN 527 HA ASN 527 1.906 12.986 11.409 732 HB2 ASN 527 HB2 ASN 527 2.280 11.047 12.935 733 HB3 ASN 527 HB3 ASN 527 1.637 9.976 11.694 734 HD21 ASN 527 HD21 ASN 527 3.538 8.827 11.500 735 HD22 ASN 527 HD22 ASN 527 4.967 9.493 10.798 736 H GLU 528 H GLU 528 2.895 12.513 9.338 737 HA GLU 528 HA GLU 528 1.075 11.343 7.326 738 HB2 GLU 528 HB2 GLU 528 1.896 13.093 5.729 739 HB3 GLU 528 HB3 GLU 528 0.917 13.721 7.049 740 HG2 GLU 528 HG2 GLU 528 2.875 14.519 8.199 741 HG3 GLU 528 HG3 GLU 528 3.931 13.752 7.015 742 H ASN 529 H ASN 529 4.089 11.223 8.759 743 HA ASN 529 HA ASN 529 5.695 10.617 6.450 744 HB2 ASN 529 HB2 ASN 529 6.220 10.323 9.415 745 HB3 ASN 529 HB3 ASN 529 7.413 9.959 8.171 746 HD21 ASN 529 HD21 ASN 529 8.300 11.642 6.978 747 HD22 ASN 529 HD22 ASN 529 8.199 13.283 7.499 748 H ASN 530 H ASN 530 3.606 8.763 8.471 749 HA ASN 530 HA ASN 530 4.900 6.236 7.676 750 HB2 ASN 530 HB2 ASN 530 3.438 5.197 9.409 751 HB3 ASN 530 HB3 ASN 530 4.531 6.417 10.053 752 HD21 ASN 530 HD21 ASN 530 2.006 5.397 11.109 753 HD22 ASN 530 HD22 ASN 530 0.979 6.778 11.302 754 H ASN 531 H ASN 531 2.688 8.172 6.343 755 HA ASN 531 HA ASN 531 0.603 6.262 5.749 756 HB2 ASN 531 HB2 ASN 531 1.130 8.998 4.558 757 HB3 ASN 531 HB3 ASN 531 -0.325 8.038 4.312 758 HD21 ASN 531 HD21 ASN 531 -1.785 9.351 5.262 759 HD22 ASN 531 HD22 ASN 531 -1.777 9.764 6.939 760 H VAL 532 H VAL 532 3.682 6.414 4.654 761 HA VAL 532 HA VAL 532 2.952 5.261 2.034 762 HB VAL 532 HB VAL 532 5.333 7.076 2.525 763 HG11 VAL 532 HG11 VAL 532 5.669 6.918 0.075 764 HG12 VAL 532 HG12 VAL 532 4.390 5.705 -0.003 765 HG13 VAL 532 HG13 VAL 532 5.871 5.367 0.891 766 HG21 VAL 532 HG21 VAL 532 3.266 8.359 2.464 767 HG22 VAL 532 HG22 VAL 532 2.803 7.581 0.948 768 HG23 VAL 532 HG23 VAL 532 4.206 8.648 1.001 769 H ALA 533 H ALA 533 3.789 3.297 1.685 770 HA ALA 533 HA ALA 533 6.133 2.412 3.261 771 HB1 ALA 533 HB1 ALA 533 3.928 0.703 2.096 772 HB2 ALA 533 HB2 ALA 533 4.069 1.178 3.789 773 HB3 ALA 533 HB3 ALA 533 5.292 0.136 3.060 774 H THR 534 H THR 534 7.890 1.608 2.176 775 HA THR 534 HA THR 534 7.734 1.521 -0.783 776 HB THR 534 HB THR 534 10.126 2.299 0.913 777 HG1 THR 534 HG1 THR 534 8.651 3.989 0.919 778 HG21 THR 534 HG21 THR 534 9.750 2.323 -2.090 779 HG22 THR 534 HG22 THR 534 10.787 1.220 -1.185 780 HG23 THR 534 HG23 THR 534 11.156 2.943 -1.227 781 H PHE 535 H PHE 535 8.312 -0.351 -1.758 782 HA PHE 535 HA PHE 535 10.080 -2.237 -0.346 783 HB2 PHE 535 HB2 PHE 535 7.710 -2.873 0.107 784 HB3 PHE 535 HB3 PHE 535 7.448 -3.040 -1.624 785 HD1 PHE 535 HD1 PHE 535 9.233 -4.437 1.286 786 HD2 PHE 535 HD2 PHE 535 8.141 -5.006 -2.794 787 HE1 PHE 535 HE1 PHE 535 9.968 -6.781 1.419 788 HE2 PHE 535 HE2 PHE 535 8.875 -7.351 -2.665 789 HZ PHE 535 HZ PHE 535 9.791 -8.241 -0.558 790 H ASP 536 H ASP 536 11.618 -3.057 -1.647 791 HA ASP 536 HA ASP 536 11.451 -2.565 -4.535 792 HB2 ASP 536 HB2 ASP 536 13.772 -3.429 -2.791 793 HB3 ASP 536 HB3 ASP 536 13.875 -3.180 -4.530 794 H VAL 537 H VAL 537 11.360 -4.157 -6.060 795 HA VAL 537 HA VAL 537 11.540 -6.979 -5.167 796 HB VAL 537 HB VAL 537 9.725 -5.884 -7.344 797 HG11 VAL 537 HG11 VAL 537 10.015 -8.671 -6.211 798 HG12 VAL 537 HG12 VAL 537 10.422 -8.143 -7.844 799 HG13 VAL 537 HG13 VAL 537 8.740 -8.160 -7.317 800 HG21 VAL 537 HG21 VAL 537 7.865 -6.376 -5.847 801 HG22 VAL 537 HG22 VAL 537 8.966 -5.215 -5.104 802 HG23 VAL 537 HG23 VAL 537 8.988 -6.904 -4.593 803 H SER 538 H SER 538 12.686 -8.385 -6.480 804 HA SER 538 HA SER 538 14.120 -7.196 -8.780 805 HB2 SER 538 HB2 SER 538 15.614 -7.792 -6.931 806 HB3 SER 538 HB3 SER 538 14.985 -9.438 -6.928 807 HG SER 538 HG SER 538 16.811 -9.556 -8.107 808 H VAL 539 H VAL 539 13.373 -7.899 -10.684 809 HA VAL 539 HA VAL 539 12.139 -10.560 -10.873 810 HB VAL 539 HB VAL 539 12.105 -8.330 -12.920 811 HG11 VAL 539 HG11 VAL 539 10.489 -10.879 -12.718 812 HG12 VAL 539 HG12 VAL 539 11.726 -10.509 -13.921 813 HG13 VAL 539 HG13 VAL 539 10.220 -9.595 -13.897 814 HG21 VAL 539 HG21 VAL 539 10.986 -7.614 -10.874 815 HG22 VAL 539 HG22 VAL 539 10.003 -9.080 -10.878 816 HG23 VAL 539 HG23 VAL 539 9.812 -7.884 -12.161 817 H VAL 540 H VAL 540 13.185 -12.202 -11.794 818 HA VAL 540 HA VAL 540 15.560 -11.634 -13.461 819 HB VAL 540 HB VAL 540 16.472 -13.809 -12.678 820 HG11 VAL 540 HG11 VAL 540 17.065 -13.062 -10.404 821 HG12 VAL 540 HG12 VAL 540 15.795 -11.841 -10.484 822 HG13 VAL 540 HG13 VAL 540 17.175 -11.752 -11.579 823 HG21 VAL 540 HG21 VAL 540 15.461 -14.914 -10.733 824 HG22 VAL 540 HG22 VAL 540 14.364 -14.916 -12.115 825 HG23 VAL 540 HG23 VAL 540 14.110 -13.780 -10.789 826 H LEU 541 H LEU 541 16.142 -13.364 -15.014 827 HA LEU 541 HA LEU 541 13.782 -14.218 -16.513 828 HB2 LEU 541 HB2 LEU 541 16.729 -14.225 -17.168 829 HB3 LEU 541 HB3 LEU 541 15.487 -14.798 -18.265 830 HG LEU 541 HG LEU 541 15.667 -11.962 -17.226 831 HD11 LEU 541 HD11 LEU 541 16.476 -11.374 -19.454 832 HD12 LEU 541 HD12 LEU 541 16.491 -13.077 -19.910 833 HD13 LEU 541 HD13 LEU 541 17.579 -12.491 -18.653 834 HD21 LEU 541 HD21 LEU 541 13.399 -12.659 -17.832 835 HD22 LEU 541 HD22 LEU 541 13.974 -13.173 -19.419 836 HD23 LEU 541 HD23 LEU 541 14.026 -11.468 -18.968 837 H GLU 542 H GLU 542 14.961 -15.623 -14.014 838 HA GLU 542 HA GLU 542 14.994 -18.340 -15.096 839 HB2 GLU 542 HB2 GLU 542 17.090 -18.808 -13.733 840 HB3 GLU 542 HB3 GLU 542 17.298 -17.837 -15.184 841 HG2 GLU 542 HG2 GLU 542 17.082 -15.808 -13.614 842 HG3 GLU 542 HG3 GLU 542 17.380 -16.964 -12.316 Start of MODEL 7 1 H1 MET 435 H1 MET 435 -10.377 16.882 21.342 2 H2 MET 435 H2 MET 435 -11.539 15.775 20.808 3 H3 MET 435 H3 MET 435 -11.916 17.423 20.891 4 HA MET 435 HA MET 435 -11.540 16.779 18.615 5 HB2 MET 435 HB2 MET 435 -10.721 19.031 19.636 6 HB3 MET 435 HB3 MET 435 -9.108 18.352 19.478 7 HG2 MET 435 HG2 MET 435 -11.068 18.813 17.235 8 HG3 MET 435 HG3 MET 435 -9.642 19.785 17.594 9 HE1 MET 435 HE1 MET 435 -10.329 18.509 14.736 10 HE2 MET 435 HE2 MET 435 -8.740 17.924 14.242 11 HE3 MET 435 HE3 MET 435 -8.895 19.495 15.027 12 H GLU 436 H GLU 436 -10.976 14.753 17.943 13 HA GLU 436 HA GLU 436 -8.372 13.656 18.739 14 HB2 GLU 436 HB2 GLU 436 -10.792 12.306 17.519 15 HB3 GLU 436 HB3 GLU 436 -9.291 11.488 17.925 16 HG2 GLU 436 HG2 GLU 436 -10.869 11.046 19.647 17 HG3 GLU 436 HG3 GLU 436 -9.644 12.129 20.299 18 H PHE 437 H PHE 437 -6.827 12.984 17.309 19 HA PHE 437 HA PHE 437 -7.272 13.595 14.455 20 HB2 PHE 437 HB2 PHE 437 -4.680 13.551 16.026 21 HB3 PHE 437 HB3 PHE 437 -4.805 13.846 14.296 22 HD1 PHE 437 HD1 PHE 437 -5.491 15.207 17.641 23 HD2 PHE 437 HD2 PHE 437 -5.532 15.975 13.451 24 HE1 PHE 437 HE1 PHE 437 -5.780 17.606 18.086 25 HE2 PHE 437 HE2 PHE 437 -5.823 18.376 13.892 26 HZ PHE 437 HZ PHE 437 -5.951 19.194 16.214 27 HA PRO 438 HA PRO 438 -6.780 9.187 13.862 28 HB2 PRO 438 HB2 PRO 438 -6.797 9.179 11.142 29 HB3 PRO 438 HB3 PRO 438 -8.254 9.380 12.118 30 HG2 PRO 438 HG2 PRO 438 -6.637 11.436 10.690 31 HG3 PRO 438 HG3 PRO 438 -8.391 11.326 10.883 32 HD2 PRO 438 HD2 PRO 438 -6.778 12.992 12.362 33 HD3 PRO 438 HD3 PRO 438 -8.353 12.386 12.910 34 H ASP 439 H ASP 439 -5.355 7.725 12.443 35 HA ASP 439 HA ASP 439 -2.789 8.816 11.670 36 HB2 ASP 439 HB2 ASP 439 -2.697 8.473 14.193 37 HB3 ASP 439 HB3 ASP 439 -2.863 6.749 13.886 38 H LEU 440 H LEU 440 -3.540 7.958 9.650 39 HA LEU 440 HA LEU 440 -4.006 5.096 9.412 40 HB2 LEU 440 HB2 LEU 440 -4.013 7.295 7.337 41 HB3 LEU 440 HB3 LEU 440 -4.437 5.624 7.022 42 HG LEU 440 HG LEU 440 -5.938 7.445 8.916 43 HD11 LEU 440 HD11 LEU 440 -7.667 7.521 7.194 44 HD12 LEU 440 HD12 LEU 440 -6.643 6.580 6.110 45 HD13 LEU 440 HD13 LEU 440 -6.152 8.201 6.602 46 HD21 LEU 440 HD21 LEU 440 -6.127 5.100 9.529 47 HD22 LEU 440 HD22 LEU 440 -6.573 4.681 7.874 48 HD23 LEU 440 HD23 LEU 440 -7.649 5.677 8.854 49 H THR 441 H THR 441 -2.723 3.643 8.349 50 HA THR 441 HA THR 441 -0.379 4.525 6.877 51 HB THR 441 HB THR 441 0.533 4.433 9.134 52 HG1 THR 441 HG1 THR 441 2.195 3.732 8.044 53 HG21 THR 441 HG21 THR 441 0.605 2.358 10.413 54 HG22 THR 441 HG22 THR 441 -0.350 1.547 9.171 55 HG23 THR 441 HG23 THR 441 -1.063 2.850 10.121 56 H VAL 442 H VAL 442 0.809 2.646 5.915 57 HA VAL 442 HA VAL 442 -0.944 0.329 5.431 58 HB VAL 442 HB VAL 442 -0.425 0.418 3.011 59 HG11 VAL 442 HG11 VAL 442 -1.929 2.245 2.423 60 HG12 VAL 442 HG12 VAL 442 -1.712 2.962 4.019 61 HG13 VAL 442 HG13 VAL 442 -2.518 1.403 3.857 62 HG21 VAL 442 HG21 VAL 442 1.673 1.662 3.100 63 HG22 VAL 442 HG22 VAL 442 0.817 3.105 3.648 64 HG23 VAL 442 HG23 VAL 442 0.529 2.466 2.030 65 H GLU 443 H GLU 443 0.125 -1.594 4.909 66 HA GLU 443 HA GLU 443 3.083 -1.552 5.031 67 HB2 GLU 443 HB2 GLU 443 1.208 -3.545 6.311 68 HB3 GLU 443 HB3 GLU 443 2.941 -3.750 6.221 69 HG2 GLU 443 HG2 GLU 443 3.283 -1.810 7.619 70 HG3 GLU 443 HG3 GLU 443 1.549 -1.486 7.636 71 H ILE 444 H ILE 444 4.098 -2.626 3.426 72 HA ILE 444 HA ILE 444 2.497 -4.284 1.600 73 HB ILE 444 HB ILE 444 5.279 -3.147 1.211 74 HG12 ILE 444 HG12 ILE 444 2.620 -2.264 0.041 75 HG13 ILE 444 HG13 ILE 444 3.524 -1.409 1.287 76 HG21 ILE 444 HG21 ILE 444 3.452 -4.594 -0.715 77 HG22 ILE 444 HG22 ILE 444 4.978 -5.192 -0.063 78 HG23 ILE 444 HG23 ILE 444 4.968 -3.806 -1.153 79 HD11 ILE 444 HD11 ILE 444 3.836 -0.362 -0.865 80 HD12 ILE 444 HD12 ILE 444 4.413 -1.882 -1.552 81 HD13 ILE 444 HD13 ILE 444 5.355 -1.062 -0.306 82 H LYS 445 H LYS 445 2.697 -6.431 1.604 83 HA LYS 445 HA LYS 445 5.051 -7.669 2.899 84 HB2 LYS 445 HB2 LYS 445 3.158 -7.706 4.438 85 HB3 LYS 445 HB3 LYS 445 2.123 -8.396 3.200 86 HG2 LYS 445 HG2 LYS 445 2.779 -10.069 4.819 87 HG3 LYS 445 HG3 LYS 445 3.438 -10.451 3.228 88 HD2 LYS 445 HD2 LYS 445 5.621 -9.646 3.887 89 HD3 LYS 445 HD3 LYS 445 4.985 -9.079 5.435 90 HE2 LYS 445 HE2 LYS 445 6.217 -11.251 5.557 91 HE3 LYS 445 HE3 LYS 445 4.564 -11.316 6.167 92 HZ1 LYS 445 HZ1 LYS 445 5.389 -12.178 3.448 93 HZ2 LYS 445 HZ2 LYS 445 3.850 -12.342 4.130 94 HZ3 LYS 445 HZ3 LYS 445 5.150 -13.221 4.754 95 H GLY 446 H GLY 446 5.997 -9.292 1.734 96 HA2 GLY 446 HA2 GLY 446 4.935 -11.283 0.243 97 HA3 GLY 446 HA3 GLY 446 4.890 -9.933 -0.877 98 HA PRO 447 HA PRO 447 9.027 -12.123 -1.214 99 HB2 PRO 447 HB2 PRO 447 8.908 -12.698 -3.857 100 HB3 PRO 447 HB3 PRO 447 8.178 -13.740 -2.629 101 HG2 PRO 447 HG2 PRO 447 6.875 -11.674 -4.374 102 HG3 PRO 447 HG3 PRO 447 6.321 -13.313 -3.981 103 HD2 PRO 447 HD2 PRO 447 5.355 -11.092 -2.739 104 HD3 PRO 447 HD3 PRO 447 5.474 -12.668 -1.930 105 H ASP 448 H ASP 448 10.857 -11.008 -1.628 106 HA ASP 448 HA ASP 448 10.670 -8.378 -2.844 107 HB2 ASP 448 HB2 ASP 448 13.025 -8.147 -2.065 108 HB3 ASP 448 HB3 ASP 448 11.906 -8.589 -0.780 109 H VAL 449 H VAL 449 11.593 -11.510 -3.884 110 HA VAL 449 HA VAL 449 12.634 -10.363 -6.397 111 HB VAL 449 HB VAL 449 13.693 -12.854 -5.026 112 HG11 VAL 449 HG11 VAL 449 13.619 -13.143 -7.453 113 HG12 VAL 449 HG12 VAL 449 15.282 -12.997 -6.888 114 HG13 VAL 449 HG13 VAL 449 14.494 -11.627 -7.672 115 HG21 VAL 449 HG21 VAL 449 15.812 -11.624 -4.880 116 HG22 VAL 449 HG22 VAL 449 14.525 -10.794 -4.006 117 HG23 VAL 449 HG23 VAL 449 15.039 -10.205 -5.586 118 H VAL 450 H VAL 450 11.660 -11.123 -8.211 119 HA VAL 450 HA VAL 450 10.114 -13.627 -8.072 120 HB VAL 450 HB VAL 450 8.228 -12.605 -9.283 121 HG11 VAL 450 HG11 VAL 450 8.096 -12.792 -6.862 122 HG12 VAL 450 HG12 VAL 450 7.287 -11.321 -7.405 123 HG13 VAL 450 HG13 VAL 450 8.891 -11.228 -6.675 124 HG21 VAL 450 HG21 VAL 450 9.699 -10.001 -8.835 125 HG22 VAL 450 HG22 VAL 450 8.046 -10.148 -9.434 126 HG23 VAL 450 HG23 VAL 450 9.389 -10.776 -10.388 127 H GLY 451 H GLY 451 9.610 -14.575 -10.153 128 HA2 GLY 451 HA2 GLY 451 11.706 -14.072 -12.125 129 HA3 GLY 451 HA3 GLY 451 10.613 -15.446 -12.089 130 H VAL 452 H VAL 452 11.246 -13.958 -14.418 131 HA VAL 452 HA VAL 452 9.279 -12.019 -15.031 132 HB VAL 452 HB VAL 452 11.446 -12.286 -16.251 133 HG11 VAL 452 HG11 VAL 452 10.066 -14.637 -17.549 134 HG12 VAL 452 HG12 VAL 452 11.494 -14.690 -16.514 135 HG13 VAL 452 HG13 VAL 452 11.579 -13.913 -18.096 136 HG21 VAL 452 HG21 VAL 452 10.540 -11.709 -18.472 137 HG22 VAL 452 HG22 VAL 452 9.693 -10.879 -17.167 138 HG23 VAL 452 HG23 VAL 452 8.950 -12.270 -17.955 139 H ASN 453 H ASN 453 7.282 -12.160 -15.871 140 HA ASN 453 HA ASN 453 5.260 -12.952 -16.474 141 HB2 ASN 453 HB2 ASN 453 6.770 -15.347 -17.538 142 HB3 ASN 453 HB3 ASN 453 5.104 -14.925 -17.921 143 HD21 ASN 453 HD21 ASN 453 8.400 -14.340 -18.589 144 HD22 ASN 453 HD22 ASN 453 8.169 -13.181 -19.847 145 H LYS 454 H LYS 454 6.840 -14.064 -13.943 146 HA LYS 454 HA LYS 454 5.161 -16.360 -13.312 147 HB2 LYS 454 HB2 LYS 454 7.299 -14.941 -11.710 148 HB3 LYS 454 HB3 LYS 454 6.421 -16.357 -11.149 149 HG2 LYS 454 HG2 LYS 454 8.197 -16.240 -13.586 150 HG3 LYS 454 HG3 LYS 454 8.630 -16.934 -12.023 151 HD2 LYS 454 HD2 LYS 454 6.422 -17.906 -13.853 152 HD3 LYS 454 HD3 LYS 454 7.987 -18.682 -13.607 153 HE2 LYS 454 HE2 LYS 454 7.412 -18.971 -11.208 154 HE3 LYS 454 HE3 LYS 454 5.815 -18.300 -11.542 155 HZ1 LYS 454 HZ1 LYS 454 5.435 -20.138 -13.094 156 HZ2 LYS 454 HZ2 LYS 454 5.746 -20.698 -11.531 157 HZ3 LYS 454 HZ3 LYS 454 6.950 -20.790 -12.710 158 H LEU 455 H LEU 455 3.977 -16.427 -11.221 159 HA LEU 455 HA LEU 455 2.492 -13.917 -10.855 160 HB2 LEU 455 HB2 LEU 455 1.296 -16.044 -11.478 161 HB3 LEU 455 HB3 LEU 455 1.746 -16.689 -9.911 162 HG LEU 455 HG LEU 455 0.481 -14.813 -8.833 163 HD11 LEU 455 HD11 LEU 455 -1.114 -13.556 -10.225 164 HD12 LEU 455 HD12 LEU 455 -0.384 -14.259 -11.670 165 HD13 LEU 455 HD13 LEU 455 0.566 -13.199 -10.627 166 HD21 LEU 455 HD21 LEU 455 -1.096 -16.594 -10.699 167 HD22 LEU 455 HD22 LEU 455 -1.749 -15.737 -9.300 168 HD23 LEU 455 HD23 LEU 455 -0.544 -17.005 -9.075 169 H ALA 456 H ALA 456 2.911 -12.711 -9.105 170 HA ALA 456 HA ALA 456 3.864 -14.055 -6.642 171 HB1 ALA 456 HB1 ALA 456 4.548 -11.271 -7.601 172 HB2 ALA 456 HB2 ALA 456 5.610 -12.678 -7.675 173 HB3 ALA 456 HB3 ALA 456 5.117 -12.026 -6.111 174 H GLU 457 H GLU 457 2.731 -13.710 -4.795 175 HA GLU 457 HA GLU 457 0.453 -11.847 -4.932 176 HB2 GLU 457 HB2 GLU 457 0.942 -14.337 -3.315 177 HB3 GLU 457 HB3 GLU 457 -0.297 -13.179 -2.845 178 HG2 GLU 457 HG2 GLU 457 -1.362 -13.446 -5.036 179 HG3 GLU 457 HG3 GLU 457 -0.145 -14.646 -5.476 180 H TYR 458 H TYR 458 0.374 -10.088 -3.734 181 HA TYR 458 HA TYR 458 2.190 -9.823 -1.417 182 HB2 TYR 458 HB2 TYR 458 1.347 -7.683 -3.392 183 HB3 TYR 458 HB3 TYR 458 2.261 -7.378 -1.919 184 HD1 TYR 458 HD1 TYR 458 2.401 -9.054 -5.232 185 HD2 TYR 458 HD2 TYR 458 4.616 -7.685 -1.859 186 HE1 TYR 458 HE1 TYR 458 4.497 -9.428 -6.462 187 HE2 TYR 458 HE2 TYR 458 6.716 -8.058 -3.080 188 HH TYR 458 HH TYR 458 7.582 -9.288 -4.916 189 H GLU 459 H GLU 459 1.416 -8.514 0.328 190 HA GLU 459 HA GLU 459 -1.524 -8.234 0.446 191 HB2 GLU 459 HB2 GLU 459 0.374 -8.957 2.696 192 HB3 GLU 459 HB3 GLU 459 -1.366 -8.752 2.852 193 HG2 GLU 459 HG2 GLU 459 -1.734 -10.669 1.393 194 HG3 GLU 459 HG3 GLU 459 0.008 -10.861 1.190 195 H VAL 460 H VAL 460 -2.209 -6.202 0.802 196 HA VAL 460 HA VAL 460 -0.386 -4.246 2.024 197 HB VAL 460 HB VAL 460 -3.045 -3.753 0.661 198 HG11 VAL 460 HG11 VAL 460 -2.469 -2.006 2.255 199 HG12 VAL 460 HG12 VAL 460 -2.322 -1.401 0.605 200 HG13 VAL 460 HG13 VAL 460 -0.876 -1.831 1.518 201 HG21 VAL 460 HG21 VAL 460 -1.727 -2.924 -1.242 202 HG22 VAL 460 HG22 VAL 460 -1.446 -4.639 -0.940 203 HG23 VAL 460 HG23 VAL 460 -0.246 -3.445 -0.435 204 H HIS 461 H HIS 461 -0.574 -4.112 4.185 205 HA HIS 461 HA HIS 461 -3.157 -4.584 5.486 206 HB2 HIS 461 HB2 HIS 461 -0.370 -4.179 6.562 207 HB3 HIS 461 HB3 HIS 461 -1.771 -4.238 7.608 208 HD1 HIS 461 HD1 HIS 461 -2.360 -6.486 8.458 209 HD2 HIS 461 HD2 HIS 461 -0.090 -6.704 4.979 210 HE1 HIS 461 HE1 HIS 461 -1.894 -8.922 8.111 211 HE2 HIS 461 HE2 HIS 461 -0.439 -9.032 6.073 212 H VAL 462 H VAL 462 -4.505 -2.890 5.546 213 HA VAL 462 HA VAL 462 -3.393 -0.186 5.890 214 HB VAL 462 HB VAL 462 -5.489 0.686 5.007 215 HG11 VAL 462 HG11 VAL 462 -3.717 0.097 3.423 216 HG12 VAL 462 HG12 VAL 462 -5.311 -0.114 2.705 217 HG13 VAL 462 HG13 VAL 462 -4.398 -1.520 3.252 218 HG21 VAL 462 HG21 VAL 462 -7.243 -0.789 4.110 219 HG22 VAL 462 HG22 VAL 462 -7.046 -1.008 5.849 220 HG23 VAL 462 HG23 VAL 462 -6.377 -2.195 4.730 221 H LYS 463 H LYS 463 -3.690 0.825 7.786 222 HA LYS 463 HA LYS 463 -5.718 -0.188 9.653 223 HB2 LYS 463 HB2 LYS 463 -3.873 -0.217 11.434 224 HB3 LYS 463 HB3 LYS 463 -3.941 -1.552 10.290 225 HG2 LYS 463 HG2 LYS 463 -2.096 -0.747 9.070 226 HG3 LYS 463 HG3 LYS 463 -2.167 0.829 9.850 227 HD2 LYS 463 HD2 LYS 463 -0.320 -0.430 10.762 228 HD3 LYS 463 HD3 LYS 463 -1.572 -0.246 11.991 229 HE2 LYS 463 HE2 LYS 463 -2.300 -2.495 11.707 230 HE3 LYS 463 HE3 LYS 463 -1.321 -2.690 10.257 231 HZ1 LYS 463 HZ1 LYS 463 0.662 -2.582 11.554 232 HZ2 LYS 463 HZ2 LYS 463 -0.354 -3.744 12.244 233 HZ3 LYS 463 HZ3 LYS 463 -0.206 -2.221 12.964 234 H ASN 464 H ASN 464 -6.431 1.211 11.170 235 HA ASN 464 HA ASN 464 -5.423 3.978 11.105 236 HB2 ASN 464 HB2 ASN 464 -7.863 3.529 10.702 237 HB3 ASN 464 HB3 ASN 464 -7.974 2.875 12.330 238 HD21 ASN 464 HD21 ASN 464 -9.385 5.091 11.164 239 HD22 ASN 464 HD22 ASN 464 -9.020 6.474 12.132 240 H LEU 465 H LEU 465 -4.294 4.753 12.838 241 HA LEU 465 HA LEU 465 -4.199 3.070 15.270 242 HB2 LEU 465 HB2 LEU 465 -1.989 4.806 14.154 243 HB3 LEU 465 HB3 LEU 465 -1.876 3.730 15.535 244 HG LEU 465 HG LEU 465 -2.321 2.854 12.671 245 HD11 LEU 465 HD11 LEU 465 -0.077 3.723 13.005 246 HD12 LEU 465 HD12 LEU 465 -0.043 1.973 12.798 247 HD13 LEU 465 HD13 LEU 465 0.140 2.675 14.407 248 HD21 LEU 465 HD21 LEU 465 -1.867 1.217 15.172 249 HD22 LEU 465 HD22 LEU 465 -1.946 0.582 13.526 250 HD23 LEU 465 HD23 LEU 465 -3.370 1.326 14.255 251 H GLY 466 H GLY 466 -5.336 5.966 14.186 252 HA2 GLY 466 HA2 GLY 466 -4.483 7.685 16.348 253 HA3 GLY 466 HA3 GLY 466 -5.674 8.067 15.119 254 H GLY 467 H GLY 467 -7.098 5.463 15.905 255 HA2 GLY 467 HA2 GLY 467 -8.565 4.710 17.575 256 HA3 GLY 467 HA3 GLY 467 -8.100 6.075 18.576 257 H ILE 468 H ILE 468 -9.024 6.803 15.342 258 HA ILE 468 HA ILE 468 -11.803 7.386 16.116 259 HB ILE 468 HB ILE 468 -10.863 9.506 16.441 260 HG12 ILE 468 HG12 ILE 468 -11.735 9.564 13.535 261 HG13 ILE 468 HG13 ILE 468 -12.839 9.552 14.912 262 HG21 ILE 468 HG21 ILE 468 -9.257 10.578 14.925 263 HG22 ILE 468 HG22 ILE 468 -9.252 9.132 13.918 264 HG23 ILE 468 HG23 ILE 468 -8.646 9.055 15.571 265 HD11 ILE 468 HD11 ILE 468 -10.829 11.697 14.257 266 HD12 ILE 468 HD12 ILE 468 -11.913 11.695 15.648 267 HD13 ILE 468 HD13 ILE 468 -12.574 11.785 14.015 268 H GLY 469 H GLY 469 -13.298 6.961 14.552 269 HA2 GLY 469 HA2 GLY 469 -12.585 5.324 12.373 270 HA3 GLY 469 HA3 GLY 469 -14.170 6.021 12.647 271 H VAL 470 H VAL 470 -12.084 5.697 10.296 272 HA VAL 470 HA VAL 470 -12.495 8.408 9.204 273 HB VAL 470 HB VAL 470 -10.062 6.662 8.752 274 HG11 VAL 470 HG11 VAL 470 -10.675 9.455 7.764 275 HG12 VAL 470 HG12 VAL 470 -10.586 7.994 6.781 276 HG13 VAL 470 HG13 VAL 470 -9.136 8.613 7.570 277 HG21 VAL 470 HG21 VAL 470 -10.359 9.214 10.344 278 HG22 VAL 470 HG22 VAL 470 -8.836 8.393 10.000 279 HG23 VAL 470 HG23 VAL 470 -10.058 7.602 10.994 280 HA PRO 471 HA PRO 471 -14.238 5.931 5.786 281 HB2 PRO 471 HB2 PRO 471 -15.817 7.867 4.806 282 HB3 PRO 471 HB3 PRO 471 -16.254 6.984 6.274 283 HG2 PRO 471 HG2 PRO 471 -15.042 9.707 5.989 284 HG3 PRO 471 HG3 PRO 471 -16.319 9.162 7.090 285 HD2 PRO 471 HD2 PRO 471 -13.672 9.450 7.805 286 HD3 PRO 471 HD3 PRO 471 -14.817 8.373 8.628 287 H SER 472 H SER 472 -12.239 8.654 5.911 288 HA SER 472 HA SER 472 -12.165 9.318 3.108 289 HB2 SER 472 HB2 SER 472 -10.394 10.224 5.393 290 HB3 SER 472 HB3 SER 472 -10.405 10.920 3.774 291 HG SER 472 HG SER 472 -11.794 12.207 4.762 292 H THR 473 H THR 473 -11.173 6.553 4.196 293 HA THR 473 HA THR 473 -8.293 6.726 3.783 294 HB THR 473 HB THR 473 -9.959 4.312 4.547 295 HG1 THR 473 HG1 THR 473 -8.409 5.444 6.504 296 HG21 THR 473 HG21 THR 473 -7.749 3.734 3.639 297 HG22 THR 473 HG22 THR 473 -7.847 3.381 5.364 298 HG23 THR 473 HG23 THR 473 -6.987 4.814 4.806 299 H LYS 474 H LYS 474 -8.051 7.002 1.592 300 HA LYS 474 HA LYS 474 -8.804 4.747 -0.162 301 HB2 LYS 474 HB2 LYS 474 -8.010 7.590 -0.862 302 HB3 LYS 474 HB3 LYS 474 -8.417 6.333 -2.028 303 HG2 LYS 474 HG2 LYS 474 -10.680 6.282 -1.345 304 HG3 LYS 474 HG3 LYS 474 -10.338 7.215 0.112 305 HD2 LYS 474 HD2 LYS 474 -9.812 9.179 -1.268 306 HD3 LYS 474 HD3 LYS 474 -10.147 8.243 -2.728 307 HE2 LYS 474 HE2 LYS 474 -12.458 8.012 -2.133 308 HE3 LYS 474 HE3 LYS 474 -12.169 8.702 -0.536 309 HZ1 LYS 474 HZ1 LYS 474 -13.198 10.277 -2.082 310 HZ2 LYS 474 HZ2 LYS 474 -11.846 10.180 -3.092 311 HZ3 LYS 474 HZ3 LYS 474 -11.699 10.819 -1.532 312 H VAL 475 H VAL 475 -7.214 3.414 -0.837 313 HA VAL 475 HA VAL 475 -4.400 4.219 -0.368 314 HB VAL 475 HB VAL 475 -5.611 1.446 -0.223 315 HG11 VAL 475 HG11 VAL 475 -2.792 2.364 0.371 316 HG12 VAL 475 HG12 VAL 475 -3.297 1.380 -1.003 317 HG13 VAL 475 HG13 VAL 475 -3.424 0.738 0.634 318 HG21 VAL 475 HG21 VAL 475 -4.597 3.244 1.987 319 HG22 VAL 475 HG22 VAL 475 -5.188 1.594 2.184 320 HG23 VAL 475 HG23 VAL 475 -6.288 2.867 1.655 321 H ARG 476 H ARG 476 -3.039 4.186 -2.071 322 HA ARG 476 HA ARG 476 -3.863 2.712 -4.503 323 HB2 ARG 476 HB2 ARG 476 -2.281 5.291 -4.377 324 HB3 ARG 476 HB3 ARG 476 -2.739 4.430 -5.841 325 HG2 ARG 476 HG2 ARG 476 -5.122 4.821 -5.281 326 HG3 ARG 476 HG3 ARG 476 -4.606 5.763 -3.881 327 HD2 ARG 476 HD2 ARG 476 -3.370 7.276 -5.437 328 HD3 ARG 476 HD3 ARG 476 -4.067 6.383 -6.788 329 HE ARG 476 HE ARG 476 -6.281 7.092 -5.572 330 HH11 ARG 476 HH11 ARG 476 -3.451 8.962 -6.166 331 HH12 ARG 476 HH12 ARG 476 -4.290 10.471 -6.099 332 HH21 ARG 476 HH21 ARG 476 -7.355 9.026 -5.478 333 HH22 ARG 476 HH22 ARG 476 -6.491 10.510 -5.684 334 H VAL 477 H VAL 477 -2.211 1.743 -5.765 335 HA VAL 477 HA VAL 477 0.376 1.358 -4.375 336 HB VAL 477 HB VAL 477 -1.189 -0.668 -6.005 337 HG11 VAL 477 HG11 VAL 477 1.209 -0.909 -6.410 338 HG12 VAL 477 HG12 VAL 477 0.608 -2.250 -5.433 339 HG13 VAL 477 HG13 VAL 477 1.514 -0.942 -4.671 340 HG21 VAL 477 HG21 VAL 477 -0.493 -0.579 -3.062 341 HG22 VAL 477 HG22 VAL 477 -1.281 -1.928 -3.883 342 HG23 VAL 477 HG23 VAL 477 -2.096 -0.367 -3.768 343 H TYR 478 H TYR 478 2.090 2.050 -5.489 344 HA TYR 478 HA TYR 478 1.903 2.311 -8.432 345 HB2 TYR 478 HB2 TYR 478 3.616 3.938 -6.534 346 HB3 TYR 478 HB3 TYR 478 3.472 4.176 -8.272 347 HD1 TYR 478 HD1 TYR 478 1.490 5.243 -9.222 348 HD2 TYR 478 HD2 TYR 478 1.856 4.666 -5.017 349 HE1 TYR 478 HE1 TYR 478 -0.341 6.843 -8.845 350 HE2 TYR 478 HE2 TYR 478 0.024 6.258 -4.632 351 HH TYR 478 HH TYR 478 -1.024 8.154 -5.787 352 H ILE 479 H ILE 479 3.437 1.342 -9.657 353 HA ILE 479 HA ILE 479 5.806 0.165 -8.344 354 HB ILE 479 HB ILE 479 4.575 -0.614 -11.003 355 HG12 ILE 479 HG12 ILE 479 4.391 -2.008 -8.311 356 HG13 ILE 479 HG13 ILE 479 3.075 -1.161 -9.114 357 HG21 ILE 479 HG21 ILE 479 6.958 -1.082 -10.901 358 HG22 ILE 479 HG22 ILE 479 6.050 -2.589 -10.820 359 HG23 ILE 479 HG23 ILE 479 6.757 -1.908 -9.355 360 HD11 ILE 479 HD11 ILE 479 4.460 -3.630 -10.138 361 HD12 ILE 479 HD12 ILE 479 3.125 -2.790 -10.927 362 HD13 ILE 479 HD13 ILE 479 2.879 -3.569 -9.363 363 H ASN 480 H ASN 480 7.531 1.487 -8.603 364 HA ASN 480 HA ASN 480 8.966 3.047 -9.443 365 HB2 ASN 480 HB2 ASN 480 8.237 1.623 -12.013 366 HB3 ASN 480 HB3 ASN 480 9.481 2.864 -11.923 367 HD21 ASN 480 HD21 ASN 480 9.880 0.204 -12.739 368 HD22 ASN 480 HD22 ASN 480 10.980 -0.521 -11.622 369 H GLY 481 H GLY 481 6.268 3.916 -9.055 370 HA2 GLY 481 HA2 GLY 481 5.283 6.020 -9.320 371 HA3 GLY 481 HA3 GLY 481 6.304 6.309 -10.717 372 H THR 482 H THR 482 4.954 3.328 -11.186 373 HA THR 482 HA THR 482 2.811 4.457 -12.874 374 HB THR 482 HB THR 482 4.060 1.696 -13.010 375 HG1 THR 482 HG1 THR 482 5.622 3.086 -13.691 376 HG21 THR 482 HG21 THR 482 2.970 1.543 -15.196 377 HG22 THR 482 HG22 THR 482 2.264 3.145 -14.974 378 HG23 THR 482 HG23 THR 482 1.768 1.810 -13.934 379 H LEU 483 H LEU 483 0.754 4.241 -12.203 380 HA LEU 483 HA LEU 483 0.076 2.949 -9.793 381 HB2 LEU 483 HB2 LEU 483 -1.145 4.879 -10.653 382 HB3 LEU 483 HB3 LEU 483 -1.712 3.935 -12.019 383 HG LEU 483 HG LEU 483 -2.962 2.464 -10.439 384 HD11 LEU 483 HD11 LEU 483 -2.132 4.497 -8.366 385 HD12 LEU 483 HD12 LEU 483 -1.597 2.819 -8.446 386 HD13 LEU 483 HD13 LEU 483 -3.292 3.188 -8.130 387 HD21 LEU 483 HD21 LEU 483 -3.623 5.407 -10.278 388 HD22 LEU 483 HD22 LEU 483 -4.738 4.080 -9.942 389 HD23 LEU 483 HD23 LEU 483 -4.093 4.300 -11.569 390 H TYR 484 H TYR 484 -0.201 0.851 -9.396 391 HA TYR 484 HA TYR 484 -0.830 -1.032 -11.529 392 HB2 TYR 484 HB2 TYR 484 0.853 -1.756 -9.979 393 HB3 TYR 484 HB3 TYR 484 -0.162 -1.374 -8.594 394 HD1 TYR 484 HD1 TYR 484 0.349 -3.764 -11.377 395 HD2 TYR 484 HD2 TYR 484 -1.806 -2.932 -7.799 396 HE1 TYR 484 HE1 TYR 484 -0.486 -6.078 -11.342 397 HE2 TYR 484 HE2 TYR 484 -2.646 -5.239 -7.760 398 HH TYR 484 HH TYR 484 -1.379 -7.698 -9.761 399 H LYS 485 H LYS 485 -2.310 0.090 -8.482 400 HA LYS 485 HA LYS 485 -4.955 -0.159 -9.457 401 HB2 LYS 485 HB2 LYS 485 -4.510 -2.563 -9.226 402 HB3 LYS 485 HB3 LYS 485 -4.065 -2.339 -7.543 403 HG2 LYS 485 HG2 LYS 485 -6.255 -2.000 -6.865 404 HG3 LYS 485 HG3 LYS 485 -6.789 -1.527 -8.478 405 HD2 LYS 485 HD2 LYS 485 -7.609 -3.767 -7.769 406 HD3 LYS 485 HD3 LYS 485 -6.663 -3.798 -9.255 407 HE2 LYS 485 HE2 LYS 485 -4.726 -4.615 -8.040 408 HE3 LYS 485 HE3 LYS 485 -5.598 -4.486 -6.514 409 HZ1 LYS 485 HZ1 LYS 485 -5.562 -6.761 -7.367 410 HZ2 LYS 485 HZ2 LYS 485 -6.358 -6.258 -8.770 411 HZ3 LYS 485 HZ3 LYS 485 -7.139 -6.163 -7.275 412 H ASN 486 H ASN 486 -6.604 0.327 -7.746 413 HA ASN 486 HA ASN 486 -5.489 1.471 -5.285 414 HB2 ASN 486 HB2 ASN 486 -6.788 3.553 -5.590 415 HB3 ASN 486 HB3 ASN 486 -5.575 3.337 -6.848 416 HD21 ASN 486 HD21 ASN 486 -6.248 2.871 -8.954 417 HD22 ASN 486 HD22 ASN 486 -7.878 3.120 -9.467 418 H TRP 487 H TRP 487 -6.975 1.703 -3.569 419 HA TRP 487 HA TRP 487 -9.602 0.402 -3.904 420 HB2 TRP 487 HB2 TRP 487 -7.625 -0.068 -1.653 421 HB3 TRP 487 HB3 TRP 487 -9.282 -0.656 -1.663 422 HD1 TRP 487 HD1 TRP 487 -9.854 -2.568 -3.572 423 HE1 TRP 487 HE1 TRP 487 -8.335 -4.413 -4.524 424 HE3 TRP 487 HE3 TRP 487 -5.299 -0.613 -2.304 425 HZ2 TRP 487 HZ2 TRP 487 -5.582 -4.964 -4.718 426 HZ3 TRP 487 HZ3 TRP 487 -3.269 -1.864 -2.918 427 HH2 TRP 487 HH2 TRP 487 -3.411 -3.997 -4.103 428 H THR 488 H THR 488 -11.269 1.169 -2.567 429 HA THR 488 HA THR 488 -10.624 3.470 -0.812 430 HB THR 488 HB THR 488 -13.222 3.000 -2.314 431 HG1 THR 488 HG1 THR 488 -10.891 4.344 -2.962 432 HG21 THR 488 HG21 THR 488 -12.313 5.335 -0.615 433 HG22 THR 488 HG22 THR 488 -13.567 4.169 -0.191 434 HG23 THR 488 HG23 THR 488 -13.808 5.266 -1.549 435 H VAL 489 H VAL 489 -10.943 3.032 1.300 436 HA VAL 489 HA VAL 489 -13.089 1.192 2.107 437 HB VAL 489 HB VAL 489 -11.597 0.019 3.695 438 HG11 VAL 489 HG11 VAL 489 -12.048 -1.027 1.545 439 HG12 VAL 489 HG12 VAL 489 -10.399 -1.378 2.061 440 HG13 VAL 489 HG13 VAL 489 -10.693 -0.165 0.816 441 HG21 VAL 489 HG21 VAL 489 -9.372 1.525 2.306 442 HG22 VAL 489 HG22 VAL 489 -9.149 0.210 3.461 443 HG23 VAL 489 HG23 VAL 489 -9.884 1.726 3.981 444 H SER 490 H SER 490 -13.264 1.145 4.584 445 HA SER 490 HA SER 490 -12.609 3.794 5.736 446 HB2 SER 490 HB2 SER 490 -14.686 3.736 7.009 447 HB3 SER 490 HB3 SER 490 -15.059 3.523 5.298 448 HG SER 490 HG SER 490 -14.832 1.126 5.988 449 H LEU 491 H LEU 491 -11.558 3.779 7.658 450 HA LEU 491 HA LEU 491 -11.246 1.170 9.028 451 HB2 LEU 491 HB2 LEU 491 -9.263 3.437 8.742 452 HB3 LEU 491 HB3 LEU 491 -9.014 2.030 9.759 453 HG LEU 491 HG LEU 491 -9.360 1.934 6.756 454 HD11 LEU 491 HD11 LEU 491 -7.278 3.043 7.354 455 HD12 LEU 491 HD12 LEU 491 -6.964 1.442 6.686 456 HD13 LEU 491 HD13 LEU 491 -6.859 1.706 8.427 457 HD21 LEU 491 HD21 LEU 491 -10.096 -0.111 7.856 458 HD22 LEU 491 HD22 LEU 491 -8.575 -0.200 8.746 459 HD23 LEU 491 HD23 LEU 491 -8.583 -0.383 6.992 460 H GLY 492 H GLY 492 -12.161 1.110 10.972 461 HA2 GLY 492 HA2 GLY 492 -12.996 3.511 12.335 462 HA3 GLY 492 HA3 GLY 492 -13.230 1.858 12.880 463 HA PRO 493 HA PRO 493 -10.096 4.049 15.640 464 HB2 PRO 493 HB2 PRO 493 -11.170 2.926 17.938 465 HB3 PRO 493 HB3 PRO 493 -11.578 4.524 17.310 466 HG2 PRO 493 HG2 PRO 493 -13.045 1.932 16.991 467 HG3 PRO 493 HG3 PRO 493 -13.690 3.559 17.290 468 HD2 PRO 493 HD2 PRO 493 -13.764 2.454 14.844 469 HD3 PRO 493 HD3 PRO 493 -13.462 4.193 15.058 470 H LYS 494 H LYS 494 -8.314 2.867 15.127 471 HA LYS 494 HA LYS 494 -6.646 1.354 15.422 472 HB2 LYS 494 HB2 LYS 494 -8.444 0.096 17.509 473 HB3 LYS 494 HB3 LYS 494 -6.728 -0.224 17.294 474 HG2 LYS 494 HG2 LYS 494 -7.907 2.455 18.043 475 HG3 LYS 494 HG3 LYS 494 -7.201 1.300 19.176 476 HD2 LYS 494 HD2 LYS 494 -5.042 1.486 18.013 477 HD3 LYS 494 HD3 LYS 494 -5.751 2.640 16.882 478 HE2 LYS 494 HE2 LYS 494 -4.454 3.750 18.655 479 HE3 LYS 494 HE3 LYS 494 -6.157 4.209 18.689 480 HZ1 LYS 494 HZ1 LYS 494 -4.932 2.146 20.438 481 HZ2 LYS 494 HZ2 LYS 494 -6.519 2.724 20.522 482 HZ3 LYS 494 HZ3 LYS 494 -5.224 3.745 20.903 483 H GLU 495 H GLU 495 -8.962 0.927 13.572 484 HA GLU 495 HA GLU 495 -9.256 -1.970 13.424 485 HB2 GLU 495 HB2 GLU 495 -11.194 -0.489 13.051 486 HB3 GLU 495 HB3 GLU 495 -10.382 0.218 11.663 487 HG2 GLU 495 HG2 GLU 495 -12.030 -1.373 10.923 488 HG3 GLU 495 HG3 GLU 495 -10.416 -1.972 10.541 489 H GLU 496 H GLU 496 -8.652 -3.251 11.624 490 HA GLU 496 HA GLU 496 -6.832 -2.033 9.646 491 HB2 GLU 496 HB2 GLU 496 -5.473 -3.118 11.425 492 HB3 GLU 496 HB3 GLU 496 -6.295 -4.639 11.100 493 HG2 GLU 496 HG2 GLU 496 -5.440 -4.371 8.693 494 HG3 GLU 496 HG3 GLU 496 -4.364 -3.141 9.350 495 H LYS 497 H LYS 497 -6.958 -2.887 7.587 496 HA LYS 497 HA LYS 497 -8.593 -5.318 7.171 497 HB2 LYS 497 HB2 LYS 497 -8.454 -2.983 5.242 498 HB3 LYS 497 HB3 LYS 497 -9.484 -4.399 5.117 499 HG2 LYS 497 HG2 LYS 497 -9.692 -2.254 7.226 500 HG3 LYS 497 HG3 LYS 497 -10.726 -2.407 5.808 501 HD2 LYS 497 HD2 LYS 497 -10.479 -4.447 8.028 502 HD3 LYS 497 HD3 LYS 497 -11.788 -3.278 7.856 503 HE2 LYS 497 HE2 LYS 497 -12.377 -4.292 5.684 504 HE3 LYS 497 HE3 LYS 497 -11.098 -5.487 5.914 505 HZ1 LYS 497 HZ1 LYS 497 -13.164 -6.439 6.576 506 HZ2 LYS 497 HZ2 LYS 497 -13.522 -5.133 7.590 507 HZ3 LYS 497 HZ3 LYS 497 -12.250 -6.176 7.974 508 H VAL 498 H VAL 498 -7.618 -6.893 5.922 509 HA VAL 498 HA VAL 498 -4.948 -6.249 4.855 510 HB VAL 498 HB VAL 498 -6.151 -8.990 5.308 511 HG11 VAL 498 HG11 VAL 498 -3.833 -9.781 5.118 512 HG12 VAL 498 HG12 VAL 498 -3.297 -8.135 4.778 513 HG13 VAL 498 HG13 VAL 498 -4.358 -8.969 3.643 514 HG21 VAL 498 HG21 VAL 498 -4.262 -7.419 7.070 515 HG22 VAL 498 HG22 VAL 498 -4.752 -9.095 7.324 516 HG23 VAL 498 HG23 VAL 498 -5.946 -7.801 7.429 517 H LEU 499 H LEU 499 -4.889 -5.754 2.766 518 HA LEU 499 HA LEU 499 -6.794 -6.961 0.882 519 HB2 LEU 499 HB2 LEU 499 -4.878 -4.652 0.466 520 HB3 LEU 499 HB3 LEU 499 -6.128 -5.176 -0.647 521 HG LEU 499 HG LEU 499 -6.658 -4.051 2.112 522 HD11 LEU 499 HD11 LEU 499 -7.440 -2.041 0.936 523 HD12 LEU 499 HD12 LEU 499 -6.883 -2.725 -0.592 524 HD13 LEU 499 HD13 LEU 499 -5.720 -2.333 0.675 525 HD21 LEU 499 HD21 LEU 499 -8.400 -5.581 1.340 526 HD22 LEU 499 HD22 LEU 499 -8.542 -4.676 -0.169 527 HD23 LEU 499 HD23 LEU 499 -8.982 -3.917 1.362 528 H THR 500 H THR 500 -6.089 -8.025 -1.009 529 HA THR 500 HA THR 500 -3.201 -8.666 -1.152 530 HB THR 500 HB THR 500 -3.952 -10.900 -2.185 531 HG1 THR 500 HG1 THR 500 -6.172 -11.150 -0.722 532 HG21 THR 500 HG21 THR 500 -2.871 -10.791 -0.023 533 HG22 THR 500 HG22 THR 500 -4.172 -11.979 0.014 534 HG23 THR 500 HG23 THR 500 -4.403 -10.396 0.760 535 H PHE 501 H PHE 501 -2.280 -8.888 -3.189 536 HA PHE 501 HA PHE 501 -3.995 -8.877 -5.535 537 HB2 PHE 501 HB2 PHE 501 -2.900 -6.990 -6.623 538 HB3 PHE 501 HB3 PHE 501 -3.638 -6.474 -5.116 539 HD1 PHE 501 HD1 PHE 501 -2.232 -5.868 -3.184 540 HD2 PHE 501 HD2 PHE 501 -0.516 -6.902 -6.948 541 HE1 PHE 501 HE1 PHE 501 -0.100 -4.848 -2.499 542 HE2 PHE 501 HE2 PHE 501 1.614 -5.885 -6.260 543 HZ PHE 501 HZ PHE 501 1.824 -4.856 -4.036 544 H SER 502 H SER 502 -3.017 -9.683 -7.397 545 HA SER 502 HA SER 502 -0.423 -11.021 -6.950 546 HB2 SER 502 HB2 SER 502 -1.185 -12.700 -8.593 547 HB3 SER 502 HB3 SER 502 -2.307 -12.569 -7.238 548 HG SER 502 HG SER 502 -3.252 -12.613 -9.417 549 H TRP 503 H TRP 503 1.239 -10.243 -8.083 550 HA TRP 503 HA TRP 503 0.679 -8.680 -10.518 551 HB2 TRP 503 HB2 TRP 503 1.734 -7.410 -8.711 552 HB3 TRP 503 HB3 TRP 503 3.058 -8.567 -8.647 553 HD1 TRP 503 HD1 TRP 503 1.533 -6.695 -11.705 554 HE1 TRP 503 HE1 TRP 503 3.450 -5.485 -12.925 555 HE3 TRP 503 HE3 TRP 503 5.382 -7.906 -8.563 556 HZ2 TRP 503 HZ2 TRP 503 6.221 -5.088 -12.593 557 HZ3 TRP 503 HZ3 TRP 503 7.637 -7.065 -9.085 558 HH2 TRP 503 HH2 TRP 503 8.047 -5.685 -11.059 559 H THR 504 H THR 504 1.564 -9.214 -12.440 560 HA THR 504 HA THR 504 3.553 -11.406 -12.524 561 HB THR 504 HB THR 504 1.323 -10.864 -14.510 562 HG1 THR 504 HG1 THR 504 1.704 -12.701 -12.429 563 HG21 THR 504 HG21 THR 504 2.120 -12.892 -15.671 564 HG22 THR 504 HG22 THR 504 3.496 -12.971 -14.570 565 HG23 THR 504 HG23 THR 504 3.334 -11.613 -15.683 566 HA PRO 505 HA PRO 505 5.654 -7.924 -14.581 567 HB2 PRO 505 HB2 PRO 505 8.157 -8.561 -13.859 568 HB3 PRO 505 HB3 PRO 505 7.015 -7.848 -12.713 569 HG2 PRO 505 HG2 PRO 505 7.844 -10.710 -13.025 570 HG3 PRO 505 HG3 PRO 505 7.581 -9.774 -11.542 571 HD2 PRO 505 HD2 PRO 505 5.737 -11.517 -12.641 572 HD3 PRO 505 HD3 PRO 505 5.329 -10.177 -11.551 573 H THR 506 H THR 506 5.369 -8.409 -16.750 574 HA THR 506 HA THR 506 6.602 -10.743 -17.949 575 HB THR 506 HB THR 506 5.596 -9.970 -20.051 576 HG1 THR 506 HG1 THR 506 4.544 -8.018 -20.176 577 HG21 THR 506 HG21 THR 506 3.226 -10.048 -19.368 578 HG22 THR 506 HG22 THR 506 3.709 -9.783 -17.693 579 HG23 THR 506 HG23 THR 506 4.191 -11.260 -18.526 580 H GLN 507 H GLN 507 7.977 -7.999 -16.967 581 HA GLN 507 HA GLN 507 10.058 -8.127 -19.032 582 HB2 GLN 507 HB2 GLN 507 8.618 -6.202 -19.590 583 HB3 GLN 507 HB3 GLN 507 8.861 -5.550 -17.976 584 HG2 GLN 507 HG2 GLN 507 10.244 -4.387 -19.586 585 HG3 GLN 507 HG3 GLN 507 11.247 -5.275 -18.442 586 HE21 GLN 507 HE21 GLN 507 10.102 -5.122 -21.726 587 HE22 GLN 507 HE22 GLN 507 11.260 -6.218 -22.386 588 H GLU 508 H GLU 508 12.046 -8.304 -18.139 589 HA GLU 508 HA GLU 508 12.313 -8.351 -15.291 590 HB2 GLU 508 HB2 GLU 508 14.716 -8.894 -15.760 591 HB3 GLU 508 HB3 GLU 508 13.548 -9.980 -16.491 592 HG2 GLU 508 HG2 GLU 508 15.225 -9.640 -18.102 593 HG3 GLU 508 HG3 GLU 508 13.842 -8.689 -18.634 594 H GLY 509 H GLY 509 13.762 -7.141 -13.977 595 HA2 GLY 509 HA2 GLY 509 15.389 -5.075 -14.428 596 HA3 GLY 509 HA3 GLY 509 13.834 -4.321 -14.747 597 H MET 510 H MET 510 14.736 -2.935 -12.924 598 HA MET 510 HA MET 510 14.212 -4.106 -10.281 599 HB2 MET 510 HB2 MET 510 16.316 -2.814 -10.643 600 HB3 MET 510 HB3 MET 510 15.346 -1.379 -10.951 601 HG2 MET 510 HG2 MET 510 16.199 -1.396 -8.676 602 HG3 MET 510 HG3 MET 510 14.437 -1.500 -8.690 603 HE1 MET 510 HE1 MET 510 15.294 -3.666 -5.564 604 HE2 MET 510 HE2 MET 510 14.285 -2.368 -6.205 605 HE3 MET 510 HE3 MET 510 16.033 -2.151 -6.088 606 H TYR 511 H TYR 511 12.237 -3.875 -9.409 607 HA TYR 511 HA TYR 511 10.615 -1.528 -10.183 608 HB2 TYR 511 HB2 TYR 511 9.676 -4.375 -9.758 609 HB3 TYR 511 HB3 TYR 511 8.607 -2.998 -9.996 610 HD1 TYR 511 HD1 TYR 511 11.091 -5.188 -11.618 611 HD2 TYR 511 HD2 TYR 511 8.275 -2.047 -12.186 612 HE1 TYR 511 HE1 TYR 511 11.238 -5.504 -14.049 613 HE2 TYR 511 HE2 TYR 511 8.419 -2.354 -14.622 614 HH TYR 511 HH TYR 511 9.925 -5.075 -16.037 615 H ARG 512 H ARG 512 10.423 -0.234 -8.463 616 HA ARG 512 HA ARG 512 10.238 -1.373 -5.772 617 HB2 ARG 512 HB2 ARG 512 11.791 0.458 -6.005 618 HB3 ARG 512 HB3 ARG 512 10.566 1.471 -6.758 619 HG2 ARG 512 HG2 ARG 512 9.365 1.682 -4.704 620 HG3 ARG 512 HG3 ARG 512 10.359 0.446 -3.931 621 HD2 ARG 512 HD2 ARG 512 11.432 3.079 -4.951 622 HD3 ARG 512 HD3 ARG 512 10.924 2.801 -3.285 623 HE ARG 512 HE ARG 512 12.791 0.832 -4.054 624 HH11 ARG 512 HH11 ARG 512 12.620 4.172 -3.180 625 HH12 ARG 512 HH12 ARG 512 14.269 4.214 -2.667 626 HH21 ARG 512 HH21 ARG 512 14.862 0.903 -3.369 627 HH22 ARG 512 HH22 ARG 512 15.525 2.386 -2.768 628 H ILE 513 H ILE 513 8.293 -1.871 -5.013 629 HA ILE 513 HA ILE 513 5.892 -0.567 -6.074 630 HB ILE 513 HB ILE 513 6.152 -2.977 -4.255 631 HG12 ILE 513 HG12 ILE 513 5.592 -2.796 -7.234 632 HG13 ILE 513 HG13 ILE 513 7.067 -3.406 -6.497 633 HG21 ILE 513 HG21 ILE 513 3.732 -1.867 -5.686 634 HG22 ILE 513 HG22 ILE 513 4.025 -1.820 -3.947 635 HG23 ILE 513 HG23 ILE 513 3.781 -3.367 -4.758 636 HD11 ILE 513 HD11 ILE 513 5.796 -5.251 -5.506 637 HD12 ILE 513 HD12 ILE 513 5.669 -5.221 -7.265 638 HD13 ILE 513 HD13 ILE 513 4.330 -4.639 -6.276 639 H ASN 514 H ASN 514 4.882 0.986 -4.971 640 HA ASN 514 HA ASN 514 5.320 1.232 -2.062 641 HB2 ASN 514 HB2 ASN 514 5.164 3.408 -4.156 642 HB3 ASN 514 HB3 ASN 514 5.021 3.727 -2.430 643 HD21 ASN 514 HD21 ASN 514 6.846 4.965 -2.342 644 HD22 ASN 514 HD22 ASN 514 8.437 4.318 -2.508 645 H ALA 515 H ALA 515 3.574 1.816 -0.785 646 HA ALA 515 HA ALA 515 0.962 2.107 -2.140 647 HB1 ALA 515 HB1 ALA 515 1.105 -0.079 -1.033 648 HB2 ALA 515 HB2 ALA 515 -0.113 0.952 -0.278 649 HB3 ALA 515 HB3 ALA 515 1.455 0.717 0.501 650 H THR 516 H THR 516 -0.336 3.751 -1.472 651 HA THR 516 HA THR 516 0.579 5.423 0.788 652 HB THR 516 HB THR 516 -0.088 7.438 -0.638 653 HG1 THR 516 HG1 THR 516 0.164 6.910 -2.969 654 HG21 THR 516 HG21 THR 516 2.059 7.524 -1.819 655 HG22 THR 516 HG22 THR 516 2.271 5.788 -1.579 656 HG23 THR 516 HG23 THR 516 2.267 6.877 -0.192 657 H VAL 517 H VAL 517 -1.006 6.345 2.036 658 HA VAL 517 HA VAL 517 -3.807 5.841 1.234 659 HB VAL 517 HB VAL 517 -3.187 4.632 3.259 660 HG11 VAL 517 HG11 VAL 517 -2.602 5.813 5.332 661 HG12 VAL 517 HG12 VAL 517 -2.546 7.336 4.441 662 HG13 VAL 517 HG13 VAL 517 -1.392 6.053 4.071 663 HG21 VAL 517 HG21 VAL 517 -5.485 5.448 3.043 664 HG22 VAL 517 HG22 VAL 517 -5.037 6.942 3.868 665 HG23 VAL 517 HG23 VAL 517 -4.975 5.404 4.731 666 H ASP 518 H ASP 518 -5.323 7.460 1.369 667 HA ASP 518 HA ASP 518 -6.128 9.545 1.047 668 HB2 ASP 518 HB2 ASP 518 -5.805 9.573 3.543 669 HB3 ASP 518 HB3 ASP 518 -4.272 10.403 3.284 670 H GLU 519 H GLU 519 -4.264 8.922 -0.792 671 HA GLU 519 HA GLU 519 -2.279 10.742 -1.384 672 HB2 GLU 519 HB2 GLU 519 -4.255 9.306 -3.143 673 HB3 GLU 519 HB3 GLU 519 -3.058 10.397 -3.827 674 HG2 GLU 519 HG2 GLU 519 -2.344 8.061 -2.070 675 HG3 GLU 519 HG3 GLU 519 -2.443 7.970 -3.828 676 H GLU 520 H GLU 520 -5.715 11.241 -1.380 677 HA GLU 520 HA GLU 520 -5.855 13.634 -2.880 678 HB2 GLU 520 HB2 GLU 520 -7.633 12.765 -0.585 679 HB3 GLU 520 HB3 GLU 520 -8.046 13.909 -1.856 680 HG2 GLU 520 HG2 GLU 520 -7.430 10.999 -2.339 681 HG3 GLU 520 HG3 GLU 520 -9.054 11.638 -2.109 682 H ASN 521 H ASN 521 -4.754 12.969 0.332 683 HA ASN 521 HA ASN 521 -4.019 14.220 2.067 684 HB2 ASN 521 HB2 ASN 521 -3.505 16.184 -0.179 685 HB3 ASN 521 HB3 ASN 521 -2.929 16.414 1.471 686 HD21 ASN 521 HD21 ASN 521 -2.586 14.554 -1.438 687 HD22 ASN 521 HD22 ASN 521 -1.101 13.791 -1.002 688 H THR 522 H THR 522 -6.269 14.196 2.807 689 HA THR 522 HA THR 522 -7.538 16.871 2.703 690 HB THR 522 HB THR 522 -9.711 15.795 2.965 691 HG1 THR 522 HG1 THR 522 -8.302 13.300 2.803 692 HG21 THR 522 HG21 THR 522 -8.853 16.111 0.678 693 HG22 THR 522 HG22 THR 522 -9.880 14.681 0.796 694 HG23 THR 522 HG23 THR 522 -8.127 14.504 0.735 695 H VAL 523 H VAL 523 -6.137 14.542 4.792 696 HA VAL 523 HA VAL 523 -7.389 15.887 7.114 697 HB VAL 523 HB VAL 523 -8.323 13.642 6.878 698 HG11 VAL 523 HG11 VAL 523 -6.485 12.541 5.721 699 HG12 VAL 523 HG12 VAL 523 -6.932 11.642 7.172 700 HG13 VAL 523 HG13 VAL 523 -5.485 12.651 7.171 701 HG21 VAL 523 HG21 VAL 523 -7.845 12.816 9.148 702 HG22 VAL 523 HG22 VAL 523 -8.086 14.562 9.118 703 HG23 VAL 523 HG23 VAL 523 -6.458 13.900 9.245 704 H VAL 524 H VAL 524 -6.104 16.504 8.779 705 HA VAL 524 HA VAL 524 -3.214 16.058 8.590 706 HB VAL 524 HB VAL 524 -4.810 17.813 10.485 707 HG11 VAL 524 HG11 VAL 524 -2.733 17.099 11.530 708 HG12 VAL 524 HG12 VAL 524 -2.631 18.804 11.089 709 HG13 VAL 524 HG13 VAL 524 -1.819 17.588 10.103 710 HG21 VAL 524 HG21 VAL 524 -3.919 19.687 9.169 711 HG22 VAL 524 HG22 VAL 524 -4.899 18.607 8.176 712 HG23 VAL 524 HG23 VAL 524 -3.140 18.545 8.073 713 H GLU 525 H GLU 525 -2.454 14.244 9.548 714 HA GLU 525 HA GLU 525 -3.972 13.091 11.787 715 HB2 GLU 525 HB2 GLU 525 -1.943 11.776 9.971 716 HB3 GLU 525 HB3 GLU 525 -2.892 10.970 11.214 717 HG2 GLU 525 HG2 GLU 525 -4.946 11.838 9.915 718 HG3 GLU 525 HG3 GLU 525 -3.807 12.110 8.596 719 H LEU 526 H LEU 526 -2.393 11.521 13.121 720 HA LEU 526 HA LEU 526 -0.863 13.293 14.737 721 HB2 LEU 526 HB2 LEU 526 -1.059 10.280 14.762 722 HB3 LEU 526 HB3 LEU 526 -0.286 11.235 16.014 723 HG LEU 526 HG LEU 526 -3.217 11.403 15.285 724 HD11 LEU 526 HD11 LEU 526 -3.614 10.236 17.396 725 HD12 LEU 526 HD12 LEU 526 -1.876 10.051 17.628 726 HD13 LEU 526 HD13 LEU 526 -2.677 9.243 16.280 727 HD21 LEU 526 HD21 LEU 526 -2.350 13.492 16.194 728 HD22 LEU 526 HD22 LEU 526 -1.660 12.627 17.567 729 HD23 LEU 526 HD23 LEU 526 -3.410 12.701 17.360 730 H ASN 527 H ASN 527 0.052 10.750 12.430 731 HA ASN 527 HA ASN 527 2.844 11.729 12.566 732 HB2 ASN 527 HB2 ASN 527 2.462 9.376 13.392 733 HB3 ASN 527 HB3 ASN 527 1.942 8.948 11.767 734 HD21 ASN 527 HD21 ASN 527 4.113 7.828 13.215 735 HD22 ASN 527 HD22 ASN 527 5.557 8.166 12.330 736 H GLU 528 H GLU 528 3.323 12.897 10.789 737 HA GLU 528 HA GLU 528 1.651 12.691 8.429 738 HB2 GLU 528 HB2 GLU 528 2.398 14.866 9.457 739 HB3 GLU 528 HB3 GLU 528 4.021 14.516 8.876 740 HG2 GLU 528 HG2 GLU 528 3.244 14.556 6.581 741 HG3 GLU 528 HG3 GLU 528 1.583 14.795 7.125 742 H ASN 529 H ASN 529 4.502 11.204 9.419 743 HA ASN 529 HA ASN 529 5.441 10.728 6.662 744 HB2 ASN 529 HB2 ASN 529 6.699 9.932 9.306 745 HB3 ASN 529 HB3 ASN 529 7.424 9.730 7.713 746 HD21 ASN 529 HD21 ASN 529 8.299 11.504 6.676 747 HD22 ASN 529 HD22 ASN 529 8.551 13.014 7.473 748 H ASN 530 H ASN 530 3.069 9.545 8.332 749 HA ASN 530 HA ASN 530 3.772 6.732 8.574 750 HB2 ASN 530 HB2 ASN 530 2.435 8.177 10.237 751 HB3 ASN 530 HB3 ASN 530 1.090 8.002 9.122 752 HD21 ASN 530 HD21 ASN 530 -0.144 6.882 10.585 753 HD22 ASN 530 HD22 ASN 530 0.216 5.268 11.070 754 H ASN 531 H ASN 531 2.181 8.758 6.299 755 HA ASN 531 HA ASN 531 0.175 6.889 5.445 756 HB2 ASN 531 HB2 ASN 531 1.033 9.469 4.120 757 HB3 ASN 531 HB3 ASN 531 -0.495 8.622 3.896 758 HD21 ASN 531 HD21 ASN 531 -2.049 8.724 5.519 759 HD22 ASN 531 HD22 ASN 531 -1.966 9.856 6.817 760 H VAL 532 H VAL 532 3.435 6.915 4.727 761 HA VAL 532 HA VAL 532 2.958 5.816 2.016 762 HB VAL 532 HB VAL 532 5.396 7.384 2.896 763 HG11 VAL 532 HG11 VAL 532 6.069 7.274 0.531 764 HG12 VAL 532 HG12 VAL 532 4.684 6.239 0.187 765 HG13 VAL 532 HG13 VAL 532 5.969 5.666 1.251 766 HG21 VAL 532 HG21 VAL 532 3.450 8.830 2.635 767 HG22 VAL 532 HG22 VAL 532 3.152 8.165 1.028 768 HG23 VAL 532 HG23 VAL 532 4.609 9.110 1.336 769 H ALA 533 H ALA 533 3.652 3.797 1.656 770 HA ALA 533 HA ALA 533 5.842 2.703 3.326 771 HB1 ALA 533 HB1 ALA 533 3.481 1.187 2.204 772 HB2 ALA 533 HB2 ALA 533 3.713 1.637 3.893 773 HB3 ALA 533 HB3 ALA 533 4.813 0.490 3.128 774 H THR 534 H THR 534 7.429 1.488 2.281 775 HA THR 534 HA THR 534 7.345 1.479 -0.676 776 HB THR 534 HB THR 534 9.629 2.403 1.082 777 HG1 THR 534 HG1 THR 534 7.703 3.644 -0.483 778 HG21 THR 534 HG21 THR 534 10.552 1.060 -0.730 779 HG22 THR 534 HG22 THR 534 10.883 2.769 -1.012 780 HG23 THR 534 HG23 THR 534 9.598 1.961 -1.910 781 H PHE 535 H PHE 535 8.080 -0.337 -1.676 782 HA PHE 535 HA PHE 535 9.745 -2.245 -0.179 783 HB2 PHE 535 HB2 PHE 535 7.333 -2.890 0.063 784 HB3 PHE 535 HB3 PHE 535 7.244 -3.064 -1.685 785 HD1 PHE 535 HD1 PHE 535 8.828 -4.406 1.377 786 HD2 PHE 535 HD2 PHE 535 7.997 -5.043 -2.754 787 HE1 PHE 535 HE1 PHE 535 9.573 -6.742 1.589 788 HE2 PHE 535 HE2 PHE 535 8.743 -7.378 -2.546 789 HZ PHE 535 HZ PHE 535 9.532 -8.231 -0.371 790 H ASP 536 H ASP 536 11.330 -3.165 -1.408 791 HA ASP 536 HA ASP 536 11.443 -2.452 -4.253 792 HB2 ASP 536 HB2 ASP 536 13.560 -3.498 -2.356 793 HB3 ASP 536 HB3 ASP 536 13.838 -3.187 -4.066 794 H VAL 537 H VAL 537 11.202 -3.903 -5.857 795 HA VAL 537 HA VAL 537 11.402 -6.786 -5.228 796 HB VAL 537 HB VAL 537 9.495 -5.510 -7.210 797 HG11 VAL 537 HG11 VAL 537 9.810 -8.399 -6.374 798 HG12 VAL 537 HG12 VAL 537 10.242 -7.716 -7.941 799 HG13 VAL 537 HG13 VAL 537 8.553 -7.769 -7.439 800 HG21 VAL 537 HG21 VAL 537 8.909 -6.823 -4.551 801 HG22 VAL 537 HG22 VAL 537 7.712 -6.204 -5.691 802 HG23 VAL 537 HG23 VAL 537 8.822 -5.093 -4.888 803 H SER 538 H SER 538 12.743 -7.955 -6.482 804 HA SER 538 HA SER 538 13.914 -6.700 -8.882 805 HB2 SER 538 HB2 SER 538 15.539 -7.327 -7.142 806 HB3 SER 538 HB3 SER 538 14.963 -8.994 -7.192 807 HG SER 538 HG SER 538 16.361 -7.547 -9.185 808 H VAL 539 H VAL 539 13.286 -7.439 -10.816 809 HA VAL 539 HA VAL 539 11.987 -10.079 -10.985 810 HB VAL 539 HB VAL 539 11.908 -7.792 -12.969 811 HG11 VAL 539 HG11 VAL 539 11.622 -9.987 -14.032 812 HG12 VAL 539 HG12 VAL 539 10.124 -9.056 -14.067 813 HG13 VAL 539 HG13 VAL 539 10.320 -10.366 -12.902 814 HG21 VAL 539 HG21 VAL 539 10.752 -7.246 -10.873 815 HG22 VAL 539 HG22 VAL 539 9.795 -8.721 -11.017 816 HG23 VAL 539 HG23 VAL 539 9.616 -7.433 -12.209 817 H VAL 540 H VAL 540 13.096 -11.714 -11.834 818 HA VAL 540 HA VAL 540 15.350 -11.139 -13.670 819 HB VAL 540 HB VAL 540 16.404 -13.220 -12.865 820 HG11 VAL 540 HG11 VAL 540 15.708 -11.269 -10.659 821 HG12 VAL 540 HG12 VAL 540 17.018 -11.097 -11.829 822 HG13 VAL 540 HG13 VAL 540 17.062 -12.401 -10.642 823 HG21 VAL 540 HG21 VAL 540 15.535 -14.339 -10.845 824 HG22 VAL 540 HG22 VAL 540 14.413 -14.457 -12.201 825 HG23 VAL 540 HG23 VAL 540 14.105 -13.306 -10.900 826 H LEU 541 H LEU 541 15.902 -12.983 -15.158 827 HA LEU 541 HA LEU 541 13.481 -13.840 -16.524 828 HB2 LEU 541 HB2 LEU 541 16.400 -14.080 -17.248 829 HB3 LEU 541 HB3 LEU 541 15.098 -14.668 -18.262 830 HG LEU 541 HG LEU 541 15.572 -11.779 -17.497 831 HD11 LEU 541 HD11 LEU 541 17.225 -12.624 -19.080 832 HD12 LEU 541 HD12 LEU 541 16.130 -11.483 -19.860 833 HD13 LEU 541 HD13 LEU 541 15.935 -13.216 -20.129 834 HD21 LEU 541 HD21 LEU 541 13.783 -11.284 -19.106 835 HD22 LEU 541 HD22 LEU 541 13.193 -12.246 -17.750 836 HD23 LEU 541 HD23 LEU 541 13.493 -13.012 -19.311 837 H GLU 542 H GLU 542 14.785 -15.165 -13.966 838 HA GLU 542 HA GLU 542 14.410 -17.926 -14.888 839 HB2 GLU 542 HB2 GLU 542 16.430 -18.561 -13.455 840 HB3 GLU 542 HB3 GLU 542 16.753 -17.751 -14.981 841 HG2 GLU 542 HG2 GLU 542 16.892 -15.592 -13.641 842 HG3 GLU 542 HG3 GLU 542 16.913 -16.609 -12.202 Start of MODEL 8 1 H1 MET 435 H1 MET 435 -7.641 16.940 21.660 2 H2 MET 435 H2 MET 435 -8.810 15.914 22.327 3 H3 MET 435 H3 MET 435 -9.194 17.521 21.975 4 HA MET 435 HA MET 435 -10.124 16.027 20.331 5 HB2 MET 435 HB2 MET 435 -9.561 18.283 19.640 6 HB3 MET 435 HB3 MET 435 -7.883 17.827 19.375 7 HG2 MET 435 HG2 MET 435 -9.204 18.065 17.293 8 HG3 MET 435 HG3 MET 435 -8.479 16.471 17.495 9 HE1 MET 435 HE1 MET 435 -10.098 15.505 15.601 10 HE2 MET 435 HE2 MET 435 -10.809 17.108 15.408 11 HE3 MET 435 HE3 MET 435 -11.850 15.701 15.631 12 H GLU 436 H GLU 436 -9.965 14.117 19.313 13 HA GLU 436 HA GLU 436 -7.414 12.709 19.355 14 HB2 GLU 436 HB2 GLU 436 -10.164 11.749 18.510 15 HB3 GLU 436 HB3 GLU 436 -8.728 10.742 18.629 16 HG2 GLU 436 HG2 GLU 436 -9.979 10.328 20.572 17 HG3 GLU 436 HG3 GLU 436 -8.634 11.350 21.073 18 H PHE 437 H PHE 437 -6.136 12.403 17.639 19 HA PHE 437 HA PHE 437 -7.164 13.080 14.954 20 HB2 PHE 437 HB2 PHE 437 -4.301 13.163 15.952 21 HB3 PHE 437 HB3 PHE 437 -4.834 13.596 14.333 22 HD1 PHE 437 HD1 PHE 437 -6.237 15.626 13.996 23 HD2 PHE 437 HD2 PHE 437 -4.461 14.704 17.760 24 HE1 PHE 437 HE1 PHE 437 -6.572 17.950 14.725 25 HE2 PHE 437 HE2 PHE 437 -4.798 17.029 18.489 26 HZ PHE 437 HZ PHE 437 -5.853 18.653 16.971 27 HA PRO 438 HA PRO 438 -6.515 8.781 13.960 28 HB2 PRO 438 HB2 PRO 438 -6.615 8.948 11.247 29 HB3 PRO 438 HB3 PRO 438 -8.047 9.060 12.278 30 HG2 PRO 438 HG2 PRO 438 -6.466 11.250 10.987 31 HG3 PRO 438 HG3 PRO 438 -8.222 11.079 11.142 32 HD2 PRO 438 HD2 PRO 438 -6.735 12.692 12.757 33 HD3 PRO 438 HD3 PRO 438 -8.236 11.910 13.291 34 H ASP 439 H ASP 439 -5.133 7.420 12.465 35 HA ASP 439 HA ASP 439 -2.630 8.560 11.566 36 HB2 ASP 439 HB2 ASP 439 -2.352 8.146 14.061 37 HB3 ASP 439 HB3 ASP 439 -2.564 6.431 13.732 38 H LEU 440 H LEU 440 -3.284 7.779 9.561 39 HA LEU 440 HA LEU 440 -3.969 4.957 9.241 40 HB2 LEU 440 HB2 LEU 440 -3.885 7.153 7.162 41 HB3 LEU 440 HB3 LEU 440 -4.618 5.570 6.980 42 HG LEU 440 HG LEU 440 -5.579 7.702 8.904 43 HD11 LEU 440 HD11 LEU 440 -5.937 8.398 6.604 44 HD12 LEU 440 HD12 LEU 440 -7.468 7.962 7.363 45 HD13 LEU 440 HD13 LEU 440 -6.696 6.850 6.231 46 HD21 LEU 440 HD21 LEU 440 -6.814 5.063 8.103 47 HD22 LEU 440 HD22 LEU 440 -7.543 6.273 9.159 48 HD23 LEU 440 HD23 LEU 440 -6.077 5.434 9.662 49 H THR 441 H THR 441 -2.306 3.561 8.994 50 HA THR 441 HA THR 441 -0.083 4.385 7.219 51 HB THR 441 HB THR 441 0.682 4.139 9.546 52 HG1 THR 441 HG1 THR 441 2.313 3.694 8.201 53 HG21 THR 441 HG21 THR 441 -0.876 2.430 10.332 54 HG22 THR 441 HG22 THR 441 0.792 1.909 10.580 55 HG23 THR 441 HG23 THR 441 -0.149 1.246 9.244 56 H VAL 442 H VAL 442 0.943 2.708 5.988 57 HA VAL 442 HA VAL 442 -0.794 0.380 5.436 58 HB VAL 442 HB VAL 442 -0.322 0.602 3.042 59 HG11 VAL 442 HG11 VAL 442 -1.691 2.557 2.563 60 HG12 VAL 442 HG12 VAL 442 -1.390 3.191 4.180 61 HG13 VAL 442 HG13 VAL 442 -2.321 1.709 3.974 62 HG21 VAL 442 HG21 VAL 442 1.135 3.143 3.800 63 HG22 VAL 442 HG22 VAL 442 0.772 2.627 2.153 64 HG23 VAL 442 HG23 VAL 442 1.864 1.671 3.155 65 H GLU 443 H GLU 443 0.262 -1.531 4.797 66 HA GLU 443 HA GLU 443 3.215 -1.538 5.020 67 HB2 GLU 443 HB2 GLU 443 1.243 -3.613 5.975 68 HB3 GLU 443 HB3 GLU 443 2.969 -3.889 5.891 69 HG2 GLU 443 HG2 GLU 443 3.212 -1.889 7.446 70 HG3 GLU 443 HG3 GLU 443 1.468 -2.014 7.693 71 H ILE 444 H ILE 444 4.382 -2.851 3.603 72 HA ILE 444 HA ILE 444 2.836 -4.359 1.578 73 HB ILE 444 HB ILE 444 5.476 -2.965 1.057 74 HG12 ILE 444 HG12 ILE 444 2.699 -2.141 0.153 75 HG13 ILE 444 HG13 ILE 444 3.650 -1.321 1.389 76 HG21 ILE 444 HG21 ILE 444 4.995 -3.493 -1.304 77 HG22 ILE 444 HG22 ILE 444 3.543 -4.361 -0.805 78 HG23 ILE 444 HG23 ILE 444 5.132 -4.945 -0.314 79 HD11 ILE 444 HD11 ILE 444 5.347 -0.776 -0.283 80 HD12 ILE 444 HD12 ILE 444 3.761 -0.145 -0.724 81 HD13 ILE 444 HD13 ILE 444 4.386 -1.590 -1.518 82 H LYS 445 H LYS 445 3.162 -6.460 1.864 83 HA LYS 445 HA LYS 445 5.884 -7.399 2.516 84 HB2 LYS 445 HB2 LYS 445 3.270 -8.323 3.726 85 HB3 LYS 445 HB3 LYS 445 4.772 -9.223 3.868 86 HG2 LYS 445 HG2 LYS 445 5.814 -7.314 5.006 87 HG3 LYS 445 HG3 LYS 445 4.300 -6.417 4.868 88 HD2 LYS 445 HD2 LYS 445 3.171 -8.005 6.292 89 HD3 LYS 445 HD3 LYS 445 4.589 -9.053 6.321 90 HE2 LYS 445 HE2 LYS 445 4.398 -7.764 8.392 91 HE3 LYS 445 HE3 LYS 445 5.858 -7.329 7.504 92 HZ1 LYS 445 HZ1 LYS 445 3.321 -5.781 7.528 93 HZ2 LYS 445 HZ2 LYS 445 4.730 -5.353 6.691 94 HZ3 LYS 445 HZ3 LYS 445 4.724 -5.384 8.381 95 H GLY 446 H GLY 446 6.598 -9.216 1.469 96 HA2 GLY 446 HA2 GLY 446 5.248 -11.206 0.171 97 HA3 GLY 446 HA3 GLY 446 5.233 -9.881 -0.984 98 HA PRO 447 HA PRO 447 9.178 -12.387 -1.493 99 HB2 PRO 447 HB2 PRO 447 8.938 -12.804 -4.177 100 HB3 PRO 447 HB3 PRO 447 8.238 -13.879 -2.962 101 HG2 PRO 447 HG2 PRO 447 6.920 -11.703 -4.553 102 HG3 PRO 447 HG3 PRO 447 6.320 -13.328 -4.170 103 HD2 PRO 447 HD2 PRO 447 5.508 -11.119 -2.825 104 HD3 PRO 447 HD3 PRO 447 5.633 -12.713 -2.053 105 H ASP 448 H ASP 448 11.078 -11.395 -1.879 106 HA ASP 448 HA ASP 448 11.124 -8.735 -2.983 107 HB2 ASP 448 HB2 ASP 448 13.630 -8.951 -2.511 108 HB3 ASP 448 HB3 ASP 448 12.542 -9.042 -1.129 109 H VAL 449 H VAL 449 12.660 -11.827 -3.952 110 HA VAL 449 HA VAL 449 13.093 -10.662 -6.634 111 HB VAL 449 HB VAL 449 14.503 -13.017 -5.345 112 HG11 VAL 449 HG11 VAL 449 14.308 -13.387 -7.730 113 HG12 VAL 449 HG12 VAL 449 15.972 -12.946 -7.345 114 HG13 VAL 449 HG13 VAL 449 14.887 -11.756 -8.067 115 HG21 VAL 449 HG21 VAL 449 15.203 -10.869 -4.409 116 HG22 VAL 449 HG22 VAL 449 15.519 -10.250 -6.030 117 HG23 VAL 449 HG23 VAL 449 16.490 -11.576 -5.386 118 H VAL 450 H VAL 450 12.011 -11.462 -8.321 119 HA VAL 450 HA VAL 450 10.725 -14.105 -8.111 120 HB VAL 450 HB VAL 450 8.681 -13.226 -9.183 121 HG11 VAL 450 HG11 VAL 450 9.420 -11.848 -6.595 122 HG12 VAL 450 HG12 VAL 450 8.714 -13.454 -6.768 123 HG13 VAL 450 HG13 VAL 450 7.780 -12.028 -7.220 124 HG21 VAL 450 HG21 VAL 450 9.943 -10.505 -8.772 125 HG22 VAL 450 HG22 VAL 450 8.288 -10.802 -9.309 126 HG23 VAL 450 HG23 VAL 450 9.645 -11.289 -10.325 127 H GLY 451 H GLY 451 10.067 -15.012 -10.202 128 HA2 GLY 451 HA2 GLY 451 12.024 -14.430 -12.278 129 HA3 GLY 451 HA3 GLY 451 10.913 -15.789 -12.236 130 H VAL 452 H VAL 452 11.493 -14.069 -14.490 131 HA VAL 452 HA VAL 452 9.356 -12.242 -14.905 132 HB VAL 452 HB VAL 452 11.505 -12.158 -16.148 133 HG11 VAL 452 HG11 VAL 452 11.830 -14.533 -16.552 134 HG12 VAL 452 HG12 VAL 452 11.869 -13.635 -18.069 135 HG13 VAL 452 HG13 VAL 452 10.433 -14.560 -17.630 136 HG21 VAL 452 HG21 VAL 452 9.524 -10.968 -16.975 137 HG22 VAL 452 HG22 VAL 452 9.077 -12.381 -17.934 138 HG23 VAL 452 HG23 VAL 452 10.565 -11.503 -18.294 139 H ASN 453 H ASN 453 7.407 -12.480 -15.932 140 HA ASN 453 HA ASN 453 5.466 -13.443 -16.583 141 HB2 ASN 453 HB2 ASN 453 7.129 -15.810 -17.476 142 HB3 ASN 453 HB3 ASN 453 5.483 -15.436 -17.973 143 HD21 ASN 453 HD21 ASN 453 8.810 -14.761 -18.418 144 HD22 ASN 453 HD22 ASN 453 8.632 -13.698 -19.769 145 H LYS 454 H LYS 454 6.804 -14.083 -13.900 146 HA LYS 454 HA LYS 454 5.237 -16.480 -13.211 147 HB2 LYS 454 HB2 LYS 454 7.411 -15.048 -11.661 148 HB3 LYS 454 HB3 LYS 454 6.515 -16.439 -11.065 149 HG2 LYS 454 HG2 LYS 454 8.367 -16.368 -13.444 150 HG3 LYS 454 HG3 LYS 454 8.660 -17.151 -11.890 151 HD2 LYS 454 HD2 LYS 454 6.515 -17.895 -13.888 152 HD3 LYS 454 HD3 LYS 454 8.005 -18.788 -13.581 153 HE2 LYS 454 HE2 LYS 454 7.282 -19.291 -11.322 154 HE3 LYS 454 HE3 LYS 454 5.843 -18.289 -11.526 155 HZ1 LYS 454 HZ1 LYS 454 6.446 -20.727 -13.106 156 HZ2 LYS 454 HZ2 LYS 454 5.039 -19.794 -13.199 157 HZ3 LYS 454 HZ3 LYS 454 5.388 -20.663 -11.790 158 H LEU 455 H LEU 455 4.013 -16.465 -11.191 159 HA LEU 455 HA LEU 455 2.571 -13.934 -10.854 160 HB2 LEU 455 HB2 LEU 455 1.331 -16.040 -11.332 161 HB3 LEU 455 HB3 LEU 455 1.915 -16.698 -9.814 162 HG LEU 455 HG LEU 455 0.726 -14.832 -8.623 163 HD11 LEU 455 HD11 LEU 455 -0.999 -13.603 -9.848 164 HD12 LEU 455 HD12 LEU 455 -0.440 -14.326 -11.358 165 HD13 LEU 455 HD13 LEU 455 0.618 -13.243 -10.452 166 HD21 LEU 455 HD21 LEU 455 -1.511 -15.812 -8.872 167 HD22 LEU 455 HD22 LEU 455 -0.264 -17.054 -8.769 168 HD23 LEU 455 HD23 LEU 455 -0.981 -16.653 -10.329 169 H ALA 456 H ALA 456 2.991 -12.641 -9.152 170 HA ALA 456 HA ALA 456 4.053 -13.857 -6.670 171 HB1 ALA 456 HB1 ALA 456 5.758 -12.527 -7.808 172 HB2 ALA 456 HB2 ALA 456 5.299 -11.791 -6.272 173 HB3 ALA 456 HB3 ALA 456 4.690 -11.124 -7.789 174 H GLU 457 H GLU 457 2.972 -13.438 -4.814 175 HA GLU 457 HA GLU 457 0.728 -11.526 -4.915 176 HB2 GLU 457 HB2 GLU 457 1.161 -14.060 -3.352 177 HB3 GLU 457 HB3 GLU 457 -0.017 -12.867 -2.822 178 HG2 GLU 457 HG2 GLU 457 -1.258 -13.085 -4.853 179 HG3 GLU 457 HG3 GLU 457 -0.026 -14.139 -5.554 180 H TYR 458 H TYR 458 0.574 -9.875 -3.533 181 HA TYR 458 HA TYR 458 2.474 -9.711 -1.274 182 HB2 TYR 458 HB2 TYR 458 1.623 -7.455 -3.117 183 HB3 TYR 458 HB3 TYR 458 2.603 -7.255 -1.669 184 HD1 TYR 458 HD1 TYR 458 2.561 -8.729 -5.076 185 HD2 TYR 458 HD2 TYR 458 4.953 -7.683 -1.708 186 HE1 TYR 458 HE1 TYR 458 4.593 -9.131 -6.398 187 HE2 TYR 458 HE2 TYR 458 6.989 -8.084 -3.026 188 HH TYR 458 HH TYR 458 7.730 -9.253 -4.969 189 H GLU 459 H GLU 459 1.730 -8.363 0.522 190 HA GLU 459 HA GLU 459 -1.219 -8.124 0.645 191 HB2 GLU 459 HB2 GLU 459 0.717 -8.711 2.898 192 HB3 GLU 459 HB3 GLU 459 -0.993 -8.391 3.116 193 HG2 GLU 459 HG2 GLU 459 -1.430 -10.411 1.665 194 HG3 GLU 459 HG3 GLU 459 0.292 -10.770 1.805 195 H VAL 460 H VAL 460 -1.953 -6.112 0.868 196 HA VAL 460 HA VAL 460 -0.231 -4.060 2.076 197 HB VAL 460 HB VAL 460 -2.914 -3.699 0.713 198 HG11 VAL 460 HG11 VAL 460 -2.405 -1.906 2.275 199 HG12 VAL 460 HG12 VAL 460 -2.280 -1.317 0.618 200 HG13 VAL 460 HG13 VAL 460 -0.819 -1.679 1.537 201 HG21 VAL 460 HG21 VAL 460 -1.256 -4.548 -0.868 202 HG22 VAL 460 HG22 VAL 460 -0.140 -3.264 -0.405 203 HG23 VAL 460 HG23 VAL 460 -1.654 -2.866 -1.219 204 H HIS 461 H HIS 461 -0.423 -3.917 4.230 205 HA HIS 461 HA HIS 461 -3.023 -4.486 5.490 206 HB2 HIS 461 HB2 HIS 461 -0.215 -4.389 6.600 207 HB3 HIS 461 HB3 HIS 461 -1.624 -4.425 7.643 208 HD1 HIS 461 HD1 HIS 461 -2.540 -6.683 8.191 209 HD2 HIS 461 HD2 HIS 461 0.002 -6.770 4.901 210 HE1 HIS 461 HE1 HIS 461 -2.242 -9.112 7.632 211 HE2 HIS 461 HE2 HIS 461 -0.618 -9.152 5.710 212 H VAL 462 H VAL 462 -4.276 -2.753 5.721 213 HA VAL 462 HA VAL 462 -3.025 -0.141 6.281 214 HB VAL 462 HB VAL 462 -4.872 0.950 5.200 215 HG11 VAL 462 HG11 VAL 462 -3.081 0.093 3.749 216 HG12 VAL 462 HG12 VAL 462 -4.631 0.155 2.913 217 HG13 VAL 462 HG13 VAL 462 -4.003 -1.388 3.492 218 HG21 VAL 462 HG21 VAL 462 -6.725 -0.454 5.894 219 HG22 VAL 462 HG22 VAL 462 -6.134 -1.785 4.898 220 HG23 VAL 462 HG23 VAL 462 -6.727 -0.309 4.137 221 H LYS 463 H LYS 463 -3.472 0.824 8.165 222 HA LYS 463 HA LYS 463 -5.820 0.005 9.714 223 HB2 LYS 463 HB2 LYS 463 -4.329 -0.315 11.741 224 HB3 LYS 463 HB3 LYS 463 -4.263 -1.578 10.517 225 HG2 LYS 463 HG2 LYS 463 -2.144 -0.984 9.812 226 HG3 LYS 463 HG3 LYS 463 -2.284 0.659 10.425 227 HD2 LYS 463 HD2 LYS 463 -0.754 -0.472 11.850 228 HD3 LYS 463 HD3 LYS 463 -2.262 -0.321 12.750 229 HE2 LYS 463 HE2 LYS 463 -1.457 -2.796 11.226 230 HE3 LYS 463 HE3 LYS 463 -1.116 -2.550 12.936 231 HZ1 LYS 463 HZ1 LYS 463 -3.490 -2.398 13.346 232 HZ2 LYS 463 HZ2 LYS 463 -3.104 -3.866 12.600 233 HZ3 LYS 463 HZ3 LYS 463 -3.814 -2.628 11.705 234 H ASN 464 H ASN 464 -6.479 1.431 11.293 235 HA ASN 464 HA ASN 464 -5.189 4.079 11.298 236 HB2 ASN 464 HB2 ASN 464 -7.638 3.869 10.745 237 HB3 ASN 464 HB3 ASN 464 -7.909 3.269 12.375 238 HD21 ASN 464 HD21 ASN 464 -8.982 5.610 11.070 239 HD22 ASN 464 HD22 ASN 464 -8.543 6.958 12.053 240 H LEU 465 H LEU 465 -4.044 4.696 13.063 241 HA LEU 465 HA LEU 465 -4.255 3.034 15.496 242 HB2 LEU 465 HB2 LEU 465 -1.966 4.734 14.494 243 HB3 LEU 465 HB3 LEU 465 -1.963 3.846 16.007 244 HG LEU 465 HG LEU 465 -2.156 2.605 13.253 245 HD11 LEU 465 HD11 LEU 465 0.052 3.549 13.681 246 HD12 LEU 465 HD12 LEU 465 0.103 1.787 13.676 247 HD13 LEU 465 HD13 LEU 465 0.146 2.667 15.205 248 HD21 LEU 465 HD21 LEU 465 -1.865 0.472 14.418 249 HD22 LEU 465 HD22 LEU 465 -3.340 1.290 14.934 250 HD23 LEU 465 HD23 LEU 465 -1.914 1.306 15.972 251 H GLY 466 H GLY 466 -5.083 6.074 14.340 252 HA2 GLY 466 HA2 GLY 466 -4.473 7.676 16.634 253 HA3 GLY 466 HA3 GLY 466 -5.537 8.121 15.314 254 H GLY 467 H GLY 467 -7.078 5.516 15.934 255 HA2 GLY 467 HA2 GLY 467 -8.643 4.734 17.492 256 HA3 GLY 467 HA3 GLY 467 -8.231 6.071 18.551 257 H ILE 468 H ILE 468 -8.948 6.956 15.338 258 HA ILE 468 HA ILE 468 -11.772 7.513 15.935 259 HB ILE 468 HB ILE 468 -10.750 9.574 16.542 260 HG12 ILE 468 HG12 ILE 468 -11.735 9.901 13.691 261 HG13 ILE 468 HG13 ILE 468 -12.774 9.775 15.107 262 HG21 ILE 468 HG21 ILE 468 -8.564 9.187 15.525 263 HG22 ILE 468 HG22 ILE 468 -9.177 10.796 15.145 264 HG23 ILE 468 HG23 ILE 468 -9.243 9.519 13.930 265 HD11 ILE 468 HD11 ILE 468 -12.526 12.081 14.374 266 HD12 ILE 468 HD12 ILE 468 -10.779 11.970 14.581 267 HD13 ILE 468 HD13 ILE 468 -11.843 11.851 15.983 268 H GLY 469 H GLY 469 -13.139 7.520 14.142 269 HA2 GLY 469 HA2 GLY 469 -12.176 5.886 11.988 270 HA3 GLY 469 HA3 GLY 469 -13.816 6.450 12.213 271 H VAL 470 H VAL 470 -11.946 6.292 9.846 272 HA VAL 470 HA VAL 470 -12.418 9.027 8.845 273 HB VAL 470 HB VAL 470 -9.967 7.350 8.223 274 HG11 VAL 470 HG11 VAL 470 -10.722 10.131 7.306 275 HG12 VAL 470 HG12 VAL 470 -10.672 8.682 6.303 276 HG13 VAL 470 HG13 VAL 470 -9.182 9.330 6.990 277 HG21 VAL 470 HG21 VAL 470 -10.222 9.897 9.833 278 HG22 VAL 470 HG22 VAL 470 -8.708 9.094 9.411 279 HG23 VAL 470 HG23 VAL 470 -9.864 8.294 10.476 280 HA PRO 471 HA PRO 471 -14.327 6.481 5.614 281 HB2 PRO 471 HB2 PRO 471 -15.740 8.735 4.621 282 HB3 PRO 471 HB3 PRO 471 -16.345 7.507 5.729 283 HG2 PRO 471 HG2 PRO 471 -15.893 10.208 6.341 284 HG3 PRO 471 HG3 PRO 471 -16.172 8.907 7.509 285 HD2 PRO 471 HD2 PRO 471 -13.611 10.173 6.646 286 HD3 PRO 471 HD3 PRO 471 -14.069 9.508 8.231 287 H SER 472 H SER 472 -12.244 9.151 5.282 288 HA SER 472 HA SER 472 -12.346 9.356 2.394 289 HB2 SER 472 HB2 SER 472 -11.985 11.366 3.808 290 HB3 SER 472 HB3 SER 472 -10.427 10.704 4.306 291 HG SER 472 HG SER 472 -9.592 11.186 2.414 292 H THR 473 H THR 473 -11.270 6.824 3.805 293 HA THR 473 HA THR 473 -8.394 7.026 3.412 294 HB THR 473 HB THR 473 -10.082 4.752 4.492 295 HG1 THR 473 HG1 THR 473 -8.651 6.880 5.711 296 HG21 THR 473 HG21 THR 473 -7.078 5.112 4.563 297 HG22 THR 473 HG22 THR 473 -7.948 3.930 3.582 298 HG23 THR 473 HG23 THR 473 -7.982 3.814 5.341 299 H LYS 474 H LYS 474 -8.197 7.090 1.172 300 HA LYS 474 HA LYS 474 -8.874 4.673 -0.347 301 HB2 LYS 474 HB2 LYS 474 -7.587 7.247 -1.295 302 HB3 LYS 474 HB3 LYS 474 -8.160 5.935 -2.317 303 HG2 LYS 474 HG2 LYS 474 -10.467 6.369 -1.514 304 HG3 LYS 474 HG3 LYS 474 -9.852 7.741 -0.588 305 HD2 LYS 474 HD2 LYS 474 -9.006 8.724 -2.720 306 HD3 LYS 474 HD3 LYS 474 -9.780 7.400 -3.592 307 HE2 LYS 474 HE2 LYS 474 -11.168 9.470 -1.879 308 HE3 LYS 474 HE3 LYS 474 -11.175 9.395 -3.639 309 HZ1 LYS 474 HZ1 LYS 474 -12.367 7.407 -1.787 310 HZ2 LYS 474 HZ2 LYS 474 -12.300 7.229 -3.470 311 HZ3 LYS 474 HZ3 LYS 474 -13.203 8.482 -2.784 312 H VAL 475 H VAL 475 -7.387 3.162 -0.879 313 HA VAL 475 HA VAL 475 -4.546 3.651 -0.178 314 HB VAL 475 HB VAL 475 -5.999 0.994 -0.285 315 HG11 VAL 475 HG11 VAL 475 -3.230 1.711 0.697 316 HG12 VAL 475 HG12 VAL 475 -3.619 0.775 -0.746 317 HG13 VAL 475 HG13 VAL 475 -3.988 0.125 0.851 318 HG21 VAL 475 HG21 VAL 475 -5.181 2.616 2.131 319 HG22 VAL 475 HG22 VAL 475 -5.938 1.021 2.153 320 HG23 VAL 475 HG23 VAL 475 -6.831 2.414 1.544 321 H ARG 476 H ARG 476 -3.067 3.518 -1.793 322 HA ARG 476 HA ARG 476 -3.888 2.268 -4.345 323 HB2 ARG 476 HB2 ARG 476 -2.467 4.930 -4.068 324 HB3 ARG 476 HB3 ARG 476 -2.907 4.144 -5.581 325 HG2 ARG 476 HG2 ARG 476 -5.258 4.404 -5.084 326 HG3 ARG 476 HG3 ARG 476 -4.883 5.057 -3.490 327 HD2 ARG 476 HD2 ARG 476 -3.735 6.960 -4.584 328 HD3 ARG 476 HD3 ARG 476 -4.223 6.322 -6.154 329 HE ARG 476 HE ARG 476 -6.584 6.534 -5.016 330 HH11 ARG 476 HH11 ARG 476 -3.948 8.748 -4.893 331 HH12 ARG 476 HH12 ARG 476 -4.980 10.131 -4.739 332 HH21 ARG 476 HH21 ARG 476 -7.896 8.302 -4.761 333 HH22 ARG 476 HH22 ARG 476 -7.200 9.876 -4.611 334 H VAL 477 H VAL 477 -2.247 1.358 -5.619 335 HA VAL 477 HA VAL 477 0.409 1.127 -4.329 336 HB VAL 477 HB VAL 477 -1.126 -0.955 -5.911 337 HG11 VAL 477 HG11 VAL 477 1.685 -1.113 -4.806 338 HG12 VAL 477 HG12 VAL 477 1.241 -1.050 -6.513 339 HG13 VAL 477 HG13 VAL 477 0.788 -2.447 -5.537 340 HG21 VAL 477 HG21 VAL 477 -0.170 -0.948 -3.042 341 HG22 VAL 477 HG22 VAL 477 -1.033 -2.261 -3.845 342 HG23 VAL 477 HG23 VAL 477 -1.834 -0.714 -3.575 343 H TYR 478 H TYR 478 2.027 1.948 -5.487 344 HA TYR 478 HA TYR 478 1.725 2.246 -8.412 345 HB2 TYR 478 HB2 TYR 478 3.358 3.894 -6.457 346 HB3 TYR 478 HB3 TYR 478 3.358 4.118 -8.203 347 HD1 TYR 478 HD1 TYR 478 1.224 4.334 -5.165 348 HD2 TYR 478 HD2 TYR 478 1.666 5.392 -9.266 349 HE1 TYR 478 HE1 TYR 478 -0.684 5.871 -4.972 350 HE2 TYR 478 HE2 TYR 478 -0.237 6.933 -9.081 351 HH TYR 478 HH TYR 478 -1.583 7.842 -6.082 352 H ILE 479 H ILE 479 3.253 1.375 -9.741 353 HA ILE 479 HA ILE 479 5.621 0.112 -8.500 354 HB ILE 479 HB ILE 479 4.305 -0.559 -11.152 355 HG12 ILE 479 HG12 ILE 479 4.335 -2.091 -8.532 356 HG13 ILE 479 HG13 ILE 479 2.943 -1.256 -9.215 357 HG21 ILE 479 HG21 ILE 479 6.715 -0.936 -11.194 358 HG22 ILE 479 HG22 ILE 479 5.846 -2.470 -11.202 359 HG23 ILE 479 HG23 ILE 479 6.607 -1.895 -9.718 360 HD11 ILE 479 HD11 ILE 479 2.802 -3.647 -9.584 361 HD12 ILE 479 HD12 ILE 479 4.352 -3.629 -10.425 362 HD13 ILE 479 HD13 ILE 479 2.963 -2.791 -11.117 363 H ASN 480 H ASN 480 7.412 1.303 -8.755 364 HA ASN 480 HA ASN 480 8.899 2.842 -9.531 365 HB2 ASN 480 HB2 ASN 480 8.015 1.624 -12.157 366 HB3 ASN 480 HB3 ASN 480 9.335 2.782 -12.030 367 HD21 ASN 480 HD21 ASN 480 9.462 0.055 -12.940 368 HD22 ASN 480 HD22 ASN 480 10.570 -0.754 -11.893 369 H GLY 481 H GLY 481 6.256 3.822 -9.011 370 HA2 GLY 481 HA2 GLY 481 5.656 6.127 -9.069 371 HA3 GLY 481 HA3 GLY 481 6.384 6.257 -10.659 372 H THR 482 H THR 482 5.021 3.903 -11.746 373 HA THR 482 HA THR 482 2.583 5.281 -12.514 374 HB THR 482 HB THR 482 3.646 2.603 -13.461 375 HG1 THR 482 HG1 THR 482 4.186 5.263 -14.199 376 HG21 THR 482 HG21 THR 482 2.183 2.937 -15.395 377 HG22 THR 482 HG22 THR 482 1.585 4.444 -14.698 378 HG23 THR 482 HG23 THR 482 1.240 2.907 -13.904 379 H LEU 483 H LEU 483 0.543 4.812 -11.901 380 HA LEU 483 HA LEU 483 0.035 3.224 -9.636 381 HB2 LEU 483 HB2 LEU 483 -1.342 5.152 -10.275 382 HB3 LEU 483 HB3 LEU 483 -1.912 4.290 -11.692 383 HG LEU 483 HG LEU 483 -3.009 2.624 -10.218 384 HD11 LEU 483 HD11 LEU 483 -2.154 4.454 -7.973 385 HD12 LEU 483 HD12 LEU 483 -1.551 2.824 -8.271 386 HD13 LEU 483 HD13 LEU 483 -3.239 3.070 -7.827 387 HD21 LEU 483 HD21 LEU 483 -3.805 5.487 -9.661 388 HD22 LEU 483 HD22 LEU 483 -4.835 4.067 -9.473 389 HD23 LEU 483 HD23 LEU 483 -4.270 4.540 -11.075 390 H TYR 484 H TYR 484 -0.535 1.155 -9.355 391 HA TYR 484 HA TYR 484 -0.921 -0.536 -11.732 392 HB2 TYR 484 HB2 TYR 484 0.941 -1.252 -10.403 393 HB3 TYR 484 HB3 TYR 484 -0.007 -1.179 -8.920 394 HD1 TYR 484 HD1 TYR 484 0.224 -2.978 -12.183 395 HD2 TYR 484 HD2 TYR 484 -1.118 -3.090 -8.139 396 HE1 TYR 484 HE1 TYR 484 -0.377 -5.347 -12.455 397 HE2 TYR 484 HE2 TYR 484 -1.726 -5.461 -8.404 398 HH TYR 484 HH TYR 484 -2.331 -7.011 -10.277 399 H LYS 485 H LYS 485 -2.292 0.107 -8.511 400 HA LYS 485 HA LYS 485 -4.940 -0.645 -9.370 401 HB2 LYS 485 HB2 LYS 485 -3.768 -2.843 -8.886 402 HB3 LYS 485 HB3 LYS 485 -3.649 -2.334 -7.210 403 HG2 LYS 485 HG2 LYS 485 -6.042 -2.338 -6.971 404 HG3 LYS 485 HG3 LYS 485 -6.257 -2.632 -8.698 405 HD2 LYS 485 HD2 LYS 485 -5.091 -4.812 -8.428 406 HD3 LYS 485 HD3 LYS 485 -5.003 -4.517 -6.690 407 HE2 LYS 485 HE2 LYS 485 -7.447 -4.466 -6.569 408 HE3 LYS 485 HE3 LYS 485 -7.548 -4.718 -8.311 409 HZ1 LYS 485 HZ1 LYS 485 -7.893 -6.793 -7.209 410 HZ2 LYS 485 HZ2 LYS 485 -6.477 -6.629 -6.303 411 HZ3 LYS 485 HZ3 LYS 485 -6.386 -6.860 -7.971 412 H ASN 486 H ASN 486 -6.577 -0.066 -7.787 413 HA ASN 486 HA ASN 486 -5.604 1.442 -5.458 414 HB2 ASN 486 HB2 ASN 486 -7.043 3.381 -6.059 415 HB3 ASN 486 HB3 ASN 486 -5.730 3.113 -7.202 416 HD21 ASN 486 HD21 ASN 486 -6.222 2.273 -9.259 417 HD22 ASN 486 HD22 ASN 486 -7.817 2.361 -9.908 418 H TRP 487 H TRP 487 -7.127 1.852 -3.837 419 HA TRP 487 HA TRP 487 -9.739 0.500 -4.017 420 HB2 TRP 487 HB2 TRP 487 -7.743 0.207 -1.752 421 HB3 TRP 487 HB3 TRP 487 -9.404 -0.361 -1.693 422 HD1 TRP 487 HD1 TRP 487 -10.007 -2.527 -3.202 423 HE1 TRP 487 HE1 TRP 487 -8.514 -4.431 -4.075 424 HE3 TRP 487 HE3 TRP 487 -5.436 -0.301 -2.648 425 HZ2 TRP 487 HZ2 TRP 487 -5.774 -4.922 -4.485 426 HZ3 TRP 487 HZ3 TRP 487 -3.430 -1.562 -3.307 427 HH2 TRP 487 HH2 TRP 487 -3.593 -3.826 -4.207 428 H THR 488 H THR 488 -11.377 1.440 -2.771 429 HA THR 488 HA THR 488 -10.610 3.712 -1.029 430 HB THR 488 HB THR 488 -13.152 3.437 -2.669 431 HG1 THR 488 HG1 THR 488 -12.166 4.746 -4.006 432 HG21 THR 488 HG21 THR 488 -13.682 4.392 -0.488 433 HG22 THR 488 HG22 THR 488 -13.757 5.645 -1.725 434 HG23 THR 488 HG23 THR 488 -12.362 5.552 -0.650 435 H VAL 489 H VAL 489 -10.980 3.298 1.059 436 HA VAL 489 HA VAL 489 -13.232 1.567 1.834 437 HB VAL 489 HB VAL 489 -11.823 0.395 3.497 438 HG11 VAL 489 HG11 VAL 489 -10.632 -1.080 1.949 439 HG12 VAL 489 HG12 VAL 489 -10.791 0.123 0.668 440 HG13 VAL 489 HG13 VAL 489 -12.228 -0.659 1.327 441 HG21 VAL 489 HG21 VAL 489 -10.077 2.041 3.832 442 HG22 VAL 489 HG22 VAL 489 -9.531 1.850 2.164 443 HG23 VAL 489 HG23 VAL 489 -9.353 0.521 3.309 444 H SER 490 H SER 490 -13.498 1.596 4.293 445 HA SER 490 HA SER 490 -12.801 4.240 5.418 446 HB2 SER 490 HB2 SER 490 -14.903 4.012 6.793 447 HB3 SER 490 HB3 SER 490 -15.190 4.178 5.061 448 HG SER 490 HG SER 490 -15.964 2.209 4.985 449 H LEU 491 H LEU 491 -11.808 4.274 7.388 450 HA LEU 491 HA LEU 491 -11.442 1.671 8.755 451 HB2 LEU 491 HB2 LEU 491 -9.528 3.990 8.456 452 HB3 LEU 491 HB3 LEU 491 -9.281 2.701 9.618 453 HG LEU 491 HG LEU 491 -9.407 2.353 6.616 454 HD11 LEU 491 HD11 LEU 491 -7.020 1.858 6.783 455 HD12 LEU 491 HD12 LEU 491 -7.059 2.213 8.511 456 HD13 LEU 491 HD13 LEU 491 -7.371 3.494 7.340 457 HD21 LEU 491 HD21 LEU 491 -8.689 0.054 7.073 458 HD22 LEU 491 HD22 LEU 491 -10.261 0.399 7.796 459 HD23 LEU 491 HD23 LEU 491 -8.815 0.357 8.806 460 H GLY 492 H GLY 492 -12.389 1.558 10.678 461 HA2 GLY 492 HA2 GLY 492 -13.290 3.944 12.046 462 HA3 GLY 492 HA3 GLY 492 -13.577 2.283 12.539 463 HA PRO 493 HA PRO 493 -10.505 4.315 15.466 464 HB2 PRO 493 HB2 PRO 493 -11.680 3.240 17.715 465 HB3 PRO 493 HB3 PRO 493 -12.078 4.826 17.048 466 HG2 PRO 493 HG2 PRO 493 -13.506 2.213 16.690 467 HG3 PRO 493 HG3 PRO 493 -14.182 3.827 16.985 468 HD2 PRO 493 HD2 PRO 493 -14.165 2.750 14.526 469 HD3 PRO 493 HD3 PRO 493 -13.894 4.488 14.771 470 H LYS 494 H LYS 494 -8.713 3.123 15.116 471 HA LYS 494 HA LYS 494 -7.111 1.549 15.452 472 HB2 LYS 494 HB2 LYS 494 -9.101 0.206 17.298 473 HB3 LYS 494 HB3 LYS 494 -7.385 -0.154 17.193 474 HG2 LYS 494 HG2 LYS 494 -8.585 2.465 18.105 475 HG3 LYS 494 HG3 LYS 494 -7.915 1.210 19.150 476 HD2 LYS 494 HD2 LYS 494 -5.757 1.556 17.710 477 HD3 LYS 494 HD3 LYS 494 -6.507 3.101 17.295 478 HE2 LYS 494 HE2 LYS 494 -5.698 2.092 20.020 479 HE3 LYS 494 HE3 LYS 494 -5.079 3.498 19.159 480 HZ1 LYS 494 HZ1 LYS 494 -7.209 4.583 19.443 481 HZ2 LYS 494 HZ2 LYS 494 -6.613 4.094 20.945 482 HZ3 LYS 494 HZ3 LYS 494 -7.852 3.216 20.201 483 H GLU 495 H GLU 495 -9.391 1.241 13.436 484 HA GLU 495 HA GLU 495 -9.771 -1.610 13.148 485 HB2 GLU 495 HB2 GLU 495 -11.555 -0.073 12.530 486 HB3 GLU 495 HB3 GLU 495 -10.512 0.710 11.353 487 HG2 GLU 495 HG2 GLU 495 -12.007 -0.708 10.171 488 HG3 GLU 495 HG3 GLU 495 -10.409 -1.442 10.101 489 H GLU 496 H GLU 496 -9.037 -2.927 11.432 490 HA GLU 496 HA GLU 496 -6.956 -1.835 9.654 491 HB2 GLU 496 HB2 GLU 496 -5.788 -3.013 11.481 492 HB3 GLU 496 HB3 GLU 496 -6.726 -4.465 11.147 493 HG2 GLU 496 HG2 GLU 496 -5.742 -4.457 8.831 494 HG3 GLU 496 HG3 GLU 496 -4.677 -3.158 9.357 495 H LYS 497 H LYS 497 -7.191 -2.435 7.571 496 HA LYS 497 HA LYS 497 -8.888 -4.774 6.935 497 HB2 LYS 497 HB2 LYS 497 -8.339 -2.398 5.135 498 HB3 LYS 497 HB3 LYS 497 -9.477 -3.703 4.841 499 HG2 LYS 497 HG2 LYS 497 -9.711 -1.700 7.085 500 HG3 LYS 497 HG3 LYS 497 -10.540 -1.570 5.536 501 HD2 LYS 497 HD2 LYS 497 -10.860 -3.897 7.436 502 HD3 LYS 497 HD3 LYS 497 -11.932 -2.497 7.401 503 HE2 LYS 497 HE2 LYS 497 -12.422 -3.010 5.009 504 HE3 LYS 497 HE3 LYS 497 -11.459 -4.480 5.169 505 HZ1 LYS 497 HZ1 LYS 497 -13.856 -4.866 5.447 506 HZ2 LYS 497 HZ2 LYS 497 -13.860 -3.848 6.799 507 HZ3 LYS 497 HZ3 LYS 497 -12.976 -5.292 6.828 508 H VAL 498 H VAL 498 -7.891 -6.430 5.850 509 HA VAL 498 HA VAL 498 -5.124 -5.984 4.953 510 HB VAL 498 HB VAL 498 -6.583 -8.597 5.410 511 HG11 VAL 498 HG11 VAL 498 -4.336 -9.611 5.242 512 HG12 VAL 498 HG12 VAL 498 -3.674 -8.038 4.797 513 HG13 VAL 498 HG13 VAL 498 -4.837 -8.838 3.739 514 HG21 VAL 498 HG21 VAL 498 -4.514 -7.190 7.113 515 HG22 VAL 498 HG22 VAL 498 -5.181 -8.796 7.418 516 HG23 VAL 498 HG23 VAL 498 -6.225 -7.377 7.500 517 H LEU 499 H LEU 499 -4.820 -5.593 2.880 518 HA LEU 499 HA LEU 499 -6.699 -6.662 0.880 519 HB2 LEU 499 HB2 LEU 499 -4.680 -4.423 0.637 520 HB3 LEU 499 HB3 LEU 499 -5.819 -4.910 -0.604 521 HG LEU 499 HG LEU 499 -6.584 -3.767 2.092 522 HD11 LEU 499 HD11 LEU 499 -6.563 -2.463 -0.632 523 HD12 LEU 499 HD12 LEU 499 -5.476 -2.097 0.707 524 HD13 LEU 499 HD13 LEU 499 -7.198 -1.750 0.851 525 HD21 LEU 499 HD21 LEU 499 -8.301 -5.242 1.231 526 HD22 LEU 499 HD22 LEU 499 -8.255 -4.431 -0.337 527 HD23 LEU 499 HD23 LEU 499 -8.828 -3.565 1.089 528 H THR 500 H THR 500 -5.979 -7.866 -0.849 529 HA THR 500 HA THR 500 -3.093 -8.477 -1.007 530 HB THR 500 HB THR 500 -3.850 -10.804 -1.854 531 HG1 THR 500 HG1 THR 500 -5.887 -11.265 -0.422 532 HG21 THR 500 HG21 THR 500 -2.623 -10.483 0.229 533 HG22 THR 500 HG22 THR 500 -3.851 -11.736 0.408 534 HG23 THR 500 HG23 THR 500 -4.130 -10.127 1.078 535 H PHE 501 H PHE 501 -2.237 -8.779 -3.040 536 HA PHE 501 HA PHE 501 -4.006 -8.942 -5.345 537 HB2 PHE 501 HB2 PHE 501 -2.997 -7.076 -6.541 538 HB3 PHE 501 HB3 PHE 501 -3.693 -6.503 -5.032 539 HD1 PHE 501 HD1 PHE 501 -2.190 -5.912 -3.129 540 HD2 PHE 501 HD2 PHE 501 -0.672 -6.860 -6.996 541 HE1 PHE 501 HE1 PHE 501 -0.043 -4.859 -2.544 542 HE2 PHE 501 HE2 PHE 501 1.473 -5.807 -6.417 543 HZ PHE 501 HZ PHE 501 1.791 -4.805 -4.187 544 H SER 502 H SER 502 -3.010 -9.824 -7.192 545 HA SER 502 HA SER 502 -0.309 -10.926 -6.716 546 HB2 SER 502 HB2 SER 502 -0.959 -12.831 -8.156 547 HB3 SER 502 HB3 SER 502 -1.999 -12.694 -6.741 548 HG SER 502 HG SER 502 -3.063 -13.068 -8.835 549 H TRP 503 H TRP 503 1.175 -9.991 -7.922 550 HA TRP 503 HA TRP 503 0.424 -8.772 -10.493 551 HB2 TRP 503 HB2 TRP 503 1.434 -7.240 -8.900 552 HB3 TRP 503 HB3 TRP 503 2.809 -8.315 -8.680 553 HD1 TRP 503 HD1 TRP 503 1.238 -6.850 -11.935 554 HE1 TRP 503 HE1 TRP 503 3.124 -5.757 -13.298 555 HE3 TRP 503 HE3 TRP 503 5.129 -7.638 -8.709 556 HZ2 TRP 503 HZ2 TRP 503 5.892 -5.280 -13.036 557 HZ3 TRP 503 HZ3 TRP 503 7.365 -6.825 -9.343 558 HH2 TRP 503 HH2 TRP 503 7.737 -5.671 -11.463 559 H THR 504 H THR 504 1.235 -9.479 -12.381 560 HA THR 504 HA THR 504 3.297 -11.604 -12.314 561 HB THR 504 HB THR 504 1.241 -11.114 -14.494 562 HG1 THR 504 HG1 THR 504 0.721 -13.405 -13.462 563 HG21 THR 504 HG21 THR 504 3.182 -13.401 -14.068 564 HG22 THR 504 HG22 THR 504 3.297 -12.165 -15.321 565 HG23 THR 504 HG23 THR 504 1.961 -13.315 -15.335 566 HA PRO 505 HA PRO 505 5.516 -8.215 -14.435 567 HB2 PRO 505 HB2 PRO 505 8.008 -9.027 -13.787 568 HB3 PRO 505 HB3 PRO 505 6.967 -8.175 -12.639 569 HG2 PRO 505 HG2 PRO 505 7.519 -11.114 -12.875 570 HG3 PRO 505 HG3 PRO 505 7.439 -10.106 -11.416 571 HD2 PRO 505 HD2 PRO 505 5.378 -11.687 -12.260 572 HD3 PRO 505 HD3 PRO 505 5.138 -10.192 -11.336 573 H THR 506 H THR 506 4.941 -8.903 -16.553 574 HA THR 506 HA THR 506 6.306 -11.133 -17.796 575 HB THR 506 HB THR 506 5.207 -10.370 -19.896 576 HG1 THR 506 HG1 THR 506 3.801 -8.602 -19.812 577 HG21 THR 506 HG21 THR 506 2.896 -10.813 -19.176 578 HG22 THR 506 HG22 THR 506 3.376 -10.563 -17.495 579 HG23 THR 506 HG23 THR 506 4.038 -11.919 -18.410 580 H GLN 507 H GLN 507 7.479 -8.276 -16.876 581 HA GLN 507 HA GLN 507 9.532 -8.292 -18.985 582 HB2 GLN 507 HB2 GLN 507 8.019 -6.330 -19.300 583 HB3 GLN 507 HB3 GLN 507 8.410 -5.796 -17.672 584 HG2 GLN 507 HG2 GLN 507 10.774 -5.570 -18.336 585 HG3 GLN 507 HG3 GLN 507 10.337 -6.045 -19.976 586 HE21 GLN 507 HE21 GLN 507 11.038 -4.096 -20.838 587 HE22 GLN 507 HE22 GLN 507 10.181 -2.616 -20.602 588 H GLU 508 H GLU 508 11.652 -7.975 -18.236 589 HA GLU 508 HA GLU 508 11.967 -8.480 -15.372 590 HB2 GLU 508 HB2 GLU 508 14.100 -9.367 -15.849 591 HB3 GLU 508 HB3 GLU 508 13.059 -9.926 -17.147 592 HG2 GLU 508 HG2 GLU 508 15.071 -7.685 -17.292 593 HG3 GLU 508 HG3 GLU 508 15.213 -9.283 -18.016 594 H GLY 509 H GLY 509 13.443 -7.358 -14.037 595 HA2 GLY 509 HA2 GLY 509 15.215 -5.419 -14.407 596 HA3 GLY 509 HA3 GLY 509 13.737 -4.533 -14.746 597 H MET 510 H MET 510 14.714 -3.269 -12.878 598 HA MET 510 HA MET 510 14.065 -4.447 -10.269 599 HB2 MET 510 HB2 MET 510 16.274 -3.256 -10.697 600 HB3 MET 510 HB3 MET 510 15.353 -1.759 -10.793 601 HG2 MET 510 HG2 MET 510 16.284 -1.988 -8.593 602 HG3 MET 510 HG3 MET 510 14.530 -2.161 -8.496 603 HE1 MET 510 HE1 MET 510 14.543 -3.313 -6.134 604 HE2 MET 510 HE2 MET 510 16.281 -3.016 -6.084 605 HE3 MET 510 HE3 MET 510 15.649 -4.614 -5.693 606 H TYR 511 H TYR 511 12.047 -4.145 -9.556 607 HA TYR 511 HA TYR 511 10.604 -1.687 -10.344 608 HB2 TYR 511 HB2 TYR 511 9.519 -4.471 -9.846 609 HB3 TYR 511 HB3 TYR 511 8.516 -3.047 -10.107 610 HD1 TYR 511 HD1 TYR 511 10.952 -5.332 -11.709 611 HD2 TYR 511 HD2 TYR 511 8.146 -2.184 -12.308 612 HE1 TYR 511 HE1 TYR 511 11.061 -5.703 -14.140 613 HE2 TYR 511 HE2 TYR 511 8.248 -2.548 -14.737 614 HH TYR 511 HH TYR 511 9.756 -3.508 -16.404 615 H ARG 512 H ARG 512 10.479 -0.329 -8.674 616 HA ARG 512 HA ARG 512 10.303 -1.347 -5.941 617 HB2 ARG 512 HB2 ARG 512 11.887 0.451 -6.354 618 HB3 ARG 512 HB3 ARG 512 10.616 1.468 -7.015 619 HG2 ARG 512 HG2 ARG 512 9.573 1.680 -4.866 620 HG3 ARG 512 HG3 ARG 512 10.663 0.481 -4.165 621 HD2 ARG 512 HD2 ARG 512 11.275 2.824 -3.605 622 HD3 ARG 512 HD3 ARG 512 12.550 1.946 -4.448 623 HE ARG 512 HE ARG 512 10.767 3.659 -6.013 624 HH11 ARG 512 HH11 ARG 512 13.897 3.118 -4.645 625 HH12 ARG 512 HH12 ARG 512 14.650 4.305 -5.653 626 HH21 ARG 512 HH21 ARG 512 11.775 5.177 -7.293 627 HH22 ARG 512 HH22 ARG 512 13.477 5.447 -7.120 628 H ILE 513 H ILE 513 8.389 -1.748 -5.091 629 HA ILE 513 HA ILE 513 5.977 -0.465 -6.166 630 HB ILE 513 HB ILE 513 6.263 -2.872 -4.347 631 HG12 ILE 513 HG12 ILE 513 5.590 -2.679 -7.304 632 HG13 ILE 513 HG13 ILE 513 7.094 -3.293 -6.625 633 HG21 ILE 513 HG21 ILE 513 3.798 -1.765 -5.704 634 HG22 ILE 513 HG22 ILE 513 4.152 -1.671 -3.980 635 HG23 ILE 513 HG23 ILE 513 3.877 -3.240 -4.737 636 HD11 ILE 513 HD11 ILE 513 5.688 -5.117 -7.323 637 HD12 ILE 513 HD12 ILE 513 4.362 -4.524 -6.324 638 HD13 ILE 513 HD13 ILE 513 5.838 -5.125 -5.566 639 H ASN 514 H ASN 514 4.959 1.088 -5.064 640 HA ASN 514 HA ASN 514 5.423 1.342 -2.156 641 HB2 ASN 514 HB2 ASN 514 5.110 3.504 -4.245 642 HB3 ASN 514 HB3 ASN 514 4.998 3.816 -2.516 643 HD21 ASN 514 HD21 ASN 514 6.837 3.641 -1.250 644 HD22 ASN 514 HD22 ASN 514 8.421 3.639 -1.936 645 H ALA 515 H ALA 515 3.680 1.747 -0.841 646 HA ALA 515 HA ALA 515 1.028 1.986 -2.129 647 HB1 ALA 515 HB1 ALA 515 1.265 -0.198 -1.042 648 HB2 ALA 515 HB2 ALA 515 0.045 0.791 -0.237 649 HB3 ALA 515 HB3 ALA 515 1.645 0.596 0.486 650 H THR 516 H THR 516 -0.332 3.550 -1.386 651 HA THR 516 HA THR 516 0.571 5.227 0.875 652 HB THR 516 HB THR 516 -0.144 7.250 -0.411 653 HG1 THR 516 HG1 THR 516 -0.188 6.830 -2.796 654 HG21 THR 516 HG21 THR 516 1.840 7.394 -1.837 655 HG22 THR 516 HG22 THR 516 2.049 5.645 -1.744 656 HG23 THR 516 HG23 THR 516 2.239 6.634 -0.296 657 H VAL 517 H VAL 517 -1.096 6.518 1.861 658 HA VAL 517 HA VAL 517 -3.864 5.758 1.179 659 HB VAL 517 HB VAL 517 -3.258 4.431 3.115 660 HG11 VAL 517 HG11 VAL 517 -2.572 5.431 5.237 661 HG12 VAL 517 HG12 VAL 517 -2.558 7.029 4.488 662 HG13 VAL 517 HG13 VAL 517 -1.412 5.795 3.959 663 HG21 VAL 517 HG21 VAL 517 -4.987 5.160 4.690 664 HG22 VAL 517 HG22 VAL 517 -5.539 5.285 3.021 665 HG23 VAL 517 HG23 VAL 517 -5.047 6.734 3.899 666 H ASP 518 H ASP 518 -5.394 7.349 1.351 667 HA ASP 518 HA ASP 518 -6.119 9.491 1.010 668 HB2 ASP 518 HB2 ASP 518 -6.324 9.075 3.503 669 HB3 ASP 518 HB3 ASP 518 -4.844 10.007 3.706 670 H GLU 519 H GLU 519 -4.015 9.355 -0.553 671 HA GLU 519 HA GLU 519 -1.826 11.021 -0.149 672 HB2 GLU 519 HB2 GLU 519 -3.309 10.554 -2.744 673 HB3 GLU 519 HB3 GLU 519 -1.684 11.216 -2.603 674 HG2 GLU 519 HG2 GLU 519 -0.987 9.084 -1.517 675 HG3 GLU 519 HG3 GLU 519 -2.591 8.440 -1.872 676 H GLU 520 H GLU 520 -5.097 11.818 -1.000 677 HA GLU 520 HA GLU 520 -4.686 14.468 -1.895 678 HB2 GLU 520 HB2 GLU 520 -7.149 13.069 -0.829 679 HB3 GLU 520 HB3 GLU 520 -7.163 14.639 -1.627 680 HG2 GLU 520 HG2 GLU 520 -6.510 13.734 -3.689 681 HG3 GLU 520 HG3 GLU 520 -5.984 12.223 -2.957 682 H ASN 521 H ASN 521 -4.403 13.198 1.201 683 HA ASN 521 HA ASN 521 -4.074 14.109 3.256 684 HB2 ASN 521 HB2 ASN 521 -2.370 15.322 1.821 685 HB3 ASN 521 HB3 ASN 521 -3.495 16.671 1.749 686 HD21 ASN 521 HD21 ASN 521 -3.840 17.909 3.594 687 HD22 ASN 521 HD22 ASN 521 -2.773 17.842 4.954 688 H THR 522 H THR 522 -6.627 13.880 3.003 689 HA THR 522 HA THR 522 -8.043 16.427 3.189 690 HB THR 522 HB THR 522 -10.080 15.129 3.187 691 HG1 THR 522 HG1 THR 522 -8.548 12.728 3.198 692 HG21 THR 522 HG21 THR 522 -9.851 13.873 1.084 693 HG22 THR 522 HG22 THR 522 -8.093 13.927 1.240 694 HG23 THR 522 HG23 THR 522 -9.005 15.417 0.998 695 H VAL 523 H VAL 523 -7.086 13.750 5.251 696 HA VAL 523 HA VAL 523 -8.496 14.952 7.540 697 HB VAL 523 HB VAL 523 -8.995 12.582 7.012 698 HG11 VAL 523 HG11 VAL 523 -6.821 11.882 6.166 699 HG12 VAL 523 HG12 VAL 523 -7.329 10.839 7.495 700 HG13 VAL 523 HG13 VAL 523 -6.112 12.086 7.768 701 HG21 VAL 523 HG21 VAL 523 -8.770 11.737 9.314 702 HG22 VAL 523 HG22 VAL 523 -9.317 13.413 9.273 703 HG23 VAL 523 HG23 VAL 523 -7.640 13.044 9.673 704 H VAL 524 H VAL 524 -7.440 15.489 9.446 705 HA VAL 524 HA VAL 524 -4.585 15.982 9.277 706 HB VAL 524 HB VAL 524 -6.526 16.549 11.537 707 HG11 VAL 524 HG11 VAL 524 -4.225 16.386 12.342 708 HG12 VAL 524 HG12 VAL 524 -4.789 18.055 12.400 709 HG13 VAL 524 HG13 VAL 524 -3.700 17.537 11.113 710 HG21 VAL 524 HG21 VAL 524 -5.439 18.387 9.394 711 HG22 VAL 524 HG22 VAL 524 -6.469 18.871 10.741 712 HG23 VAL 524 HG23 VAL 524 -7.092 17.781 9.502 713 H GLU 525 H GLU 525 -3.128 14.498 9.862 714 HA GLU 525 HA GLU 525 -3.966 12.150 11.388 715 HB2 GLU 525 HB2 GLU 525 -1.404 12.726 9.873 716 HB3 GLU 525 HB3 GLU 525 -1.842 11.181 10.586 717 HG2 GLU 525 HG2 GLU 525 -3.570 12.489 8.508 718 HG3 GLU 525 HG3 GLU 525 -2.177 11.503 8.066 719 H LEU 526 H LEU 526 -2.233 11.149 12.842 720 HA LEU 526 HA LEU 526 -1.084 13.056 14.699 721 HB2 LEU 526 HB2 LEU 526 -0.935 10.042 14.505 722 HB3 LEU 526 HB3 LEU 526 -0.104 10.960 15.745 723 HG LEU 526 HG LEU 526 -3.104 10.935 15.358 724 HD11 LEU 526 HD11 LEU 526 -1.381 9.466 17.359 725 HD12 LEU 526 HD12 LEU 526 -2.342 8.743 16.067 726 HD13 LEU 526 HD13 LEU 526 -3.141 9.563 17.406 727 HD21 LEU 526 HD21 LEU 526 -1.370 12.074 17.559 728 HD22 LEU 526 HD22 LEU 526 -3.132 12.002 17.580 729 HD23 LEU 526 HD23 LEU 526 -2.306 12.995 16.380 730 H ASN 527 H ASN 527 -0.096 11.232 11.936 731 HA ASN 527 HA ASN 527 2.416 12.659 11.791 732 HB2 ASN 527 HB2 ASN 527 3.146 10.777 13.125 733 HB3 ASN 527 HB3 ASN 527 2.339 9.639 12.049 734 HD21 ASN 527 HD21 ASN 527 4.299 8.541 11.759 735 HD22 ASN 527 HD22 ASN 527 5.546 9.172 10.742 736 H GLU 528 H GLU 528 2.329 13.429 9.760 737 HA GLU 528 HA GLU 528 0.662 12.130 7.777 738 HB2 GLU 528 HB2 GLU 528 2.290 14.677 7.581 739 HB3 GLU 528 HB3 GLU 528 1.119 14.122 6.396 740 HG2 GLU 528 HG2 GLU 528 0.022 15.787 7.634 741 HG3 GLU 528 HG3 GLU 528 -0.621 14.260 8.230 742 H ASN 529 H ASN 529 3.828 11.728 8.658 743 HA ASN 529 HA ASN 529 4.808 11.133 5.966 744 HB2 ASN 529 HB2 ASN 529 6.295 12.248 7.611 745 HB3 ASN 529 HB3 ASN 529 6.174 10.838 8.658 746 HD21 ASN 529 HD21 ASN 529 7.399 12.037 5.615 747 HD22 ASN 529 HD22 ASN 529 8.573 10.790 5.388 748 H ASN 530 H ASN 530 3.012 9.575 8.302 749 HA ASN 530 HA ASN 530 4.205 6.931 8.069 750 HB2 ASN 530 HB2 ASN 530 3.251 7.855 10.207 751 HB3 ASN 530 HB3 ASN 530 1.653 7.754 9.478 752 HD21 ASN 530 HD21 ASN 530 0.928 6.304 11.024 753 HD22 ASN 530 HD22 ASN 530 1.459 4.661 11.061 754 H ASN 531 H ASN 531 2.118 8.707 6.197 755 HA ASN 531 HA ASN 531 0.126 6.714 5.603 756 HB2 ASN 531 HB2 ASN 531 0.750 9.301 4.153 757 HB3 ASN 531 HB3 ASN 531 -0.723 8.344 3.998 758 HD21 ASN 531 HD21 ASN 531 -2.230 8.379 5.664 759 HD22 ASN 531 HD22 ASN 531 -2.194 9.554 6.925 760 H VAL 532 H VAL 532 3.230 6.525 4.830 761 HA VAL 532 HA VAL 532 2.729 5.439 2.128 762 HB VAL 532 HB VAL 532 5.177 7.058 2.893 763 HG11 VAL 532 HG11 VAL 532 4.364 5.828 0.252 764 HG12 VAL 532 HG12 VAL 532 5.719 5.335 1.269 765 HG13 VAL 532 HG13 VAL 532 5.732 6.916 0.487 766 HG21 VAL 532 HG21 VAL 532 4.331 8.750 1.324 767 HG22 VAL 532 HG22 VAL 532 3.218 8.498 2.668 768 HG23 VAL 532 HG23 VAL 532 2.866 7.796 1.088 769 H ALA 533 H ALA 533 3.838 3.583 1.572 770 HA ALA 533 HA ALA 533 5.959 2.594 3.374 771 HB1 ALA 533 HB1 ALA 533 3.752 0.889 2.204 772 HB2 ALA 533 HB2 ALA 533 3.903 1.365 3.896 773 HB3 ALA 533 HB3 ALA 533 5.111 0.308 3.167 774 H THR 534 H THR 534 7.677 1.539 2.357 775 HA THR 534 HA THR 534 7.643 1.582 -0.608 776 HB THR 534 HB THR 534 9.994 2.217 1.200 777 HG1 THR 534 HG1 THR 534 8.977 4.097 1.180 778 HG21 THR 534 HG21 THR 534 11.152 2.832 -0.887 779 HG22 THR 534 HG22 THR 534 9.766 2.269 -1.820 780 HG23 THR 534 HG23 THR 534 10.713 1.125 -0.870 781 H PHE 535 H PHE 535 8.002 -0.337 -1.555 782 HA PHE 535 HA PHE 535 9.834 -2.252 -0.261 783 HB2 PHE 535 HB2 PHE 535 7.428 -2.935 0.053 784 HB3 PHE 535 HB3 PHE 535 7.290 -3.058 -1.697 785 HD1 PHE 535 HD1 PHE 535 9.040 -4.438 1.264 786 HD2 PHE 535 HD2 PHE 535 8.030 -5.006 -2.839 787 HE1 PHE 535 HE1 PHE 535 9.877 -6.747 1.379 788 HE2 PHE 535 HE2 PHE 535 8.865 -7.317 -2.723 789 HZ PHE 535 HZ PHE 535 9.790 -8.190 -0.615 790 H ASP 536 H ASP 536 11.194 -3.375 -1.659 791 HA ASP 536 HA ASP 536 11.138 -2.469 -4.468 792 HB2 ASP 536 HB2 ASP 536 13.680 -2.790 -4.319 793 HB3 ASP 536 HB3 ASP 536 12.985 -1.407 -3.483 794 H VAL 537 H VAL 537 11.049 -3.961 -6.014 795 HA VAL 537 HA VAL 537 11.518 -6.796 -5.310 796 HB VAL 537 HB VAL 537 9.568 -5.697 -7.357 797 HG11 VAL 537 HG11 VAL 537 10.031 -8.520 -6.381 798 HG12 VAL 537 HG12 VAL 537 10.364 -7.893 -7.995 799 HG13 VAL 537 HG13 VAL 537 8.700 -8.015 -7.423 800 HG21 VAL 537 HG21 VAL 537 9.038 -6.845 -4.613 801 HG22 VAL 537 HG22 VAL 537 7.806 -6.418 -5.800 802 HG23 VAL 537 HG23 VAL 537 8.829 -5.162 -5.102 803 H SER 538 H SER 538 12.627 -8.101 -6.749 804 HA SER 538 HA SER 538 13.846 -6.784 -9.106 805 HB2 SER 538 HB2 SER 538 15.522 -7.248 -7.364 806 HB3 SER 538 HB3 SER 538 15.047 -8.945 -7.342 807 HG SER 538 HG SER 538 16.677 -7.599 -9.087 808 H VAL 539 H VAL 539 13.219 -7.621 -10.999 809 HA VAL 539 HA VAL 539 12.083 -10.342 -11.070 810 HB VAL 539 HB VAL 539 11.833 -8.146 -13.145 811 HG11 VAL 539 HG11 VAL 539 11.587 -10.420 -14.047 812 HG12 VAL 539 HG12 VAL 539 10.067 -9.527 -14.104 813 HG13 VAL 539 HG13 VAL 539 10.326 -10.753 -12.860 814 HG21 VAL 539 HG21 VAL 539 10.736 -7.491 -11.062 815 HG22 VAL 539 HG22 VAL 539 9.862 -9.022 -11.022 816 HG23 VAL 539 HG23 VAL 539 9.539 -7.855 -12.305 817 H VAL 540 H VAL 540 13.206 -11.946 -12.007 818 HA VAL 540 HA VAL 540 15.585 -11.256 -13.620 819 HB VAL 540 HB VAL 540 16.540 -13.399 -12.930 820 HG11 VAL 540 HG11 VAL 540 15.514 -11.751 -10.614 821 HG12 VAL 540 HG12 VAL 540 16.986 -11.460 -11.541 822 HG13 VAL 540 HG13 VAL 540 16.848 -12.901 -10.533 823 HG21 VAL 540 HG21 VAL 540 14.027 -13.755 -11.278 824 HG22 VAL 540 HG22 VAL 540 15.441 -14.810 -11.256 825 HG23 VAL 540 HG23 VAL 540 14.457 -14.686 -12.713 826 H LEU 541 H LEU 541 16.232 -12.760 -15.326 827 HA LEU 541 HA LEU 541 13.948 -13.670 -16.894 828 HB2 LEU 541 HB2 LEU 541 16.894 -13.450 -17.516 829 HB3 LEU 541 HB3 LEU 541 15.718 -14.087 -18.650 830 HG LEU 541 HG LEU 541 15.676 -11.279 -17.524 831 HD11 LEU 541 HD11 LEU 541 16.373 -10.582 -19.769 832 HD12 LEU 541 HD12 LEU 541 16.537 -12.272 -20.245 833 HD13 LEU 541 HD13 LEU 541 17.591 -11.600 -18.999 834 HD21 LEU 541 HD21 LEU 541 13.452 -12.093 -18.095 835 HD22 LEU 541 HD22 LEU 541 14.022 -12.584 -19.692 836 HD23 LEU 541 HD23 LEU 541 13.981 -10.876 -19.254 837 H GLU 542 H GLU 542 15.910 -15.082 -14.620 838 HA GLU 542 HA GLU 542 15.990 -17.703 -15.944 839 HB2 GLU 542 HB2 GLU 542 17.493 -18.287 -13.954 840 HB3 GLU 542 HB3 GLU 542 18.124 -17.174 -15.157 841 HG2 GLU 542 HG2 GLU 542 17.615 -15.285 -13.706 842 HG3 GLU 542 HG3 GLU 542 16.933 -16.378 -12.503 Start of MODEL 9 1 H1 MET 435 H1 MET 435 -8.239 17.616 20.794 2 H2 MET 435 H2 MET 435 -9.256 16.588 21.668 3 H3 MET 435 H3 MET 435 -9.788 18.133 21.239 4 HA MET 435 HA MET 435 -10.794 16.463 19.838 5 HB2 MET 435 HB2 MET 435 -10.454 18.641 18.860 6 HB3 MET 435 HB3 MET 435 -8.777 18.269 18.483 7 HG2 MET 435 HG2 MET 435 -10.328 18.196 16.531 8 HG3 MET 435 HG3 MET 435 -9.420 16.709 16.799 9 HE1 MET 435 HE1 MET 435 -12.563 18.020 18.806 10 HE2 MET 435 HE2 MET 435 -13.872 17.239 17.922 11 HE3 MET 435 HE3 MET 435 -12.906 18.493 17.142 12 H GLU 436 H GLU 436 -10.657 14.663 18.524 13 HA GLU 436 HA GLU 436 -8.191 13.124 18.757 14 HB2 GLU 436 HB2 GLU 436 -10.938 12.376 17.719 15 HB3 GLU 436 HB3 GLU 436 -9.574 11.270 17.778 16 HG2 GLU 436 HG2 GLU 436 -10.971 10.827 19.651 17 HG3 GLU 436 HG3 GLU 436 -9.490 11.575 20.239 18 H PHE 437 H PHE 437 -6.722 12.954 17.171 19 HA PHE 437 HA PHE 437 -7.546 13.591 14.407 20 HB2 PHE 437 HB2 PHE 437 -4.851 13.980 15.733 21 HB3 PHE 437 HB3 PHE 437 -5.153 14.216 14.015 22 HD1 PHE 437 HD1 PHE 437 -6.624 16.054 13.255 23 HD2 PHE 437 HD2 PHE 437 -5.505 15.621 17.344 24 HE1 PHE 437 HE1 PHE 437 -7.319 18.374 13.689 25 HE2 PHE 437 HE2 PHE 437 -6.199 17.939 17.779 26 HZ PHE 437 HZ PHE 437 -7.108 19.317 15.953 27 HA PRO 438 HA PRO 438 -6.662 9.365 13.380 28 HB2 PRO 438 HB2 PRO 438 -6.142 10.353 10.636 29 HB3 PRO 438 HB3 PRO 438 -7.353 9.201 11.211 30 HG2 PRO 438 HG2 PRO 438 -8.040 11.666 10.450 31 HG3 PRO 438 HG3 PRO 438 -8.843 10.870 11.815 32 HD2 PRO 438 HD2 PRO 438 -6.696 12.967 11.837 33 HD3 PRO 438 HD3 PRO 438 -8.154 12.833 12.848 34 H ASP 439 H ASP 439 -5.085 8.038 12.161 35 HA ASP 439 HA ASP 439 -2.485 9.073 11.524 36 HB2 ASP 439 HB2 ASP 439 -2.517 8.912 14.074 37 HB3 ASP 439 HB3 ASP 439 -2.683 7.171 13.885 38 H LEU 440 H LEU 440 -2.932 8.046 9.524 39 HA LEU 440 HA LEU 440 -3.630 5.190 9.573 40 HB2 LEU 440 HB2 LEU 440 -3.645 7.172 7.289 41 HB3 LEU 440 HB3 LEU 440 -4.211 5.513 7.203 42 HG LEU 440 HG LEU 440 -5.437 7.642 8.973 43 HD11 LEU 440 HD11 LEU 440 -5.777 8.199 6.632 44 HD12 LEU 440 HD12 LEU 440 -7.288 7.656 7.360 45 HD13 LEU 440 HD13 LEU 440 -6.375 6.571 6.311 46 HD21 LEU 440 HD21 LEU 440 -5.751 5.368 9.822 47 HD22 LEU 440 HD22 LEU 440 -6.390 4.862 8.257 48 HD23 LEU 440 HD23 LEU 440 -7.272 6.038 9.233 49 H THR 441 H THR 441 -2.283 3.610 8.913 50 HA THR 441 HA THR 441 0.145 4.361 7.411 51 HB THR 441 HB THR 441 0.841 4.100 9.726 52 HG1 THR 441 HG1 THR 441 2.144 3.218 7.917 53 HG21 THR 441 HG21 THR 441 -0.949 2.626 10.523 54 HG22 THR 441 HG22 THR 441 0.641 1.965 10.904 55 HG23 THR 441 HG23 THR 441 -0.290 1.301 9.563 56 H VAL 442 H VAL 442 1.077 2.729 6.121 57 HA VAL 442 HA VAL 442 -0.703 0.448 5.517 58 HB VAL 442 HB VAL 442 -0.115 0.671 3.148 59 HG11 VAL 442 HG11 VAL 442 -2.111 1.843 3.964 60 HG12 VAL 442 HG12 VAL 442 -1.355 2.713 2.631 61 HG13 VAL 442 HG13 VAL 442 -1.139 3.277 4.289 62 HG21 VAL 442 HG21 VAL 442 1.412 3.136 4.005 63 HG22 VAL 442 HG22 VAL 442 1.103 2.656 2.335 64 HG23 VAL 442 HG23 VAL 442 2.105 1.643 3.371 65 H GLU 443 H GLU 443 0.282 -1.496 4.903 66 HA GLU 443 HA GLU 443 3.230 -1.639 5.087 67 HB2 GLU 443 HB2 GLU 443 1.238 -3.560 6.313 68 HB3 GLU 443 HB3 GLU 443 2.973 -3.823 6.255 69 HG2 GLU 443 HG2 GLU 443 3.307 -1.812 7.629 70 HG3 GLU 443 HG3 GLU 443 1.559 -1.594 7.713 71 H ILE 444 H ILE 444 4.176 -2.660 3.410 72 HA ILE 444 HA ILE 444 2.518 -4.301 1.606 73 HB ILE 444 HB ILE 444 5.295 -3.179 1.137 74 HG12 ILE 444 HG12 ILE 444 2.618 -2.226 0.063 75 HG13 ILE 444 HG13 ILE 444 3.575 -1.403 1.291 76 HG21 ILE 444 HG21 ILE 444 4.933 -3.813 -1.208 77 HG22 ILE 444 HG22 ILE 444 3.381 -4.528 -0.777 78 HG23 ILE 444 HG23 ILE 444 4.875 -5.220 -0.145 79 HD11 ILE 444 HD11 ILE 444 3.843 -0.348 -0.868 80 HD12 ILE 444 HD12 ILE 444 4.388 -1.871 -1.570 81 HD13 ILE 444 HD13 ILE 444 5.366 -1.065 -0.342 82 H LYS 445 H LYS 445 2.761 -6.470 1.567 83 HA LYS 445 HA LYS 445 5.229 -7.660 2.670 84 HB2 LYS 445 HB2 LYS 445 3.244 -7.656 4.272 85 HB3 LYS 445 HB3 LYS 445 2.461 -8.772 3.164 86 HG2 LYS 445 HG2 LYS 445 4.314 -10.364 3.483 87 HG3 LYS 445 HG3 LYS 445 5.052 -9.244 4.631 88 HD2 LYS 445 HD2 LYS 445 2.861 -9.371 5.932 89 HD3 LYS 445 HD3 LYS 445 2.447 -10.740 4.898 90 HE2 LYS 445 HE2 LYS 445 3.396 -11.547 6.968 91 HE3 LYS 445 HE3 LYS 445 4.509 -11.885 5.643 92 HZ1 LYS 445 HZ1 LYS 445 5.861 -10.032 6.295 93 HZ2 LYS 445 HZ2 LYS 445 5.605 -11.007 7.652 94 HZ3 LYS 445 HZ3 LYS 445 4.748 -9.559 7.477 95 H GLY 446 H GLY 446 6.078 -9.335 1.470 96 HA2 GLY 446 HA2 GLY 446 4.850 -11.317 0.077 97 HA3 GLY 446 HA3 GLY 446 4.794 -9.975 -1.052 98 HA PRO 447 HA PRO 447 8.802 -12.346 -1.630 99 HB2 PRO 447 HB2 PRO 447 8.578 -12.677 -4.322 100 HB3 PRO 447 HB3 PRO 447 7.856 -13.793 -3.156 101 HG2 PRO 447 HG2 PRO 447 6.571 -11.542 -4.668 102 HG3 PRO 447 HG3 PRO 447 5.962 -13.185 -4.386 103 HD2 PRO 447 HD2 PRO 447 5.125 -11.051 -2.936 104 HD3 PRO 447 HD3 PRO 447 5.245 -12.683 -2.244 105 H ASP 448 H ASP 448 10.609 -11.163 -1.782 106 HA ASP 448 HA ASP 448 10.545 -8.519 -2.978 107 HB2 ASP 448 HB2 ASP 448 12.801 -8.287 -1.965 108 HB3 ASP 448 HB3 ASP 448 11.577 -8.779 -0.798 109 H VAL 449 H VAL 449 11.677 -11.660 -3.858 110 HA VAL 449 HA VAL 449 12.847 -10.534 -6.325 111 HB VAL 449 HB VAL 449 13.987 -12.883 -4.780 112 HG11 VAL 449 HG11 VAL 449 14.157 -13.265 -7.176 113 HG12 VAL 449 HG12 VAL 449 15.749 -12.901 -6.510 114 HG13 VAL 449 HG13 VAL 449 14.866 -11.665 -7.405 115 HG21 VAL 449 HG21 VAL 449 15.983 -11.478 -4.516 116 HG22 VAL 449 HG22 VAL 449 14.569 -10.742 -3.762 117 HG23 VAL 449 HG23 VAL 449 15.151 -10.145 -5.317 118 H VAL 450 H VAL 450 11.823 -11.273 -8.079 119 HA VAL 450 HA VAL 450 10.570 -13.948 -8.003 120 HB VAL 450 HB VAL 450 8.627 -13.081 -9.264 121 HG11 VAL 450 HG11 VAL 450 8.453 -13.323 -6.845 122 HG12 VAL 450 HG12 VAL 450 7.518 -11.933 -7.397 123 HG13 VAL 450 HG13 VAL 450 9.083 -11.691 -6.619 124 HG21 VAL 450 HG21 VAL 450 9.844 -10.364 -8.729 125 HG22 VAL 450 HG22 VAL 450 8.222 -10.647 -9.366 126 HG23 VAL 450 HG23 VAL 450 9.634 -11.129 -10.306 127 H GLY 451 H GLY 451 10.057 -14.823 -10.168 128 HA2 GLY 451 HA2 GLY 451 12.219 -14.226 -12.042 129 HA3 GLY 451 HA3 GLY 451 11.160 -15.626 -12.083 130 H VAL 452 H VAL 452 11.794 -14.193 -14.368 131 HA VAL 452 HA VAL 452 9.836 -12.246 -15.045 132 HB VAL 452 HB VAL 452 12.054 -12.475 -16.163 133 HG11 VAL 452 HG11 VAL 452 12.131 -14.901 -16.371 134 HG12 VAL 452 HG12 VAL 452 12.351 -14.129 -17.941 135 HG13 VAL 452 HG13 VAL 452 10.798 -14.858 -17.526 136 HG21 VAL 452 HG21 VAL 452 11.265 -11.949 -18.427 137 HG22 VAL 452 HG22 VAL 452 10.300 -11.139 -17.192 138 HG23 VAL 452 HG23 VAL 452 9.668 -12.569 -18.009 139 H ASN 453 H ASN 453 7.926 -12.414 -16.149 140 HA ASN 453 HA ASN 453 5.957 -13.277 -16.876 141 HB2 ASN 453 HB2 ASN 453 7.595 -15.714 -17.624 142 HB3 ASN 453 HB3 ASN 453 5.968 -15.351 -18.193 143 HD21 ASN 453 HD21 ASN 453 9.318 -14.707 -18.566 144 HD22 ASN 453 HD22 ASN 453 9.182 -13.648 -19.925 145 H LYS 454 H LYS 454 7.101 -13.960 -14.101 146 HA LYS 454 HA LYS 454 5.457 -16.327 -13.502 147 HB2 LYS 454 HB2 LYS 454 7.530 -14.953 -11.775 148 HB3 LYS 454 HB3 LYS 454 6.662 -16.426 -11.363 149 HG2 LYS 454 HG2 LYS 454 8.682 -16.046 -13.567 150 HG3 LYS 454 HG3 LYS 454 8.846 -17.033 -12.114 151 HD2 LYS 454 HD2 LYS 454 6.932 -17.511 -14.407 152 HD3 LYS 454 HD3 LYS 454 8.390 -18.434 -14.050 153 HE2 LYS 454 HE2 LYS 454 7.413 -19.154 -11.918 154 HE3 LYS 454 HE3 LYS 454 5.956 -18.225 -12.271 155 HZ1 LYS 454 HZ1 LYS 454 5.712 -20.586 -12.787 156 HZ2 LYS 454 HZ2 LYS 454 6.975 -20.481 -13.907 157 HZ3 LYS 454 HZ3 LYS 454 5.537 -19.625 -14.167 158 H LEU 455 H LEU 455 4.283 -16.308 -11.396 159 HA LEU 455 HA LEU 455 2.748 -13.823 -11.189 160 HB2 LEU 455 HB2 LEU 455 1.537 -15.929 -11.564 161 HB3 LEU 455 HB3 LEU 455 2.196 -16.580 -10.073 162 HG LEU 455 HG LEU 455 0.981 -14.858 -8.785 163 HD11 LEU 455 HD11 LEU 455 -0.708 -13.472 -9.892 164 HD12 LEU 455 HD12 LEU 455 -0.158 -14.059 -11.461 165 HD13 LEU 455 HD13 LEU 455 0.921 -13.096 -10.452 166 HD21 LEU 455 HD21 LEU 455 -1.268 -15.758 -9.110 167 HD22 LEU 455 HD22 LEU 455 -0.057 -17.037 -9.165 168 HD23 LEU 455 HD23 LEU 455 -0.780 -16.444 -10.660 169 H ALA 456 H ALA 456 2.699 -12.557 -9.392 170 HA ALA 456 HA ALA 456 3.858 -13.598 -6.890 171 HB1 ALA 456 HB1 ALA 456 5.577 -12.239 -7.994 172 HB2 ALA 456 HB2 ALA 456 5.021 -11.489 -6.498 173 HB3 ALA 456 HB3 ALA 456 4.461 -10.873 -8.053 174 H GLU 457 H GLU 457 2.633 -13.200 -5.141 175 HA GLU 457 HA GLU 457 0.468 -11.205 -5.369 176 HB2 GLU 457 HB2 GLU 457 0.590 -13.870 -3.989 177 HB3 GLU 457 HB3 GLU 457 -0.512 -12.630 -3.401 178 HG2 GLU 457 HG2 GLU 457 -1.607 -12.528 -5.549 179 HG3 GLU 457 HG3 GLU 457 -0.466 -13.699 -6.223 180 H TYR 458 H TYR 458 0.373 -9.580 -3.967 181 HA TYR 458 HA TYR 458 2.175 -9.624 -1.624 182 HB2 TYR 458 HB2 TYR 458 1.479 -7.263 -3.397 183 HB3 TYR 458 HB3 TYR 458 2.431 -7.168 -1.920 184 HD1 TYR 458 HD1 TYR 458 2.398 -8.556 -5.364 185 HD2 TYR 458 HD2 TYR 458 4.759 -7.646 -1.938 186 HE1 TYR 458 HE1 TYR 458 4.440 -8.986 -6.662 187 HE2 TYR 458 HE2 TYR 458 6.805 -8.076 -3.229 188 HH TYR 458 HH TYR 458 7.552 -9.207 -5.175 189 H GLU 459 H GLU 459 1.503 -8.228 0.150 190 HA GLU 459 HA GLU 459 -1.434 -8.001 0.382 191 HB2 GLU 459 HB2 GLU 459 0.600 -8.699 2.517 192 HB3 GLU 459 HB3 GLU 459 -1.112 -8.441 2.811 193 HG2 GLU 459 HG2 GLU 459 -1.662 -10.382 1.463 194 HG3 GLU 459 HG3 GLU 459 0.045 -10.621 1.081 195 H VAL 460 H VAL 460 -2.128 -5.972 0.722 196 HA VAL 460 HA VAL 460 -0.325 -4.018 1.979 197 HB VAL 460 HB VAL 460 -3.005 -3.508 0.653 198 HG11 VAL 460 HG11 VAL 460 -2.376 -1.809 2.302 199 HG12 VAL 460 HG12 VAL 460 -2.320 -1.158 0.664 200 HG13 VAL 460 HG13 VAL 460 -0.824 -1.588 1.493 201 HG21 VAL 460 HG21 VAL 460 -1.686 -2.600 -1.238 202 HG22 VAL 460 HG22 VAL 460 -1.449 -4.333 -1.011 203 HG23 VAL 460 HG23 VAL 460 -0.214 -3.196 -0.470 204 H HIS 461 H HIS 461 -0.501 -3.966 4.141 205 HA HIS 461 HA HIS 461 -3.113 -4.463 5.398 206 HB2 HIS 461 HB2 HIS 461 -0.294 -4.476 6.488 207 HB3 HIS 461 HB3 HIS 461 -1.706 -4.522 7.534 208 HD1 HIS 461 HD1 HIS 461 -2.580 -6.780 8.061 209 HD2 HIS 461 HD2 HIS 461 -0.252 -6.786 4.615 210 HE1 HIS 461 HE1 HIS 461 -2.405 -9.188 7.373 211 HE2 HIS 461 HE2 HIS 461 -1.159 -9.148 5.190 212 H VAL 462 H VAL 462 -4.311 -2.720 5.773 213 HA VAL 462 HA VAL 462 -2.961 -0.165 6.378 214 HB VAL 462 HB VAL 462 -4.885 1.000 5.441 215 HG11 VAL 462 HG11 VAL 462 -4.543 0.456 3.106 216 HG12 VAL 462 HG12 VAL 462 -3.909 -1.130 3.534 217 HG13 VAL 462 HG13 VAL 462 -3.012 0.321 3.970 218 HG21 VAL 462 HG21 VAL 462 -6.657 -0.603 5.987 219 HG22 VAL 462 HG22 VAL 462 -6.008 -1.741 4.805 220 HG23 VAL 462 HG23 VAL 462 -6.684 -0.201 4.271 221 H LYS 463 H LYS 463 -3.278 0.676 8.334 222 HA LYS 463 HA LYS 463 -5.647 -0.129 9.886 223 HB2 LYS 463 HB2 LYS 463 -4.102 -0.329 11.907 224 HB3 LYS 463 HB3 LYS 463 -4.060 -1.638 10.733 225 HG2 LYS 463 HG2 LYS 463 -1.954 -1.120 10.010 226 HG3 LYS 463 HG3 LYS 463 -2.109 0.586 10.421 227 HD2 LYS 463 HD2 LYS 463 -0.539 -0.353 11.943 228 HD3 LYS 463 HD3 LYS 463 -2.030 -0.088 12.842 229 HE2 LYS 463 HE2 LYS 463 -1.187 -2.741 11.669 230 HE3 LYS 463 HE3 LYS 463 -0.910 -2.260 13.338 231 HZ1 LYS 463 HZ1 LYS 463 -3.502 -2.769 12.002 232 HZ2 LYS 463 HZ2 LYS 463 -3.393 -1.980 13.498 233 HZ3 LYS 463 HZ3 LYS 463 -2.839 -3.568 13.330 234 H ASN 464 H ASN 464 -6.282 1.268 11.538 235 HA ASN 464 HA ASN 464 -5.310 4.036 11.282 236 HB2 ASN 464 HB2 ASN 464 -7.751 3.473 10.984 237 HB3 ASN 464 HB3 ASN 464 -7.796 2.981 12.672 238 HD21 ASN 464 HD21 ASN 464 -9.320 5.021 11.362 239 HD22 ASN 464 HD22 ASN 464 -8.968 6.503 12.177 240 H LEU 465 H LEU 465 -4.131 4.952 12.909 241 HA LEU 465 HA LEU 465 -3.971 3.504 15.481 242 HB2 LEU 465 HB2 LEU 465 -1.897 5.267 14.166 243 HB3 LEU 465 HB3 LEU 465 -1.714 4.460 15.713 244 HG LEU 465 HG LEU 465 -2.020 3.075 13.040 245 HD11 LEU 465 HD11 LEU 465 0.146 4.179 13.292 246 HD12 LEU 465 HD12 LEU 465 0.310 2.425 13.340 247 HD13 LEU 465 HD13 LEU 465 0.389 3.358 14.835 248 HD21 LEU 465 HD21 LEU 465 -1.512 1.022 14.286 249 HD22 LEU 465 HD22 LEU 465 -3.006 1.769 14.851 250 HD23 LEU 465 HD23 LEU 465 -1.527 1.936 15.796 251 H GLY 466 H GLY 466 -5.207 6.288 14.138 252 HA2 GLY 466 HA2 GLY 466 -4.501 8.191 16.174 253 HA3 GLY 466 HA3 GLY 466 -5.722 8.402 14.932 254 H GLY 467 H GLY 467 -6.906 5.735 15.986 255 HA2 GLY 467 HA2 GLY 467 -8.379 5.034 17.639 256 HA3 GLY 467 HA3 GLY 467 -7.913 6.424 18.606 257 H ILE 468 H ILE 468 -8.929 7.058 15.381 258 HA ILE 468 HA ILE 468 -11.683 7.675 16.223 259 HB ILE 468 HB ILE 468 -10.511 9.778 16.392 260 HG12 ILE 468 HG12 ILE 468 -12.108 9.702 13.811 261 HG13 ILE 468 HG13 ILE 468 -12.783 9.848 15.429 262 HG21 ILE 468 HG21 ILE 468 -9.566 9.330 13.558 263 HG22 ILE 468 HG22 ILE 468 -8.572 9.251 15.013 264 HG23 ILE 468 HG23 ILE 468 -9.295 10.782 14.521 265 HD11 ILE 468 HD11 ILE 468 -10.992 11.853 14.070 266 HD12 ILE 468 HD12 ILE 468 -11.645 11.997 15.703 267 HD13 ILE 468 HD13 ILE 468 -12.733 11.994 14.315 268 H GLY 469 H GLY 469 -13.236 7.315 14.668 269 HA2 GLY 469 HA2 GLY 469 -12.601 5.552 12.541 270 HA3 GLY 469 HA3 GLY 469 -14.166 6.283 12.836 271 H VAL 470 H VAL 470 -11.899 5.951 10.544 272 HA VAL 470 HA VAL 470 -12.412 8.608 9.354 273 HB VAL 470 HB VAL 470 -10.007 6.828 8.875 274 HG11 VAL 470 HG11 VAL 470 -10.558 8.175 6.921 275 HG12 VAL 470 HG12 VAL 470 -9.085 8.776 7.682 276 HG13 VAL 470 HG13 VAL 470 -10.609 9.632 7.914 277 HG21 VAL 470 HG21 VAL 470 -9.971 7.771 11.127 278 HG22 VAL 470 HG22 VAL 470 -10.226 9.388 10.470 279 HG23 VAL 470 HG23 VAL 470 -8.732 8.517 10.117 280 HA PRO 471 HA PRO 471 -14.235 6.029 6.046 281 HB2 PRO 471 HB2 PRO 471 -15.833 7.929 5.034 282 HB3 PRO 471 HB3 PRO 471 -16.231 7.117 6.554 283 HG2 PRO 471 HG2 PRO 471 -14.996 9.814 6.112 284 HG3 PRO 471 HG3 PRO 471 -16.265 9.337 7.256 285 HD2 PRO 471 HD2 PRO 471 -13.606 9.619 7.924 286 HD3 PRO 471 HD3 PRO 471 -14.750 8.588 8.805 287 H SER 472 H SER 472 -12.241 8.741 6.063 288 HA SER 472 HA SER 472 -12.212 9.344 3.249 289 HB2 SER 472 HB2 SER 472 -10.452 10.353 5.495 290 HB3 SER 472 HB3 SER 472 -10.515 11.017 3.864 291 HG SER 472 HG SER 472 -11.844 12.241 5.187 292 H THR 473 H THR 473 -11.145 6.630 4.369 293 HA THR 473 HA THR 473 -8.267 6.875 3.951 294 HB THR 473 HB THR 473 -9.936 4.513 4.857 295 HG1 THR 473 HG1 THR 473 -8.663 6.623 6.187 296 HG21 THR 473 HG21 THR 473 -7.808 3.813 3.806 297 HG22 THR 473 HG22 THR 473 -7.847 3.472 5.535 298 HG23 THR 473 HG23 THR 473 -6.931 4.850 4.930 299 H LYS 474 H LYS 474 -7.868 6.994 1.788 300 HA LYS 474 HA LYS 474 -8.781 4.786 0.055 301 HB2 LYS 474 HB2 LYS 474 -7.417 7.380 -0.707 302 HB3 LYS 474 HB3 LYS 474 -8.059 6.181 -1.821 303 HG2 LYS 474 HG2 LYS 474 -10.327 6.633 -0.987 304 HG3 LYS 474 HG3 LYS 474 -9.669 7.855 0.106 305 HD2 LYS 474 HD2 LYS 474 -8.790 9.087 -1.852 306 HD3 LYS 474 HD3 LYS 474 -9.533 7.891 -2.915 307 HE2 LYS 474 HE2 LYS 474 -11.747 8.500 -1.990 308 HE3 LYS 474 HE3 LYS 474 -10.969 9.743 -1.007 309 HZ1 LYS 474 HZ1 LYS 474 -11.103 9.622 -3.965 310 HZ2 LYS 474 HZ2 LYS 474 -10.126 10.711 -3.120 311 HZ3 LYS 474 HZ3 LYS 474 -11.804 10.777 -2.953 312 H VAL 475 H VAL 475 -7.377 3.259 -0.615 313 HA VAL 475 HA VAL 475 -4.516 3.561 0.058 314 HB VAL 475 HB VAL 475 -6.015 1.013 -0.604 315 HG11 VAL 475 HG11 VAL 475 -3.305 1.461 0.660 316 HG12 VAL 475 HG12 VAL 475 -3.607 0.877 -0.978 317 HG13 VAL 475 HG13 VAL 475 -4.078 -0.104 0.410 318 HG21 VAL 475 HG21 VAL 475 -5.345 2.158 2.114 319 HG22 VAL 475 HG22 VAL 475 -6.030 0.561 1.813 320 HG23 VAL 475 HG23 VAL 475 -6.959 2.006 1.415 321 H ARG 476 H ARG 476 -3.180 4.005 -1.611 322 HA ARG 476 HA ARG 476 -3.945 3.106 -4.325 323 HB2 ARG 476 HB2 ARG 476 -2.288 5.530 -3.564 324 HB3 ARG 476 HB3 ARG 476 -2.728 5.054 -5.199 325 HG2 ARG 476 HG2 ARG 476 -5.107 5.401 -4.645 326 HG3 ARG 476 HG3 ARG 476 -4.642 5.929 -3.028 327 HD2 ARG 476 HD2 ARG 476 -3.327 7.769 -4.056 328 HD3 ARG 476 HD3 ARG 476 -3.907 7.261 -5.641 329 HE ARG 476 HE ARG 476 -5.988 7.852 -3.727 330 HH11 ARG 476 HH11 ARG 476 -3.967 9.115 -6.213 331 HH12 ARG 476 HH12 ARG 476 -5.014 10.451 -6.540 332 HH21 ARG 476 HH21 ARG 476 -7.328 9.608 -4.152 333 HH22 ARG 476 HH22 ARG 476 -6.881 10.727 -5.388 334 H VAL 477 H VAL 477 -2.447 1.990 -5.544 335 HA VAL 477 HA VAL 477 0.194 1.487 -4.302 336 HB VAL 477 HB VAL 477 -1.507 -0.454 -5.893 337 HG11 VAL 477 HG11 VAL 477 0.855 -0.786 -6.389 338 HG12 VAL 477 HG12 VAL 477 0.248 -2.112 -5.398 339 HG13 VAL 477 HG13 VAL 477 1.229 -0.842 -4.666 340 HG21 VAL 477 HG21 VAL 477 -0.704 -0.471 -2.977 341 HG22 VAL 477 HG22 VAL 477 -1.600 -1.747 -3.803 342 HG23 VAL 477 HG23 VAL 477 -2.318 -0.147 -3.611 343 H TYR 478 H TYR 478 1.946 1.841 -5.523 344 HA TYR 478 HA TYR 478 1.601 2.330 -8.422 345 HB2 TYR 478 HB2 TYR 478 3.621 3.699 -6.627 346 HB3 TYR 478 HB3 TYR 478 3.241 4.090 -8.301 347 HD1 TYR 478 HD1 TYR 478 1.063 5.186 -8.844 348 HD2 TYR 478 HD2 TYR 478 2.324 4.565 -4.822 349 HE1 TYR 478 HE1 TYR 478 -0.580 6.850 -8.073 350 HE2 TYR 478 HE2 TYR 478 0.686 6.221 -4.044 351 HH TYR 478 HH TYR 478 -0.526 8.169 -4.952 352 H ILE 479 H ILE 479 3.032 1.341 -9.784 353 HA ILE 479 HA ILE 479 5.401 0.018 -8.607 354 HB ILE 479 HB ILE 479 3.834 -0.852 -11.053 355 HG12 ILE 479 HG12 ILE 479 4.155 -2.123 -8.315 356 HG13 ILE 479 HG13 ILE 479 2.684 -1.403 -8.959 357 HG21 ILE 479 HG21 ILE 479 6.206 -1.264 -11.372 358 HG22 ILE 479 HG22 ILE 479 5.373 -2.791 -11.082 359 HG23 ILE 479 HG23 ILE 479 6.313 -2.041 -9.792 360 HD11 ILE 479 HD11 ILE 479 2.574 -3.808 -9.056 361 HD12 ILE 479 HD12 ILE 479 4.061 -3.869 -10.001 362 HD13 ILE 479 HD13 ILE 479 2.608 -3.138 -10.686 363 H ASN 480 H ASN 480 7.241 0.989 -9.159 364 HA ASN 480 HA ASN 480 8.702 2.446 -10.112 365 HB2 ASN 480 HB2 ASN 480 7.548 1.193 -12.619 366 HB3 ASN 480 HB3 ASN 480 8.982 2.219 -12.601 367 HD21 ASN 480 HD21 ASN 480 8.911 -0.481 -13.466 368 HD22 ASN 480 HD22 ASN 480 9.936 -1.383 -12.411 369 H GLY 481 H GLY 481 6.280 3.648 -9.345 370 HA2 GLY 481 HA2 GLY 481 5.615 5.893 -9.466 371 HA3 GLY 481 HA3 GLY 481 6.381 6.021 -11.037 372 H THR 482 H THR 482 4.755 3.407 -11.672 373 HA THR 482 HA THR 482 2.520 4.885 -12.846 374 HB THR 482 HB THR 482 3.349 1.992 -13.243 375 HG1 THR 482 HG1 THR 482 4.862 3.648 -13.999 376 HG21 THR 482 HG21 THR 482 0.987 2.355 -13.785 377 HG22 THR 482 HG22 THR 482 1.932 2.076 -15.249 378 HG23 THR 482 HG23 THR 482 1.427 3.711 -14.824 379 H LEU 483 H LEU 483 0.418 4.759 -12.161 380 HA LEU 483 HA LEU 483 -0.241 3.496 -9.712 381 HB2 LEU 483 HB2 LEU 483 -1.442 5.468 -10.511 382 HB3 LEU 483 HB3 LEU 483 -2.058 4.562 -11.882 383 HG LEU 483 HG LEU 483 -3.306 3.088 -10.295 384 HD11 LEU 483 HD11 LEU 483 -1.898 3.410 -8.326 385 HD12 LEU 483 HD12 LEU 483 -3.586 3.777 -7.979 386 HD13 LEU 483 HD13 LEU 483 -2.428 5.088 -8.212 387 HD21 LEU 483 HD21 LEU 483 -3.929 6.039 -10.096 388 HD22 LEU 483 HD22 LEU 483 -5.057 4.721 -9.778 389 HD23 LEU 483 HD23 LEU 483 -4.415 4.959 -11.402 390 H TYR 484 H TYR 484 -0.479 1.399 -9.362 391 HA TYR 484 HA TYR 484 -1.080 -0.429 -11.552 392 HB2 TYR 484 HB2 TYR 484 0.749 -1.063 -10.140 393 HB3 TYR 484 HB3 TYR 484 -0.214 -0.842 -8.684 394 HD1 TYR 484 HD1 TYR 484 0.282 -3.008 -11.649 395 HD2 TYR 484 HD2 TYR 484 -1.619 -2.586 -7.858 396 HE1 TYR 484 HE1 TYR 484 -0.346 -5.383 -11.702 397 HE2 TYR 484 HE2 TYR 484 -2.253 -4.960 -7.911 398 HH TYR 484 HH TYR 484 -2.602 -6.742 -9.529 399 H LYS 485 H LYS 485 -2.478 0.488 -8.414 400 HA LYS 485 HA LYS 485 -5.144 -0.133 -9.208 401 HB2 LYS 485 HB2 LYS 485 -4.242 -2.440 -8.850 402 HB3 LYS 485 HB3 LYS 485 -3.900 -2.016 -7.179 403 HG2 LYS 485 HG2 LYS 485 -6.256 -1.738 -6.719 404 HG3 LYS 485 HG3 LYS 485 -6.653 -1.994 -8.420 405 HD2 LYS 485 HD2 LYS 485 -5.786 -4.281 -8.282 406 HD3 LYS 485 HD3 LYS 485 -5.358 -4.025 -6.590 407 HE2 LYS 485 HE2 LYS 485 -7.450 -5.266 -6.779 408 HE3 LYS 485 HE3 LYS 485 -7.722 -3.690 -6.038 409 HZ1 LYS 485 HZ1 LYS 485 -8.491 -2.880 -8.199 410 HZ2 LYS 485 HZ2 LYS 485 -9.428 -4.175 -7.646 411 HZ3 LYS 485 HZ3 LYS 485 -8.279 -4.419 -8.862 412 H ASN 486 H ASN 486 -6.718 0.284 -7.420 413 HA ASN 486 HA ASN 486 -5.648 1.558 -5.030 414 HB2 ASN 486 HB2 ASN 486 -6.838 3.689 -5.424 415 HB3 ASN 486 HB3 ASN 486 -5.595 3.392 -6.638 416 HD21 ASN 486 HD21 ASN 486 -6.225 2.866 -8.747 417 HD22 ASN 486 HD22 ASN 486 -7.826 3.166 -9.317 418 H TRP 487 H TRP 487 -7.160 1.841 -3.362 419 HA TRP 487 HA TRP 487 -9.867 0.735 -3.787 420 HB2 TRP 487 HB2 TRP 487 -8.069 0.239 -1.392 421 HB3 TRP 487 HB3 TRP 487 -9.732 -0.303 -1.543 422 HD1 TRP 487 HD1 TRP 487 -10.197 -2.410 -3.133 423 HE1 TRP 487 HE1 TRP 487 -8.642 -4.273 -3.984 424 HE3 TRP 487 HE3 TRP 487 -5.684 -0.187 -2.221 425 HZ2 TRP 487 HZ2 TRP 487 -5.873 -4.737 -4.245 426 HZ3 TRP 487 HZ3 TRP 487 -3.631 -1.409 -2.797 427 HH2 TRP 487 HH2 TRP 487 -3.725 -3.640 -3.790 428 H THR 488 H THR 488 -11.522 1.841 -2.734 429 HA THR 488 HA THR 488 -10.735 3.989 -0.849 430 HB THR 488 HB THR 488 -13.392 3.690 -2.289 431 HG1 THR 488 HG1 THR 488 -11.460 4.268 -3.614 432 HG21 THR 488 HG21 THR 488 -12.247 5.975 -0.664 433 HG22 THR 488 HG22 THR 488 -13.554 4.901 -0.161 434 HG23 THR 488 HG23 THR 488 -13.786 5.994 -1.525 435 H VAL 489 H VAL 489 -11.070 3.531 1.267 436 HA VAL 489 HA VAL 489 -13.245 1.717 2.048 437 HB VAL 489 HB VAL 489 -11.741 0.397 3.506 438 HG11 VAL 489 HG11 VAL 489 -12.344 -0.504 1.326 439 HG12 VAL 489 HG12 VAL 489 -10.691 -0.962 1.743 440 HG13 VAL 489 HG13 VAL 489 -10.980 0.334 0.583 441 HG21 VAL 489 HG21 VAL 489 -9.946 2.058 3.761 442 HG22 VAL 489 HG22 VAL 489 -9.495 1.824 2.071 443 HG23 VAL 489 HG23 VAL 489 -9.316 0.500 3.223 444 H SER 490 H SER 490 -13.283 1.502 4.531 445 HA SER 490 HA SER 490 -12.577 4.077 5.802 446 HB2 SER 490 HB2 SER 490 -14.603 3.848 7.198 447 HB3 SER 490 HB3 SER 490 -15.010 3.905 5.483 448 HG SER 490 HG SER 490 -15.855 2.136 7.104 449 H LEU 491 H LEU 491 -11.449 3.977 7.680 450 HA LEU 491 HA LEU 491 -11.224 1.352 9.033 451 HB2 LEU 491 HB2 LEU 491 -9.156 3.542 8.769 452 HB3 LEU 491 HB3 LEU 491 -8.977 2.146 9.814 453 HG LEU 491 HG LEU 491 -9.212 2.048 6.798 454 HD11 LEU 491 HD11 LEU 491 -7.092 3.008 7.505 455 HD12 LEU 491 HD12 LEU 491 -6.850 1.386 6.856 456 HD13 LEU 491 HD13 LEU 491 -6.822 1.653 8.600 457 HD21 LEU 491 HD21 LEU 491 -8.643 -0.319 7.039 458 HD22 LEU 491 HD22 LEU 491 -10.149 0.059 7.877 459 HD23 LEU 491 HD23 LEU 491 -8.658 -0.153 8.796 460 H GLY 492 H GLY 492 -12.169 1.333 10.978 461 HA2 GLY 492 HA2 GLY 492 -12.910 3.774 12.325 462 HA3 GLY 492 HA3 GLY 492 -13.229 2.137 12.874 463 HA PRO 493 HA PRO 493 -10.036 4.225 15.650 464 HB2 PRO 493 HB2 PRO 493 -11.158 3.178 17.957 465 HB3 PRO 493 HB3 PRO 493 -11.523 4.772 17.292 466 HG2 PRO 493 HG2 PRO 493 -13.048 2.210 17.010 467 HG3 PRO 493 HG3 PRO 493 -13.658 3.854 17.277 468 HD2 PRO 493 HD2 PRO 493 -13.741 2.710 14.850 469 HD3 PRO 493 HD3 PRO 493 -13.405 4.445 15.041 470 H LYS 494 H LYS 494 -8.307 2.974 15.118 471 HA LYS 494 HA LYS 494 -6.749 1.345 15.216 472 HB2 LYS 494 HB2 LYS 494 -8.325 0.548 17.665 473 HB3 LYS 494 HB3 LYS 494 -6.806 -0.212 17.201 474 HG2 LYS 494 HG2 LYS 494 -5.666 1.947 17.364 475 HG3 LYS 494 HG3 LYS 494 -7.187 2.717 17.819 476 HD2 LYS 494 HD2 LYS 494 -7.285 1.414 19.857 477 HD3 LYS 494 HD3 LYS 494 -5.849 0.501 19.381 478 HE2 LYS 494 HE2 LYS 494 -4.502 2.532 19.487 479 HE3 LYS 494 HE3 LYS 494 -5.932 3.480 19.895 480 HZ1 LYS 494 HZ1 LYS 494 -6.122 2.347 21.960 481 HZ2 LYS 494 HZ2 LYS 494 -4.525 2.879 21.821 482 HZ3 LYS 494 HZ3 LYS 494 -4.899 1.251 21.558 483 H GLU 495 H GLU 495 -8.980 0.967 13.505 484 HA GLU 495 HA GLU 495 -9.361 -1.943 13.464 485 HB2 GLU 495 HB2 GLU 495 -11.306 -0.456 13.043 486 HB3 GLU 495 HB3 GLU 495 -10.484 0.197 11.634 487 HG2 GLU 495 HG2 GLU 495 -12.113 -1.411 10.926 488 HG3 GLU 495 HG3 GLU 495 -10.501 -2.050 10.614 489 H GLU 496 H GLU 496 -8.845 -3.193 11.532 490 HA GLU 496 HA GLU 496 -6.871 -1.959 9.719 491 HB2 GLU 496 HB2 GLU 496 -5.645 -3.208 11.471 492 HB3 GLU 496 HB3 GLU 496 -6.521 -4.668 11.033 493 HG2 GLU 496 HG2 GLU 496 -5.537 -4.562 8.776 494 HG3 GLU 496 HG3 GLU 496 -4.630 -3.130 9.253 495 H LYS 497 H LYS 497 -6.901 -2.667 7.618 496 HA LYS 497 HA LYS 497 -8.725 -4.885 6.913 497 HB2 LYS 497 HB2 LYS 497 -8.426 -2.194 5.589 498 HB3 LYS 497 HB3 LYS 497 -9.083 -3.583 4.727 499 HG2 LYS 497 HG2 LYS 497 -10.795 -3.807 6.516 500 HG3 LYS 497 HG3 LYS 497 -10.191 -2.307 7.221 501 HD2 LYS 497 HD2 LYS 497 -10.941 -1.019 5.415 502 HD3 LYS 497 HD3 LYS 497 -11.068 -2.419 4.347 503 HE2 LYS 497 HE2 LYS 497 -13.282 -1.724 4.994 504 HE3 LYS 497 HE3 LYS 497 -12.910 -3.275 5.745 505 HZ1 LYS 497 HZ1 LYS 497 -12.775 -0.631 7.098 506 HZ2 LYS 497 HZ2 LYS 497 -12.426 -2.127 7.811 507 HZ3 LYS 497 HZ3 LYS 497 -13.996 -1.783 7.296 508 H VAL 498 H VAL 498 -7.875 -6.428 5.620 509 HA VAL 498 HA VAL 498 -5.122 -6.039 4.652 510 HB VAL 498 HB VAL 498 -6.672 -8.621 4.978 511 HG11 VAL 498 HG11 VAL 498 -4.944 -8.814 3.278 512 HG12 VAL 498 HG12 VAL 498 -4.475 -9.710 4.722 513 HG13 VAL 498 HG13 VAL 498 -3.748 -8.140 4.384 514 HG21 VAL 498 HG21 VAL 498 -4.559 -7.393 6.757 515 HG22 VAL 498 HG22 VAL 498 -5.268 -8.996 6.962 516 HG23 VAL 498 HG23 VAL 498 -6.273 -7.558 7.136 517 H LEU 499 H LEU 499 -4.848 -5.586 2.578 518 HA LEU 499 HA LEU 499 -6.850 -6.477 0.596 519 HB2 LEU 499 HB2 LEU 499 -4.888 -4.180 0.399 520 HB3 LEU 499 HB3 LEU 499 -6.157 -4.569 -0.749 521 HG LEU 499 HG LEU 499 -6.664 -3.724 2.115 522 HD11 LEU 499 HD11 LEU 499 -6.852 -2.089 -0.416 523 HD12 LEU 499 HD12 LEU 499 -5.653 -1.890 0.860 524 HD13 LEU 499 HD13 LEU 499 -7.353 -1.565 1.192 525 HD21 LEU 499 HD21 LEU 499 -8.445 -5.106 1.157 526 HD22 LEU 499 HD22 LEU 499 -8.545 -4.025 -0.233 527 HD23 LEU 499 HD23 LEU 499 -8.980 -3.439 1.373 528 H THR 500 H THR 500 -6.129 -7.439 -1.355 529 HA THR 500 HA THR 500 -3.243 -8.007 -1.580 530 HB THR 500 HB THR 500 -3.878 -10.343 -2.409 531 HG1 THR 500 HG1 THR 500 -5.872 -11.017 -2.163 532 HG21 THR 500 HG21 THR 500 -3.904 -11.302 -0.159 533 HG22 THR 500 HG22 THR 500 -4.272 -9.715 0.519 534 HG23 THR 500 HG23 THR 500 -2.728 -9.995 -0.291 535 H PHE 501 H PHE 501 -2.463 -8.445 -3.648 536 HA PHE 501 HA PHE 501 -4.316 -8.382 -5.904 537 HB2 PHE 501 HB2 PHE 501 -2.961 -6.664 -7.092 538 HB3 PHE 501 HB3 PHE 501 -3.768 -6.040 -5.661 539 HD1 PHE 501 HD1 PHE 501 -0.517 -6.977 -7.116 540 HD2 PHE 501 HD2 PHE 501 -2.512 -5.235 -3.775 541 HE1 PHE 501 HE1 PHE 501 1.627 -6.095 -6.297 542 HE2 PHE 501 HE2 PHE 501 -0.368 -4.348 -2.958 543 HZ PHE 501 HZ PHE 501 1.702 -4.779 -4.215 544 H SER 502 H SER 502 -3.399 -9.175 -7.891 545 HA SER 502 HA SER 502 -0.992 -10.845 -7.481 546 HB2 SER 502 HB2 SER 502 -1.959 -12.287 -9.312 547 HB3 SER 502 HB3 SER 502 -2.909 -12.251 -7.828 548 HG SER 502 HG SER 502 -3.425 -10.637 -10.114 549 H TRP 503 H TRP 503 0.738 -10.140 -8.513 550 HA TRP 503 HA TRP 503 0.441 -8.512 -10.960 551 HB2 TRP 503 HB2 TRP 503 1.259 -7.157 -9.161 552 HB3 TRP 503 HB3 TRP 503 2.435 -8.376 -8.692 553 HD1 TRP 503 HD1 TRP 503 1.784 -6.350 -11.965 554 HE1 TRP 503 HE1 TRP 503 4.060 -5.492 -12.808 555 HE3 TRP 503 HE3 TRP 503 4.789 -8.320 -8.328 556 HZ2 TRP 503 HZ2 TRP 503 6.774 -5.625 -12.021 557 HZ3 TRP 503 HZ3 TRP 503 7.212 -7.909 -8.443 558 HH2 TRP 503 HH2 TRP 503 8.183 -6.589 -10.252 559 H THR 504 H THR 504 1.625 -9.046 -12.763 560 HA THR 504 HA THR 504 3.545 -11.289 -12.527 561 HB THR 504 HB THR 504 1.529 -10.879 -14.752 562 HG1 THR 504 HG1 THR 504 1.836 -12.859 -12.722 563 HG21 THR 504 HG21 THR 504 3.665 -11.694 -15.657 564 HG22 THR 504 HG22 THR 504 2.433 -12.955 -15.714 565 HG23 THR 504 HG23 THR 504 3.678 -12.995 -14.466 566 HA PRO 505 HA PRO 505 5.962 -8.111 -14.728 567 HB2 PRO 505 HB2 PRO 505 8.372 -8.836 -13.794 568 HB3 PRO 505 HB3 PRO 505 7.233 -7.917 -12.804 569 HG2 PRO 505 HG2 PRO 505 7.854 -10.847 -12.747 570 HG3 PRO 505 HG3 PRO 505 7.589 -9.731 -11.395 571 HD2 PRO 505 HD2 PRO 505 5.672 -11.454 -12.394 572 HD3 PRO 505 HD3 PRO 505 5.310 -9.965 -11.499 573 H THR 506 H THR 506 5.611 -8.972 -16.829 574 HA THR 506 HA THR 506 6.981 -11.348 -17.729 575 HB THR 506 HB THR 506 6.211 -10.780 -19.974 576 HG1 THR 506 HG1 THR 506 4.737 -8.707 -19.828 577 HG21 THR 506 HG21 THR 506 3.787 -10.742 -19.576 578 HG22 THR 506 HG22 THR 506 4.066 -10.253 -17.904 579 HG23 THR 506 HG23 THR 506 4.597 -11.840 -18.459 580 H GLN 507 H GLN 507 8.007 -8.244 -17.086 581 HA GLN 507 HA GLN 507 10.349 -8.500 -18.869 582 HB2 GLN 507 HB2 GLN 507 9.125 -6.468 -19.323 583 HB3 GLN 507 HB3 GLN 507 9.062 -6.065 -17.613 584 HG2 GLN 507 HG2 GLN 507 11.548 -5.842 -17.645 585 HG3 GLN 507 HG3 GLN 507 11.496 -6.079 -19.392 586 HE21 GLN 507 HE21 GLN 507 12.378 -4.028 -19.744 587 HE22 GLN 507 HE22 GLN 507 11.447 -2.589 -19.531 588 H GLU 508 H GLU 508 12.405 -8.438 -17.945 589 HA GLU 508 HA GLU 508 12.482 -8.845 -15.055 590 HB2 GLU 508 HB2 GLU 508 14.713 -9.722 -15.377 591 HB3 GLU 508 HB3 GLU 508 13.616 -10.465 -16.528 592 HG2 GLU 508 HG2 GLU 508 15.317 -10.055 -17.954 593 HG3 GLU 508 HG3 GLU 508 14.539 -8.479 -18.068 594 H GLY 509 H GLY 509 13.903 -7.706 -13.653 595 HA2 GLY 509 HA2 GLY 509 15.684 -5.827 -13.782 596 HA3 GLY 509 HA3 GLY 509 14.372 -4.933 -14.534 597 H MET 510 H MET 510 15.024 -3.528 -12.595 598 HA MET 510 HA MET 510 13.979 -4.404 -10.037 599 HB2 MET 510 HB2 MET 510 15.100 -1.739 -10.927 600 HB3 MET 510 HB3 MET 510 14.628 -2.120 -9.276 601 HG2 MET 510 HG2 MET 510 16.808 -3.461 -10.864 602 HG3 MET 510 HG3 MET 510 17.023 -2.318 -9.540 603 HE1 MET 510 HE1 MET 510 15.637 -4.372 -6.485 604 HE2 MET 510 HE2 MET 510 14.709 -3.284 -7.518 605 HE3 MET 510 HE3 MET 510 16.340 -2.842 -7.008 606 H TYR 511 H TYR 511 11.987 -4.133 -9.315 607 HA TYR 511 HA TYR 511 10.282 -2.003 -10.453 608 HB2 TYR 511 HB2 TYR 511 9.531 -4.844 -9.736 609 HB3 TYR 511 HB3 TYR 511 8.335 -3.573 -9.964 610 HD1 TYR 511 HD1 TYR 511 10.946 -5.576 -11.677 611 HD2 TYR 511 HD2 TYR 511 7.687 -2.873 -12.141 612 HE1 TYR 511 HE1 TYR 511 10.920 -6.030 -14.093 613 HE2 TYR 511 HE2 TYR 511 7.651 -3.323 -14.554 614 HH TYR 511 HH TYR 511 9.290 -4.134 -16.306 615 H ARG 512 H ARG 512 10.015 -0.506 -8.907 616 HA ARG 512 HA ARG 512 9.971 -1.302 -6.092 617 HB2 ARG 512 HB2 ARG 512 11.406 0.559 -6.625 618 HB3 ARG 512 HB3 ARG 512 10.086 1.417 -7.410 619 HG2 ARG 512 HG2 ARG 512 8.969 1.754 -5.310 620 HG3 ARG 512 HG3 ARG 512 10.123 0.708 -4.478 621 HD2 ARG 512 HD2 ARG 512 10.823 3.307 -5.850 622 HD3 ARG 512 HD3 ARG 512 10.560 3.117 -4.115 623 HE ARG 512 HE ARG 512 12.457 1.356 -4.403 624 HH11 ARG 512 HH11 ARG 512 12.236 4.396 -6.011 625 HH12 ARG 512 HH12 ARG 512 13.947 4.588 -6.111 626 HH21 ARG 512 HH21 ARG 512 14.627 1.580 -4.565 627 HH22 ARG 512 HH22 ARG 512 15.303 2.989 -5.312 628 H ILE 513 H ILE 513 8.103 -1.815 -5.212 629 HA ILE 513 HA ILE 513 5.598 -0.644 -6.182 630 HB ILE 513 HB ILE 513 6.047 -2.883 -4.187 631 HG12 ILE 513 HG12 ILE 513 5.220 -2.986 -7.106 632 HG13 ILE 513 HG13 ILE 513 6.785 -3.476 -6.463 633 HG21 ILE 513 HG21 ILE 513 3.501 -1.935 -5.509 634 HG22 ILE 513 HG22 ILE 513 3.930 -1.728 -3.811 635 HG23 ILE 513 HG23 ILE 513 3.653 -3.345 -4.460 636 HD11 ILE 513 HD11 ILE 513 4.136 -4.777 -5.855 637 HD12 ILE 513 HD12 ILE 513 5.700 -5.263 -5.197 638 HD13 ILE 513 HD13 ILE 513 5.390 -5.399 -6.927 639 H ASN 514 H ASN 514 4.556 0.918 -5.097 640 HA ASN 514 HA ASN 514 5.261 1.427 -2.272 641 HB2 ASN 514 HB2 ASN 514 4.732 3.452 -4.462 642 HB3 ASN 514 HB3 ASN 514 4.827 3.861 -2.752 643 HD21 ASN 514 HD21 ASN 514 6.815 3.727 -1.699 644 HD22 ASN 514 HD22 ASN 514 8.299 3.679 -2.573 645 H ALA 515 H ALA 515 3.594 1.501 -0.886 646 HA ALA 515 HA ALA 515 0.865 1.854 -1.973 647 HB1 ALA 515 HB1 ALA 515 1.197 -0.316 -0.875 648 HB2 ALA 515 HB2 ALA 515 0.035 0.683 0.001 649 HB3 ALA 515 HB3 ALA 515 1.685 0.509 0.605 650 H THR 516 H THR 516 -0.350 3.530 -1.254 651 HA THR 516 HA THR 516 0.651 5.132 1.017 652 HB THR 516 HB THR 516 0.139 7.209 -0.207 653 HG1 THR 516 HG1 THR 516 -0.144 6.860 -2.593 654 HG21 THR 516 HG21 THR 516 1.978 7.146 -1.847 655 HG22 THR 516 HG22 THR 516 2.009 5.386 -1.741 656 HG23 THR 516 HG23 THR 516 2.434 6.362 -0.334 657 H VAL 517 H VAL 517 -0.921 5.968 2.353 658 HA VAL 517 HA VAL 517 -3.723 5.490 1.557 659 HB VAL 517 HB VAL 517 -3.135 4.292 3.582 660 HG11 VAL 517 HG11 VAL 517 -2.402 6.969 4.762 661 HG12 VAL 517 HG12 VAL 517 -1.276 5.678 4.342 662 HG13 VAL 517 HG13 VAL 517 -2.455 5.435 5.630 663 HG21 VAL 517 HG21 VAL 517 -5.400 5.165 3.410 664 HG22 VAL 517 HG22 VAL 517 -4.894 6.670 4.175 665 HG23 VAL 517 HG23 VAL 517 -4.860 5.163 5.090 666 H ASP 518 H ASP 518 -5.198 7.101 1.609 667 HA ASP 518 HA ASP 518 -5.840 9.197 0.981 668 HB2 ASP 518 HB2 ASP 518 -6.203 8.964 3.500 669 HB3 ASP 518 HB3 ASP 518 -4.797 10.002 3.696 670 H GLU 519 H GLU 519 -3.816 9.105 -0.537 671 HA GLU 519 HA GLU 519 -1.628 10.783 -0.288 672 HB2 GLU 519 HB2 GLU 519 -3.388 10.159 -2.661 673 HB3 GLU 519 HB3 GLU 519 -1.963 11.175 -2.814 674 HG2 GLU 519 HG2 GLU 519 -1.675 8.489 -1.555 675 HG3 GLU 519 HG3 GLU 519 -1.879 8.591 -3.303 676 H GLU 520 H GLU 520 -4.970 11.587 -0.828 677 HA GLU 520 HA GLU 520 -4.600 14.318 -1.556 678 HB2 GLU 520 HB2 GLU 520 -7.043 12.868 -0.503 679 HB3 GLU 520 HB3 GLU 520 -7.049 14.454 -1.268 680 HG2 GLU 520 HG2 GLU 520 -6.352 13.514 -3.364 681 HG3 GLU 520 HG3 GLU 520 -6.115 11.930 -2.628 682 H ASN 521 H ASN 521 -4.732 12.620 1.454 683 HA ASN 521 HA ASN 521 -4.872 13.221 3.633 684 HB2 ASN 521 HB2 ASN 521 -3.467 15.631 2.476 685 HB3 ASN 521 HB3 ASN 521 -3.740 15.442 4.207 686 HD21 ASN 521 HD21 ASN 521 -3.360 12.636 4.341 687 HD22 ASN 521 HD22 ASN 521 -1.686 12.329 4.080 688 H THR 522 H THR 522 -7.223 13.294 2.688 689 HA THR 522 HA THR 522 -8.610 15.804 2.750 690 HB THR 522 HB THR 522 -10.660 14.454 2.653 691 HG1 THR 522 HG1 THR 522 -8.868 12.260 3.070 692 HG21 THR 522 HG21 THR 522 -10.211 13.233 0.565 693 HG22 THR 522 HG22 THR 522 -8.477 13.365 0.862 694 HG23 THR 522 HG23 THR 522 -9.434 14.817 0.562 695 H VAL 523 H VAL 523 -7.344 13.901 5.188 696 HA VAL 523 HA VAL 523 -8.998 15.292 7.184 697 HB VAL 523 HB VAL 523 -9.718 12.925 7.039 698 HG11 VAL 523 HG11 VAL 523 -7.640 11.881 6.353 699 HG12 VAL 523 HG12 VAL 523 -8.224 11.137 7.843 700 HG13 VAL 523 HG13 VAL 523 -6.892 12.292 7.897 701 HG21 VAL 523 HG21 VAL 523 -9.595 12.440 9.444 702 HG22 VAL 523 HG22 VAL 523 -9.961 14.137 9.133 703 HG23 VAL 523 HG23 VAL 523 -8.334 13.661 9.621 704 H VAL 524 H VAL 524 -7.899 16.015 9.033 705 HA VAL 524 HA VAL 524 -5.041 16.338 8.682 706 HB VAL 524 HB VAL 524 -6.803 17.318 10.947 707 HG11 VAL 524 HG11 VAL 524 -4.446 17.283 11.557 708 HG12 VAL 524 HG12 VAL 524 -4.997 18.945 11.349 709 HG13 VAL 524 HG13 VAL 524 -4.028 18.172 10.092 710 HG21 VAL 524 HG21 VAL 524 -5.945 18.740 8.416 711 HG22 VAL 524 HG22 VAL 524 -6.827 19.471 9.760 712 HG23 VAL 524 HG23 VAL 524 -7.577 18.193 8.803 713 H GLU 525 H GLU 525 -3.700 14.777 9.301 714 HA GLU 525 HA GLU 525 -4.436 12.957 11.484 715 HB2 GLU 525 HB2 GLU 525 -2.278 12.734 9.372 716 HB3 GLU 525 HB3 GLU 525 -2.671 11.498 10.562 717 HG2 GLU 525 HG2 GLU 525 -4.826 11.144 9.587 718 HG3 GLU 525 HG3 GLU 525 -4.629 12.530 8.516 719 H LEU 526 H LEU 526 -2.389 12.020 12.641 720 HA LEU 526 HA LEU 526 -1.045 14.246 13.941 721 HB2 LEU 526 HB2 LEU 526 -0.989 11.271 14.458 722 HB3 LEU 526 HB3 LEU 526 -0.129 12.450 15.429 723 HG LEU 526 HG LEU 526 -3.134 12.364 15.089 724 HD11 LEU 526 HD11 LEU 526 -3.190 11.552 17.390 725 HD12 LEU 526 HD12 LEU 526 -1.427 11.495 17.422 726 HD13 LEU 526 HD13 LEU 526 -2.326 10.431 16.338 727 HD21 LEU 526 HD21 LEU 526 -1.391 14.027 16.917 728 HD22 LEU 526 HD22 LEU 526 -3.157 13.997 16.915 729 HD23 LEU 526 HD23 LEU 526 -2.285 14.614 15.514 730 H ASN 527 H ASN 527 -0.133 11.521 11.860 731 HA ASN 527 HA ASN 527 2.518 12.727 11.492 732 HB2 ASN 527 HB2 ASN 527 2.913 11.135 13.244 733 HB3 ASN 527 HB3 ASN 527 2.003 9.888 12.398 734 HD21 ASN 527 HD21 ASN 527 2.957 8.784 10.732 735 HD22 ASN 527 HD22 ASN 527 4.657 8.849 10.431 736 H GLU 528 H GLU 528 2.902 12.926 9.384 737 HA GLU 528 HA GLU 528 1.390 11.322 7.456 738 HB2 GLU 528 HB2 GLU 528 2.145 12.953 5.798 739 HB3 GLU 528 HB3 GLU 528 1.414 13.757 7.183 740 HG2 GLU 528 HG2 GLU 528 3.589 14.350 8.047 741 HG3 GLU 528 HG3 GLU 528 4.384 13.429 6.772 742 H ASN 529 H ASN 529 3.974 10.480 9.000 743 HA ASN 529 HA ASN 529 5.842 10.045 6.794 744 HB2 ASN 529 HB2 ASN 529 6.085 9.341 9.730 745 HB3 ASN 529 HB3 ASN 529 7.371 9.194 8.533 746 HD21 ASN 529 HD21 ASN 529 7.279 10.790 10.964 747 HD22 ASN 529 HD22 ASN 529 7.535 12.424 10.468 748 H ASN 530 H ASN 530 3.476 8.244 8.596 749 HA ASN 530 HA ASN 530 4.589 5.677 7.699 750 HB2 ASN 530 HB2 ASN 530 2.919 4.673 9.275 751 HB3 ASN 530 HB3 ASN 530 4.088 5.736 10.049 752 HD21 ASN 530 HD21 ASN 530 1.545 4.991 11.093 753 HD22 ASN 530 HD22 ASN 530 0.606 6.433 11.245 754 H ASN 531 H ASN 531 2.360 7.912 6.636 755 HA ASN 531 HA ASN 531 0.251 6.350 5.638 756 HB2 ASN 531 HB2 ASN 531 1.448 8.919 4.566 757 HB3 ASN 531 HB3 ASN 531 -0.083 8.234 4.027 758 HD21 ASN 531 HD21 ASN 531 -1.879 8.613 5.212 759 HD22 ASN 531 HD22 ASN 531 -1.908 9.501 6.691 760 H VAL 532 H VAL 532 3.522 6.661 4.527 761 HA VAL 532 HA VAL 532 2.840 5.300 1.989 762 HB VAL 532 HB VAL 532 5.271 7.026 2.544 763 HG11 VAL 532 HG11 VAL 532 4.283 5.777 -0.030 764 HG12 VAL 532 HG12 VAL 532 5.714 5.299 0.882 765 HG13 VAL 532 HG13 VAL 532 5.649 6.885 0.114 766 HG21 VAL 532 HG21 VAL 532 4.220 8.675 1.038 767 HG22 VAL 532 HG22 VAL 532 3.270 8.406 2.500 768 HG23 VAL 532 HG23 VAL 532 2.766 7.676 0.975 769 H ALA 533 H ALA 533 3.809 3.386 1.521 770 HA ALA 533 HA ALA 533 6.097 2.506 3.175 771 HB1 ALA 533 HB1 ALA 533 3.807 0.779 2.222 772 HB2 ALA 533 HB2 ALA 533 4.095 1.301 3.884 773 HB3 ALA 533 HB3 ALA 533 5.234 0.211 3.091 774 H THR 534 H THR 534 7.849 1.938 2.028 775 HA THR 534 HA THR 534 7.580 1.603 -0.892 776 HB THR 534 HB THR 534 10.062 2.277 0.717 777 HG1 THR 534 HG1 THR 534 8.870 4.098 0.765 778 HG21 THR 534 HG21 THR 534 11.065 2.821 -1.459 779 HG22 THR 534 HG22 THR 534 9.595 2.288 -2.275 780 HG23 THR 534 HG23 THR 534 10.584 1.125 -1.390 781 H PHE 535 H PHE 535 8.111 -0.280 -1.870 782 HA PHE 535 HA PHE 535 9.801 -2.229 -0.455 783 HB2 PHE 535 HB2 PHE 535 7.378 -2.769 -0.064 784 HB3 PHE 535 HB3 PHE 535 7.183 -2.955 -1.801 785 HD1 PHE 535 HD1 PHE 535 8.913 -4.325 1.173 786 HD2 PHE 535 HD2 PHE 535 7.769 -4.988 -2.878 787 HE1 PHE 535 HE1 PHE 535 9.571 -6.687 1.373 788 HE2 PHE 535 HE2 PHE 535 8.423 -7.351 -2.679 789 HZ PHE 535 HZ PHE 535 9.326 -8.204 -0.550 790 H ASP 536 H ASP 536 11.455 -2.700 -1.771 791 HA ASP 536 HA ASP 536 11.182 -2.330 -4.659 792 HB2 ASP 536 HB2 ASP 536 13.579 -2.693 -2.856 793 HB3 ASP 536 HB3 ASP 536 13.705 -2.680 -4.612 794 H VAL 537 H VAL 537 10.988 -3.950 -6.057 795 HA VAL 537 HA VAL 537 11.562 -6.712 -5.175 796 HB VAL 537 HB VAL 537 9.662 -5.812 -7.359 797 HG11 VAL 537 HG11 VAL 537 10.106 -8.549 -6.154 798 HG12 VAL 537 HG12 VAL 537 10.592 -8.034 -7.769 799 HG13 VAL 537 HG13 VAL 537 8.881 -8.137 -7.355 800 HG21 VAL 537 HG21 VAL 537 9.059 -6.781 -4.560 801 HG22 VAL 537 HG22 VAL 537 7.860 -6.483 -5.819 802 HG23 VAL 537 HG23 VAL 537 8.815 -5.146 -5.177 803 H SER 538 H SER 538 12.936 -7.964 -6.363 804 HA SER 538 HA SER 538 14.141 -6.782 -8.787 805 HB2 SER 538 HB2 SER 538 15.757 -7.234 -6.998 806 HB3 SER 538 HB3 SER 538 15.244 -8.922 -6.938 807 HG SER 538 HG SER 538 17.113 -7.867 -8.461 808 H VAL 539 H VAL 539 13.613 -7.652 -10.694 809 HA VAL 539 HA VAL 539 12.491 -10.381 -10.742 810 HB VAL 539 HB VAL 539 12.160 -8.222 -12.841 811 HG11 VAL 539 HG11 VAL 539 10.776 -10.888 -12.489 812 HG12 VAL 539 HG12 VAL 539 11.948 -10.477 -13.742 813 HG13 VAL 539 HG13 VAL 539 10.377 -9.677 -13.710 814 HG21 VAL 539 HG21 VAL 539 11.064 -7.542 -10.770 815 HG22 VAL 539 HG22 VAL 539 10.241 -9.099 -10.671 816 HG23 VAL 539 HG23 VAL 539 9.861 -7.982 -11.982 817 H VAL 540 H VAL 540 13.495 -11.963 -11.836 818 HA VAL 540 HA VAL 540 15.767 -11.253 -13.592 819 HB VAL 540 HB VAL 540 16.926 -13.303 -12.751 820 HG11 VAL 540 HG11 VAL 540 17.533 -11.097 -11.901 821 HG12 VAL 540 HG12 VAL 540 17.663 -12.308 -10.626 822 HG13 VAL 540 HG13 VAL 540 16.282 -11.210 -10.663 823 HG21 VAL 540 HG21 VAL 540 16.167 -14.282 -10.610 824 HG22 VAL 540 HG22 VAL 540 14.999 -14.531 -11.909 825 HG23 VAL 540 HG23 VAL 540 14.709 -13.291 -10.689 826 H LEU 541 H LEU 541 16.423 -12.998 -15.103 827 HA LEU 541 HA LEU 541 14.138 -14.051 -16.496 828 HB2 LEU 541 HB2 LEU 541 17.103 -14.362 -16.999 829 HB3 LEU 541 HB3 LEU 541 15.851 -14.955 -18.079 830 HG LEU 541 HG LEU 541 16.301 -12.045 -17.370 831 HD11 LEU 541 HD11 LEU 541 17.120 -11.816 -19.655 832 HD12 LEU 541 HD12 LEU 541 16.934 -13.551 -19.910 833 HD13 LEU 541 HD13 LEU 541 18.111 -12.952 -18.740 834 HD21 LEU 541 HD21 LEU 541 13.961 -12.511 -17.872 835 HD22 LEU 541 HD22 LEU 541 14.427 -13.327 -19.365 836 HD23 LEU 541 HD23 LEU 541 14.704 -11.595 -19.182 837 H GLU 542 H GLU 542 16.054 -15.250 -13.999 838 HA GLU 542 HA GLU 542 15.622 -18.064 -14.694 839 HB2 GLU 542 HB2 GLU 542 17.027 -18.412 -12.551 840 HB3 GLU 542 HB3 GLU 542 17.826 -17.785 -13.985 841 HG2 GLU 542 HG2 GLU 542 17.769 -15.544 -13.099 842 HG3 GLU 542 HG3 GLU 542 16.827 -16.080 -11.710 Start of MODEL 10 1 H1 MET 435 H1 MET 435 -9.063 15.716 22.395 2 H2 MET 435 H2 MET 435 -10.356 15.095 21.503 3 H3 MET 435 H3 MET 435 -10.418 16.681 22.087 4 HA MET 435 HA MET 435 -9.950 16.701 19.746 5 HB2 MET 435 HB2 MET 435 -8.868 18.343 21.378 6 HB3 MET 435 HB3 MET 435 -7.407 17.378 21.243 7 HG2 MET 435 HG2 MET 435 -7.290 17.852 18.862 8 HG3 MET 435 HG3 MET 435 -8.798 18.766 18.958 9 HE1 MET 435 HE1 MET 435 -7.738 20.903 17.866 10 HE2 MET 435 HE2 MET 435 -6.202 20.060 17.672 11 HE3 MET 435 HE3 MET 435 -6.242 21.658 18.416 12 H GLU 436 H GLU 436 -9.926 14.572 18.906 13 HA GLU 436 HA GLU 436 -7.397 13.074 19.119 14 HB2 GLU 436 HB2 GLU 436 -10.202 12.138 18.465 15 HB3 GLU 436 HB3 GLU 436 -8.784 11.104 18.427 16 HG2 GLU 436 HG2 GLU 436 -10.034 10.778 20.476 17 HG3 GLU 436 HG3 GLU 436 -8.446 11.457 20.821 18 H PHE 437 H PHE 437 -6.176 12.685 17.375 19 HA PHE 437 HA PHE 437 -7.268 13.311 14.701 20 HB2 PHE 437 HB2 PHE 437 -4.358 13.358 15.556 21 HB3 PHE 437 HB3 PHE 437 -5.007 13.877 14.004 22 HD1 PHE 437 HD1 PHE 437 -6.187 15.998 13.790 23 HD2 PHE 437 HD2 PHE 437 -4.581 14.733 17.529 24 HE1 PHE 437 HE1 PHE 437 -6.450 18.279 14.677 25 HE2 PHE 437 HE2 PHE 437 -4.840 17.011 18.416 26 HZ PHE 437 HZ PHE 437 -5.777 18.784 16.993 27 HA PRO 438 HA PRO 438 -6.564 9.002 13.772 28 HB2 PRO 438 HB2 PRO 438 -6.718 9.095 11.062 29 HB3 PRO 438 HB3 PRO 438 -8.135 9.243 12.110 30 HG2 PRO 438 HG2 PRO 438 -6.571 11.387 10.728 31 HG3 PRO 438 HG3 PRO 438 -8.324 11.225 10.916 32 HD2 PRO 438 HD2 PRO 438 -6.791 12.878 12.462 33 HD3 PRO 438 HD3 PRO 438 -8.305 12.143 13.026 34 H ASP 439 H ASP 439 -5.160 7.633 12.311 35 HA ASP 439 HA ASP 439 -2.691 8.821 11.370 36 HB2 ASP 439 HB2 ASP 439 -2.278 8.533 13.800 37 HB3 ASP 439 HB3 ASP 439 -2.670 6.824 13.660 38 H LEU 440 H LEU 440 -3.308 7.984 9.360 39 HA LEU 440 HA LEU 440 -3.957 5.146 9.129 40 HB2 LEU 440 HB2 LEU 440 -3.851 7.320 7.028 41 HB3 LEU 440 HB3 LEU 440 -4.448 5.689 6.776 42 HG LEU 440 HG LEU 440 -5.682 7.675 8.694 43 HD11 LEU 440 HD11 LEU 440 -5.913 8.464 6.405 44 HD12 LEU 440 HD12 LEU 440 -7.467 7.915 7.033 45 HD13 LEU 440 HD13 LEU 440 -6.559 6.899 5.911 46 HD21 LEU 440 HD21 LEU 440 -7.562 6.113 8.740 47 HD22 LEU 440 HD22 LEU 440 -6.081 5.336 9.298 48 HD23 LEU 440 HD23 LEU 440 -6.687 5.014 7.675 49 H THR 441 H THR 441 -2.320 3.737 8.998 50 HA THR 441 HA THR 441 0.002 4.449 7.308 51 HB THR 441 HB THR 441 0.677 4.300 9.656 52 HG1 THR 441 HG1 THR 441 2.355 3.650 8.493 53 HG21 THR 441 HG21 THR 441 -1.018 2.739 10.475 54 HG22 THR 441 HG22 THR 441 0.603 2.157 10.852 55 HG23 THR 441 HG23 THR 441 -0.301 1.442 9.517 56 H VAL 442 H VAL 442 1.102 2.632 6.280 57 HA VAL 442 HA VAL 442 -0.638 0.317 5.746 58 HB VAL 442 HB VAL 442 -0.160 0.456 3.331 59 HG11 VAL 442 HG11 VAL 442 -2.221 1.462 4.246 60 HG12 VAL 442 HG12 VAL 442 -1.660 2.279 2.788 61 HG13 VAL 442 HG13 VAL 442 -1.392 3.014 4.370 62 HG21 VAL 442 HG21 VAL 442 1.958 1.682 3.440 63 HG22 VAL 442 HG22 VAL 442 1.105 3.127 3.980 64 HG23 VAL 442 HG23 VAL 442 0.817 2.485 2.362 65 H GLU 443 H GLU 443 0.427 -1.588 5.162 66 HA GLU 443 HA GLU 443 3.389 -1.545 5.243 67 HB2 GLU 443 HB2 GLU 443 1.532 -3.633 6.391 68 HB3 GLU 443 HB3 GLU 443 3.267 -3.802 6.300 69 HG2 GLU 443 HG2 GLU 443 3.558 -1.943 7.827 70 HG3 GLU 443 HG3 GLU 443 1.812 -1.681 7.868 71 H ILE 444 H ILE 444 4.425 -2.613 3.624 72 HA ILE 444 HA ILE 444 2.814 -4.230 1.753 73 HB ILE 444 HB ILE 444 5.577 -3.065 1.316 74 HG12 ILE 444 HG12 ILE 444 2.895 -2.109 0.268 75 HG13 ILE 444 HG13 ILE 444 3.850 -1.305 1.511 76 HG21 ILE 444 HG21 ILE 444 3.655 -4.386 -0.612 77 HG22 ILE 444 HG22 ILE 444 5.159 -5.079 -0.003 78 HG23 ILE 444 HG23 ILE 444 5.202 -3.654 -1.042 79 HD11 ILE 444 HD11 ILE 444 4.645 -1.709 -1.366 80 HD12 ILE 444 HD12 ILE 444 5.632 -0.932 -0.126 81 HD13 ILE 444 HD13 ILE 444 4.105 -0.204 -0.623 82 H LYS 445 H LYS 445 3.068 -6.379 1.758 83 HA LYS 445 HA LYS 445 5.556 -7.556 2.837 84 HB2 LYS 445 HB2 LYS 445 3.756 -7.549 4.555 85 HB3 LYS 445 HB3 LYS 445 2.733 -8.466 3.463 86 HG2 LYS 445 HG2 LYS 445 3.681 -9.934 5.111 87 HG3 LYS 445 HG3 LYS 445 4.353 -10.319 3.526 88 HD2 LYS 445 HD2 LYS 445 6.407 -9.168 4.062 89 HD3 LYS 445 HD3 LYS 445 5.732 -8.586 5.586 90 HE2 LYS 445 HE2 LYS 445 7.230 -10.491 5.941 91 HE3 LYS 445 HE3 LYS 445 5.578 -10.876 6.413 92 HZ1 LYS 445 HZ1 LYS 445 6.857 -11.660 3.850 93 HZ2 LYS 445 HZ2 LYS 445 5.286 -12.055 4.334 94 HZ3 LYS 445 HZ3 LYS 445 6.616 -12.676 5.175 95 H GLY 446 H GLY 446 6.381 -9.204 1.601 96 HA2 GLY 446 HA2 GLY 446 5.044 -11.166 0.211 97 HA3 GLY 446 HA3 GLY 446 5.114 -9.817 -0.910 98 HA PRO 447 HA PRO 447 8.959 -12.522 -1.269 99 HB2 PRO 447 HB2 PRO 447 8.782 -12.944 -3.961 100 HB3 PRO 447 HB3 PRO 447 7.996 -13.977 -2.761 101 HG2 PRO 447 HG2 PRO 447 6.829 -11.740 -4.386 102 HG3 PRO 447 HG3 PRO 447 6.151 -13.343 -4.038 103 HD2 PRO 447 HD2 PRO 447 5.371 -11.131 -2.690 104 HD3 PRO 447 HD3 PRO 447 5.454 -12.727 -1.914 105 H ASP 448 H ASP 448 10.909 -11.630 -1.585 106 HA ASP 448 HA ASP 448 11.173 -8.949 -2.544 107 HB2 ASP 448 HB2 ASP 448 13.269 -10.988 -1.755 108 HB3 ASP 448 HB3 ASP 448 13.597 -9.289 -2.088 109 H VAL 449 H VAL 449 11.980 -12.133 -3.867 110 HA VAL 449 HA VAL 449 12.766 -10.825 -6.403 111 HB VAL 449 HB VAL 449 13.832 -13.451 -5.322 112 HG11 VAL 449 HG11 VAL 449 14.567 -11.897 -7.810 113 HG12 VAL 449 HG12 VAL 449 13.728 -13.448 -7.752 114 HG13 VAL 449 HG13 VAL 449 15.406 -13.333 -7.219 115 HG21 VAL 449 HG21 VAL 449 14.717 -11.567 -4.051 116 HG22 VAL 449 HG22 VAL 449 15.186 -10.754 -5.545 117 HG23 VAL 449 HG23 VAL 449 15.975 -12.262 -5.074 118 H VAL 450 H VAL 450 11.687 -11.435 -8.204 119 HA VAL 450 HA VAL 450 10.143 -13.944 -8.189 120 HB VAL 450 HB VAL 450 8.234 -12.826 -9.296 121 HG11 VAL 450 HG11 VAL 450 8.170 -13.213 -6.882 122 HG12 VAL 450 HG12 VAL 450 7.311 -11.734 -7.310 123 HG13 VAL 450 HG13 VAL 450 8.924 -11.643 -6.600 124 HG21 VAL 450 HG21 VAL 450 9.699 -10.263 -8.638 125 HG22 VAL 450 HG22 VAL 450 8.052 -10.374 -9.265 126 HG23 VAL 450 HG23 VAL 450 9.410 -10.910 -10.254 127 H GLY 451 H GLY 451 9.410 -14.596 -10.391 128 HA2 GLY 451 HA2 GLY 451 11.533 -14.031 -12.347 129 HA3 GLY 451 HA3 GLY 451 10.446 -15.406 -12.369 130 H VAL 452 H VAL 452 11.040 -13.760 -14.605 131 HA VAL 452 HA VAL 452 9.049 -11.816 -15.105 132 HB VAL 452 HB VAL 452 11.138 -11.971 -16.411 133 HG11 VAL 452 HG11 VAL 452 9.896 -14.417 -17.672 134 HG12 VAL 452 HG12 VAL 452 11.289 -14.404 -16.589 135 HG13 VAL 452 HG13 VAL 452 11.398 -13.639 -18.175 136 HG21 VAL 452 HG21 VAL 452 8.624 -12.187 -18.075 137 HG22 VAL 452 HG22 VAL 452 10.164 -11.533 -18.634 138 HG23 VAL 452 HG23 VAL 452 9.277 -10.721 -17.345 139 H ASN 453 H ASN 453 7.030 -11.932 -16.000 140 HA ASN 453 HA ASN 453 5.008 -12.750 -16.596 141 HB2 ASN 453 HB2 ASN 453 6.743 -14.905 -17.813 142 HB3 ASN 453 HB3 ASN 453 4.994 -14.852 -18.025 143 HD21 ASN 453 HD21 ASN 453 7.220 -14.535 -19.964 144 HD22 ASN 453 HD22 ASN 453 6.910 -13.027 -20.746 145 H LYS 454 H LYS 454 6.520 -13.813 -14.064 146 HA LYS 454 HA LYS 454 4.808 -16.112 -13.463 147 HB2 LYS 454 HB2 LYS 454 7.050 -14.788 -11.926 148 HB3 LYS 454 HB3 LYS 454 6.080 -16.100 -11.273 149 HG2 LYS 454 HG2 LYS 454 7.780 -16.258 -13.762 150 HG3 LYS 454 HG3 LYS 454 8.226 -16.881 -12.172 151 HD2 LYS 454 HD2 LYS 454 5.892 -17.798 -13.868 152 HD3 LYS 454 HD3 LYS 454 7.396 -18.680 -13.595 153 HE2 LYS 454 HE2 LYS 454 6.854 -18.733 -11.162 154 HE3 LYS 454 HE3 LYS 454 5.301 -17.982 -11.530 155 HZ1 LYS 454 HZ1 LYS 454 4.762 -19.899 -12.914 156 HZ2 LYS 454 HZ2 LYS 454 5.082 -20.363 -11.322 157 HZ3 LYS 454 HZ3 LYS 454 6.240 -20.622 -12.525 158 H LEU 455 H LEU 455 3.354 -16.141 -11.700 159 HA LEU 455 HA LEU 455 2.150 -13.532 -11.153 160 HB2 LEU 455 HB2 LEU 455 0.794 -15.484 -11.959 161 HB3 LEU 455 HB3 LEU 455 1.135 -16.291 -10.440 162 HG LEU 455 HG LEU 455 -0.033 -14.449 -9.236 163 HD11 LEU 455 HD11 LEU 455 -1.413 -12.881 -10.524 164 HD12 LEU 455 HD12 LEU 455 -0.718 -13.503 -12.020 165 HD13 LEU 455 HD13 LEU 455 0.306 -12.666 -10.853 166 HD21 LEU 455 HD21 LEU 455 -1.693 -15.791 -11.376 167 HD22 LEU 455 HD22 LEU 455 -2.291 -15.117 -9.860 168 HD23 LEU 455 HD23 LEU 455 -1.219 -16.516 -9.840 169 H ALA 456 H ALA 456 2.727 -12.467 -9.357 170 HA ALA 456 HA ALA 456 3.377 -14.027 -6.923 171 HB1 ALA 456 HB1 ALA 456 4.526 -11.356 -7.749 172 HB2 ALA 456 HB2 ALA 456 5.355 -12.910 -7.838 173 HB3 ALA 456 HB3 ALA 456 4.909 -12.238 -6.271 174 H GLU 457 H GLU 457 2.231 -13.584 -5.107 175 HA GLU 457 HA GLU 457 0.332 -11.340 -5.197 176 HB2 GLU 457 HB2 GLU 457 0.348 -13.949 -3.700 177 HB3 GLU 457 HB3 GLU 457 -0.648 -12.609 -3.143 178 HG2 GLU 457 HG2 GLU 457 -1.851 -12.561 -5.222 179 HG3 GLU 457 HG3 GLU 457 -0.786 -13.788 -5.914 180 H TYR 458 H TYR 458 0.292 -9.753 -3.714 181 HA TYR 458 HA TYR 458 2.272 -9.836 -1.520 182 HB2 TYR 458 HB2 TYR 458 1.524 -7.497 -3.293 183 HB3 TYR 458 HB3 TYR 458 2.435 -7.326 -1.796 184 HD1 TYR 458 HD1 TYR 458 2.529 -8.921 -5.160 185 HD2 TYR 458 HD2 TYR 458 4.765 -7.663 -1.761 186 HE1 TYR 458 HE1 TYR 458 4.618 -9.365 -6.377 187 HE2 TYR 458 HE2 TYR 458 6.858 -8.109 -2.968 188 HH TYR 458 HH TYR 458 7.695 -9.366 -4.811 189 H GLU 459 H GLU 459 1.750 -8.290 0.261 190 HA GLU 459 HA GLU 459 -1.160 -8.205 0.786 191 HB2 GLU 459 HB2 GLU 459 1.121 -8.683 2.721 192 HB3 GLU 459 HB3 GLU 459 -0.551 -8.445 3.201 193 HG2 GLU 459 HG2 GLU 459 -1.202 -10.491 2.098 194 HG3 GLU 459 HG3 GLU 459 0.437 -10.712 1.477 195 H VAL 460 H VAL 460 -1.938 -6.203 1.091 196 HA VAL 460 HA VAL 460 -0.144 -4.119 2.154 197 HB VAL 460 HB VAL 460 -2.854 -3.719 0.855 198 HG11 VAL 460 HG11 VAL 460 -2.233 -1.929 2.384 199 HG12 VAL 460 HG12 VAL 460 -2.154 -1.360 0.718 200 HG13 VAL 460 HG13 VAL 460 -0.670 -1.759 1.584 201 HG21 VAL 460 HG21 VAL 460 -0.102 -3.392 -0.355 202 HG22 VAL 460 HG22 VAL 460 -1.622 -2.921 -1.119 203 HG23 VAL 460 HG23 VAL 460 -1.293 -4.621 -0.786 204 H HIS 461 H HIS 461 -0.294 -3.958 4.309 205 HA HIS 461 HA HIS 461 -2.855 -4.527 5.634 206 HB2 HIS 461 HB2 HIS 461 -0.042 -4.276 6.688 207 HB3 HIS 461 HB3 HIS 461 -1.432 -4.366 7.747 208 HD1 HIS 461 HD1 HIS 461 -2.211 -6.639 8.357 209 HD2 HIS 461 HD2 HIS 461 0.266 -6.691 5.016 210 HE1 HIS 461 HE1 HIS 461 -1.818 -9.068 7.847 211 HE2 HIS 461 HE2 HIS 461 -0.423 -9.082 5.752 212 H VAL 462 H VAL 462 -4.162 -2.823 5.795 213 HA VAL 462 HA VAL 462 -2.996 -0.148 6.215 214 HB VAL 462 HB VAL 462 -4.951 0.805 5.175 215 HG11 VAL 462 HG11 VAL 462 -3.164 0.040 3.687 216 HG12 VAL 462 HG12 VAL 462 -4.738 -0.087 2.905 217 HG13 VAL 462 HG13 VAL 462 -3.951 -1.532 3.540 218 HG21 VAL 462 HG21 VAL 462 -6.761 -0.581 4.228 219 HG22 VAL 462 HG22 VAL 462 -6.676 -0.718 5.986 220 HG23 VAL 462 HG23 VAL 462 -6.041 -2.010 4.969 221 H LYS 463 H LYS 463 -3.410 0.880 8.088 222 HA LYS 463 HA LYS 463 -5.684 0.057 9.734 223 HB2 LYS 463 HB2 LYS 463 -4.091 -0.160 11.721 224 HB3 LYS 463 HB3 LYS 463 -4.133 -1.483 10.563 225 HG2 LYS 463 HG2 LYS 463 -2.067 -0.894 9.630 226 HG3 LYS 463 HG3 LYS 463 -2.093 0.709 10.361 227 HD2 LYS 463 HD2 LYS 463 -0.522 -0.699 11.553 228 HD3 LYS 463 HD3 LYS 463 -1.905 -0.335 12.584 229 HE2 LYS 463 HE2 LYS 463 -2.865 -2.514 12.126 230 HE3 LYS 463 HE3 LYS 463 -1.550 -2.880 11.013 231 HZ1 LYS 463 HZ1 LYS 463 -1.239 -3.904 13.193 232 HZ2 LYS 463 HZ2 LYS 463 -1.227 -2.375 13.914 233 HZ3 LYS 463 HZ3 LYS 463 0.001 -2.813 12.836 234 H ASN 464 H ASN 464 -6.386 1.545 11.220 235 HA ASN 464 HA ASN 464 -5.139 4.213 11.135 236 HB2 ASN 464 HB2 ASN 464 -7.598 3.900 10.641 237 HB3 ASN 464 HB3 ASN 464 -7.811 3.374 12.306 238 HD21 ASN 464 HD21 ASN 464 -9.001 5.603 10.933 239 HD22 ASN 464 HD22 ASN 464 -8.583 7.012 11.837 240 H LEU 465 H LEU 465 -3.993 4.937 12.868 241 HA LEU 465 HA LEU 465 -4.142 3.364 15.369 242 HB2 LEU 465 HB2 LEU 465 -1.767 4.831 14.212 243 HB3 LEU 465 HB3 LEU 465 -1.776 3.925 15.715 244 HG LEU 465 HG LEU 465 -2.186 2.756 12.950 245 HD11 LEU 465 HD11 LEU 465 0.154 2.498 14.837 246 HD12 LEU 465 HD12 LEU 465 0.121 3.467 13.363 247 HD13 LEU 465 HD13 LEU 465 -0.020 1.713 13.266 248 HD21 LEU 465 HD21 LEU 465 -3.460 1.528 14.621 249 HD22 LEU 465 HD22 LEU 465 -2.027 1.391 15.641 250 HD23 LEU 465 HD23 LEU 465 -2.078 0.577 14.077 251 H GLY 466 H GLY 466 -5.257 6.152 14.274 252 HA2 GLY 466 HA2 GLY 466 -4.375 7.922 16.414 253 HA3 GLY 466 HA3 GLY 466 -5.528 8.309 15.148 254 H GLY 467 H GLY 467 -6.961 5.693 15.887 255 HA2 GLY 467 HA2 GLY 467 -8.471 4.929 17.508 256 HA3 GLY 467 HA3 GLY 467 -8.058 6.304 18.515 257 H ILE 468 H ILE 468 -8.816 7.161 15.308 258 HA ILE 468 HA ILE 468 -11.668 7.555 15.901 259 HB ILE 468 HB ILE 468 -10.763 9.680 16.448 260 HG12 ILE 468 HG12 ILE 468 -11.740 9.916 13.585 261 HG13 ILE 468 HG13 ILE 468 -12.791 9.716 14.986 262 HG21 ILE 468 HG21 ILE 468 -9.253 10.950 15.019 263 HG22 ILE 468 HG22 ILE 468 -9.247 9.637 13.842 264 HG23 ILE 468 HG23 ILE 468 -8.556 9.388 15.445 265 HD11 ILE 468 HD11 ILE 468 -10.930 12.038 14.513 266 HD12 ILE 468 HD12 ILE 468 -12.030 11.846 15.879 267 HD13 ILE 468 HD13 ILE 468 -12.674 12.040 14.248 268 H GLY 469 H GLY 469 -13.025 7.237 14.192 269 HA2 GLY 469 HA2 GLY 469 -11.987 5.674 12.047 270 HA3 GLY 469 HA3 GLY 469 -13.662 6.127 12.282 271 H VAL 470 H VAL 470 -11.819 6.015 9.889 272 HA VAL 470 HA VAL 470 -12.574 8.650 8.793 273 HB VAL 470 HB VAL 470 -10.032 7.146 8.095 274 HG11 VAL 470 HG11 VAL 470 -11.062 9.835 7.172 275 HG12 VAL 470 HG12 VAL 470 -10.899 8.377 6.191 276 HG13 VAL 470 HG13 VAL 470 -9.461 9.183 6.818 277 HG21 VAL 470 HG21 VAL 470 -9.861 8.126 10.323 278 HG22 VAL 470 HG22 VAL 470 -10.395 9.687 9.696 279 HG23 VAL 470 HG23 VAL 470 -8.846 9.014 9.184 280 HA PRO 471 HA PRO 471 -14.454 5.790 5.766 281 HB2 PRO 471 HB2 PRO 471 -16.333 7.471 4.858 282 HB3 PRO 471 HB3 PRO 471 -16.470 6.728 6.456 283 HG2 PRO 471 HG2 PRO 471 -15.534 9.485 5.728 284 HG3 PRO 471 HG3 PRO 471 -16.633 8.989 7.028 285 HD2 PRO 471 HD2 PRO 471 -13.960 9.519 7.398 286 HD3 PRO 471 HD3 PRO 471 -14.906 8.434 8.436 287 H SER 472 H SER 472 -12.721 8.678 5.356 288 HA SER 472 HA SER 472 -12.984 8.873 2.467 289 HB2 SER 472 HB2 SER 472 -11.368 10.514 4.431 290 HB3 SER 472 HB3 SER 472 -11.500 10.856 2.704 291 HG SER 472 HG SER 472 -13.186 11.513 4.691 292 H THR 473 H THR 473 -11.484 6.554 3.870 293 HA THR 473 HA THR 473 -8.678 7.168 3.378 294 HB THR 473 HB THR 473 -10.003 4.725 4.590 295 HG1 THR 473 HG1 THR 473 -8.728 7.011 5.709 296 HG21 THR 473 HG21 THR 473 -7.841 4.120 3.625 297 HG22 THR 473 HG22 THR 473 -7.755 4.119 5.387 298 HG23 THR 473 HG23 THR 473 -7.072 5.463 4.472 299 H LYS 474 H LYS 474 -8.046 6.966 1.323 300 HA LYS 474 HA LYS 474 -8.788 4.566 -0.228 301 HB2 LYS 474 HB2 LYS 474 -7.644 7.216 -1.157 302 HB3 LYS 474 HB3 LYS 474 -8.020 5.856 -2.206 303 HG2 LYS 474 HG2 LYS 474 -10.376 6.050 -1.687 304 HG3 LYS 474 HG3 LYS 474 -10.041 7.333 -0.522 305 HD2 LYS 474 HD2 LYS 474 -9.210 8.770 -2.313 306 HD3 LYS 474 HD3 LYS 474 -9.477 7.481 -3.491 307 HE2 LYS 474 HE2 LYS 474 -11.654 8.736 -1.813 308 HE3 LYS 474 HE3 LYS 474 -11.260 9.232 -3.458 309 HZ1 LYS 474 HZ1 LYS 474 -11.979 6.438 -2.797 310 HZ2 LYS 474 HZ2 LYS 474 -11.964 7.186 -4.311 311 HZ3 LYS 474 HZ3 LYS 474 -13.150 7.596 -3.175 312 H VAL 475 H VAL 475 -7.270 3.083 -0.753 313 HA VAL 475 HA VAL 475 -4.427 3.663 -0.122 314 HB VAL 475 HB VAL 475 -5.812 0.965 -0.093 315 HG11 VAL 475 HG11 VAL 475 -3.043 1.783 0.812 316 HG12 VAL 475 HG12 VAL 475 -3.429 0.827 -0.620 317 HG13 VAL 475 HG13 VAL 475 -3.753 0.178 0.986 318 HG21 VAL 475 HG21 VAL 475 -4.994 2.727 2.227 319 HG22 VAL 475 HG22 VAL 475 -5.640 1.091 2.353 320 HG23 VAL 475 HG23 VAL 475 -6.647 2.389 1.714 321 H ARG 476 H ARG 476 -2.990 3.517 -1.775 322 HA ARG 476 HA ARG 476 -3.812 2.080 -4.220 323 HB2 ARG 476 HB2 ARG 476 -2.567 4.840 -4.112 324 HB3 ARG 476 HB3 ARG 476 -2.848 3.915 -5.585 325 HG2 ARG 476 HG2 ARG 476 -5.290 3.887 -4.982 326 HG3 ARG 476 HG3 ARG 476 -4.912 5.020 -3.687 327 HD2 ARG 476 HD2 ARG 476 -4.256 5.538 -6.584 328 HD3 ARG 476 HD3 ARG 476 -5.774 6.030 -5.839 329 HE ARG 476 HE ARG 476 -3.168 6.980 -4.839 330 HH11 ARG 476 HH11 ARG 476 -6.381 7.582 -5.934 331 HH12 ARG 476 HH12 ARG 476 -6.288 9.275 -5.615 332 HH21 ARG 476 HH21 ARG 476 -3.075 9.142 -4.420 333 HH22 ARG 476 HH22 ARG 476 -4.453 10.147 -4.727 334 H VAL 477 H VAL 477 -2.127 1.318 -5.579 335 HA VAL 477 HA VAL 477 0.510 1.086 -4.254 336 HB VAL 477 HB VAL 477 -0.954 -1.002 -5.895 337 HG11 VAL 477 HG11 VAL 477 1.428 -1.084 -6.396 338 HG12 VAL 477 HG12 VAL 477 0.967 -2.474 -5.413 339 HG13 VAL 477 HG13 VAL 477 1.812 -1.113 -4.674 340 HG21 VAL 477 HG21 VAL 477 -0.922 -2.321 -3.828 341 HG22 VAL 477 HG22 VAL 477 -1.786 -0.800 -3.604 342 HG23 VAL 477 HG23 VAL 477 -0.146 -0.982 -2.980 343 H TYR 478 H TYR 478 2.128 1.933 -5.376 344 HA TYR 478 HA TYR 478 1.896 2.207 -8.312 345 HB2 TYR 478 HB2 TYR 478 3.471 3.884 -6.338 346 HB3 TYR 478 HB3 TYR 478 3.512 4.089 -8.085 347 HD1 TYR 478 HD1 TYR 478 1.361 4.387 -5.082 348 HD2 TYR 478 HD2 TYR 478 1.787 5.281 -9.225 349 HE1 TYR 478 HE1 TYR 478 -0.553 5.921 -4.944 350 HE2 TYR 478 HE2 TYR 478 -0.123 6.820 -9.094 351 HH TYR 478 HH TYR 478 -1.434 7.869 -6.143 352 H ILE 479 H ILE 479 3.456 1.349 -9.590 353 HA ILE 479 HA ILE 479 5.861 0.202 -8.310 354 HB ILE 479 HB ILE 479 4.568 -0.647 -10.920 355 HG12 ILE 479 HG12 ILE 479 4.578 -2.032 -8.218 356 HG13 ILE 479 HG13 ILE 479 3.191 -1.230 -8.949 357 HG21 ILE 479 HG21 ILE 479 6.853 -1.885 -9.371 358 HG22 ILE 479 HG22 ILE 479 6.992 -0.992 -10.887 359 HG23 ILE 479 HG23 ILE 479 6.132 -2.530 -10.846 360 HD11 ILE 479 HD11 ILE 479 3.066 -3.644 -9.185 361 HD12 ILE 479 HD12 ILE 479 4.605 -3.651 -10.045 362 HD13 ILE 479 HD13 ILE 479 3.199 -2.859 -10.760 363 H ASN 480 H ASN 480 7.579 1.474 -8.638 364 HA ASN 480 HA ASN 480 9.024 2.997 -9.519 365 HB2 ASN 480 HB2 ASN 480 8.054 1.788 -12.128 366 HB3 ASN 480 HB3 ASN 480 9.442 2.863 -11.985 367 HD21 ASN 480 HD21 ASN 480 10.805 1.252 -12.794 368 HD22 ASN 480 HD22 ASN 480 11.283 -0.100 -11.834 369 H GLY 481 H GLY 481 6.371 3.884 -8.901 370 HA2 GLY 481 HA2 GLY 481 5.461 6.055 -8.993 371 HA3 GLY 481 HA3 GLY 481 6.303 6.331 -10.508 372 H THR 482 H THR 482 5.113 3.590 -11.373 373 HA THR 482 HA THR 482 2.822 4.780 -12.695 374 HB THR 482 HB THR 482 3.862 1.937 -12.903 375 HG1 THR 482 HG1 THR 482 5.492 2.977 -13.818 376 HG21 THR 482 HG21 THR 482 2.681 1.915 -15.063 377 HG22 THR 482 HG22 THR 482 2.061 3.536 -14.741 378 HG23 THR 482 HG23 THR 482 1.564 2.183 -13.725 379 H LEU 483 H LEU 483 0.737 4.629 -12.011 380 HA LEU 483 HA LEU 483 0.036 3.267 -9.629 381 HB2 LEU 483 HB2 LEU 483 -1.176 5.249 -10.376 382 HB3 LEU 483 HB3 LEU 483 -1.742 4.392 -11.798 383 HG LEU 483 HG LEU 483 -3.024 2.850 -10.343 384 HD11 LEU 483 HD11 LEU 483 -2.177 4.668 -8.092 385 HD12 LEU 483 HD12 LEU 483 -1.646 3.004 -8.330 386 HD13 LEU 483 HD13 LEU 483 -3.340 3.347 -7.983 387 HD21 LEU 483 HD21 LEU 483 -3.638 5.774 -9.900 388 HD22 LEU 483 HD22 LEU 483 -4.773 4.437 -9.692 389 HD23 LEU 483 HD23 LEU 483 -4.127 4.807 -11.291 390 H TYR 484 H TYR 484 -0.167 1.156 -9.370 391 HA TYR 484 HA TYR 484 -0.732 -0.574 -11.647 392 HB2 TYR 484 HB2 TYR 484 1.117 -1.214 -10.225 393 HB3 TYR 484 HB3 TYR 484 0.090 -1.172 -8.794 394 HD1 TYR 484 HD1 TYR 484 0.525 -2.922 -12.053 395 HD2 TYR 484 HD2 TYR 484 -1.036 -3.108 -8.093 396 HE1 TYR 484 HE1 TYR 484 -0.032 -5.291 -12.390 397 HE2 TYR 484 HE2 TYR 484 -1.602 -5.478 -8.425 398 HH TYR 484 HH TYR 484 -2.039 -7.023 -10.238 399 H LYS 485 H LYS 485 -2.148 0.161 -8.454 400 HA LYS 485 HA LYS 485 -4.790 -0.509 -9.369 401 HB2 LYS 485 HB2 LYS 485 -3.786 -2.762 -8.898 402 HB3 LYS 485 HB3 LYS 485 -3.594 -2.277 -7.218 403 HG2 LYS 485 HG2 LYS 485 -5.986 -2.093 -6.950 404 HG3 LYS 485 HG3 LYS 485 -6.238 -2.414 -8.668 405 HD2 LYS 485 HD2 LYS 485 -5.256 -4.652 -8.381 406 HD3 LYS 485 HD3 LYS 485 -5.034 -4.329 -6.660 407 HE2 LYS 485 HE2 LYS 485 -7.027 -5.662 -6.999 408 HE3 LYS 485 HE3 LYS 485 -7.473 -4.060 -6.419 409 HZ1 LYS 485 HZ1 LYS 485 -7.604 -4.990 -9.235 410 HZ2 LYS 485 HZ2 LYS 485 -8.005 -3.438 -8.701 411 HZ3 LYS 485 HZ3 LYS 485 -8.918 -4.765 -8.201 412 H ASN 486 H ASN 486 -6.452 -0.019 -7.767 413 HA ASN 486 HA ASN 486 -5.553 1.455 -5.399 414 HB2 ASN 486 HB2 ASN 486 -7.252 3.305 -6.154 415 HB3 ASN 486 HB3 ASN 486 -5.615 3.293 -6.796 416 HD21 ASN 486 HD21 ASN 486 -8.961 2.604 -7.511 417 HD22 ASN 486 HD22 ASN 486 -8.776 2.582 -9.224 418 H TRP 487 H TRP 487 -6.980 1.555 -3.726 419 HA TRP 487 HA TRP 487 -9.673 0.380 -4.062 420 HB2 TRP 487 HB2 TRP 487 -7.858 -0.023 -1.662 421 HB3 TRP 487 HB3 TRP 487 -9.460 -0.707 -1.880 422 HD1 TRP 487 HD1 TRP 487 -9.670 -2.781 -3.619 423 HE1 TRP 487 HE1 TRP 487 -7.916 -4.500 -4.396 424 HE3 TRP 487 HE3 TRP 487 -5.432 -0.291 -2.228 425 HZ2 TRP 487 HZ2 TRP 487 -5.106 -4.760 -4.408 426 HZ3 TRP 487 HZ3 TRP 487 -3.252 -1.344 -2.653 427 HH2 TRP 487 HH2 TRP 487 -3.090 -3.532 -3.721 428 H THR 488 H THR 488 -11.326 1.380 -2.871 429 HA THR 488 HA THR 488 -10.531 3.576 -1.043 430 HB THR 488 HB THR 488 -13.107 3.289 -2.624 431 HG1 THR 488 HG1 THR 488 -11.730 4.239 -3.992 432 HG21 THR 488 HG21 THR 488 -13.578 4.218 -0.411 433 HG22 THR 488 HG22 THR 488 -13.739 5.461 -1.651 434 HG23 THR 488 HG23 THR 488 -12.302 5.417 -0.630 435 H VAL 489 H VAL 489 -10.841 3.135 1.049 436 HA VAL 489 HA VAL 489 -12.953 1.235 1.844 437 HB VAL 489 HB VAL 489 -11.415 0.141 3.437 438 HG11 VAL 489 HG11 VAL 489 -10.143 -1.188 1.820 439 HG12 VAL 489 HG12 VAL 489 -10.438 0.027 0.579 440 HG13 VAL 489 HG13 VAL 489 -11.785 -0.889 1.251 441 HG21 VAL 489 HG21 VAL 489 -9.266 1.787 2.088 442 HG22 VAL 489 HG22 VAL 489 -8.982 0.473 3.231 443 HG23 VAL 489 HG23 VAL 489 -9.808 1.938 3.760 444 H SER 490 H SER 490 -13.154 1.174 4.312 445 HA SER 490 HA SER 490 -12.664 3.839 5.500 446 HB2 SER 490 HB2 SER 490 -14.786 3.547 6.767 447 HB3 SER 490 HB3 SER 490 -15.049 3.598 5.024 448 HG SER 490 HG SER 490 -14.764 1.153 6.436 449 H LEU 491 H LEU 491 -11.674 3.852 7.447 450 HA LEU 491 HA LEU 491 -11.320 1.272 8.852 451 HB2 LEU 491 HB2 LEU 491 -9.366 3.556 8.526 452 HB3 LEU 491 HB3 LEU 491 -9.122 2.221 9.638 453 HG LEU 491 HG LEU 491 -9.342 1.971 6.629 454 HD11 LEU 491 HD11 LEU 491 -7.277 3.076 7.313 455 HD12 LEU 491 HD12 LEU 491 -6.953 1.454 6.703 456 HD13 LEU 491 HD13 LEU 491 -6.933 1.763 8.439 457 HD21 LEU 491 HD21 LEU 491 -8.714 -0.101 8.743 458 HD22 LEU 491 HD22 LEU 491 -8.625 -0.353 6.998 459 HD23 LEU 491 HD23 LEU 491 -10.178 -0.020 7.762 460 H GLY 492 H GLY 492 -12.225 1.223 10.798 461 HA2 GLY 492 HA2 GLY 492 -13.139 3.622 12.124 462 HA3 GLY 492 HA3 GLY 492 -13.323 1.973 12.698 463 HA PRO 493 HA PRO 493 -10.217 4.269 15.397 464 HB2 PRO 493 HB2 PRO 493 -11.283 3.338 17.759 465 HB3 PRO 493 HB3 PRO 493 -11.759 4.853 16.986 466 HG2 PRO 493 HG2 PRO 493 -13.107 2.176 16.894 467 HG3 PRO 493 HG3 PRO 493 -13.826 3.788 17.080 468 HD2 PRO 493 HD2 PRO 493 -13.847 2.496 14.718 469 HD3 PRO 493 HD3 PRO 493 -13.665 4.261 14.812 470 H LYS 494 H LYS 494 -8.375 3.111 15.144 471 HA LYS 494 HA LYS 494 -6.781 1.516 15.366 472 HB2 LYS 494 HB2 LYS 494 -8.578 0.579 17.618 473 HB3 LYS 494 HB3 LYS 494 -6.966 -0.055 17.316 474 HG2 LYS 494 HG2 LYS 494 -7.604 2.830 17.941 475 HG3 LYS 494 HG3 LYS 494 -7.011 1.641 19.107 476 HD2 LYS 494 HD2 LYS 494 -4.953 1.376 17.820 477 HD3 LYS 494 HD3 LYS 494 -5.550 2.507 16.603 478 HE2 LYS 494 HE2 LYS 494 -3.980 3.614 18.102 479 HE3 LYS 494 HE3 LYS 494 -5.596 4.292 18.291 480 HZ1 LYS 494 HZ1 LYS 494 -4.362 2.272 20.088 481 HZ2 LYS 494 HZ2 LYS 494 -5.892 2.974 20.283 482 HZ3 LYS 494 HZ3 LYS 494 -4.501 3.924 20.418 483 H GLU 495 H GLU 495 -8.739 1.115 13.395 484 HA GLU 495 HA GLU 495 -9.227 -1.794 13.400 485 HB2 GLU 495 HB2 GLU 495 -11.183 -0.325 13.092 486 HB3 GLU 495 HB3 GLU 495 -10.429 0.384 11.672 487 HG2 GLU 495 HG2 GLU 495 -10.532 -1.754 10.521 488 HG3 GLU 495 HG3 GLU 495 -11.225 -2.510 11.955 489 H GLU 496 H GLU 496 -8.617 -3.091 11.620 490 HA GLU 496 HA GLU 496 -6.782 -1.867 9.660 491 HB2 GLU 496 HB2 GLU 496 -5.401 -2.880 11.393 492 HB3 GLU 496 HB3 GLU 496 -6.273 -4.400 11.238 493 HG2 GLU 496 HG2 GLU 496 -5.427 -4.655 8.947 494 HG3 GLU 496 HG3 GLU 496 -4.554 -3.131 9.100 495 H LYS 497 H LYS 497 -6.826 -2.678 7.616 496 HA LYS 497 HA LYS 497 -8.405 -5.117 7.084 497 HB2 LYS 497 HB2 LYS 497 -8.330 -2.553 5.487 498 HB3 LYS 497 HB3 LYS 497 -8.923 -4.073 4.826 499 HG2 LYS 497 HG2 LYS 497 -10.564 -4.142 6.731 500 HG3 LYS 497 HG3 LYS 497 -10.065 -2.495 7.119 501 HD2 LYS 497 HD2 LYS 497 -10.825 -1.693 4.982 502 HD3 LYS 497 HD3 LYS 497 -11.136 -3.339 4.421 503 HE2 LYS 497 HE2 LYS 497 -12.809 -3.579 6.239 504 HE3 LYS 497 HE3 LYS 497 -12.561 -1.881 6.638 505 HZ1 LYS 497 HZ1 LYS 497 -13.347 -1.274 4.448 506 HZ2 LYS 497 HZ2 LYS 497 -14.504 -2.221 5.230 507 HZ3 LYS 497 HZ3 LYS 497 -13.533 -2.894 4.021 508 H VAL 498 H VAL 498 -7.542 -6.559 5.581 509 HA VAL 498 HA VAL 498 -4.801 -5.972 4.653 510 HB VAL 498 HB VAL 498 -6.158 -8.669 4.896 511 HG11 VAL 498 HG11 VAL 498 -3.902 -9.587 4.580 512 HG12 VAL 498 HG12 VAL 498 -3.270 -7.956 4.352 513 HG13 VAL 498 HG13 VAL 498 -4.413 -8.629 3.189 514 HG21 VAL 498 HG21 VAL 498 -4.120 -7.390 6.726 515 HG22 VAL 498 HG22 VAL 498 -4.747 -9.033 6.863 516 HG23 VAL 498 HG23 VAL 498 -5.823 -7.656 7.100 517 H LEU 499 H LEU 499 -4.756 -5.281 2.613 518 HA LEU 499 HA LEU 499 -6.715 -6.326 0.671 519 HB2 LEU 499 HB2 LEU 499 -4.939 -3.893 0.387 520 HB3 LEU 499 HB3 LEU 499 -6.298 -4.337 -0.627 521 HG LEU 499 HG LEU 499 -6.493 -3.491 2.274 522 HD11 LEU 499 HD11 LEU 499 -7.530 -1.441 1.381 523 HD12 LEU 499 HD12 LEU 499 -7.156 -1.980 -0.256 524 HD13 LEU 499 HD13 LEU 499 -5.851 -1.619 0.873 525 HD21 LEU 499 HD21 LEU 499 -8.695 -3.994 0.260 526 HD22 LEU 499 HD22 LEU 499 -8.902 -3.449 1.927 527 HD23 LEU 499 HD23 LEU 499 -8.272 -5.064 1.598 528 H THR 500 H THR 500 -5.999 -7.696 -0.894 529 HA THR 500 HA THR 500 -3.073 -7.929 -1.300 530 HB THR 500 HB THR 500 -3.549 -10.266 -2.112 531 HG1 THR 500 HG1 THR 500 -5.589 -11.159 -1.435 532 HG21 THR 500 HG21 THR 500 -3.781 -11.241 0.114 533 HG22 THR 500 HG22 THR 500 -4.329 -9.689 0.752 534 HG23 THR 500 HG23 THR 500 -2.682 -9.864 0.140 535 H PHE 501 H PHE 501 -2.261 -8.333 -3.377 536 HA PHE 501 HA PHE 501 -4.098 -8.253 -5.648 537 HB2 PHE 501 HB2 PHE 501 -2.795 -6.517 -6.809 538 HB3 PHE 501 HB3 PHE 501 -3.495 -5.902 -5.319 539 HD1 PHE 501 HD1 PHE 501 -2.053 -5.411 -3.372 540 HD2 PHE 501 HD2 PHE 501 -0.410 -6.666 -7.102 541 HE1 PHE 501 HE1 PHE 501 0.165 -4.618 -2.662 542 HE2 PHE 501 HE2 PHE 501 1.810 -5.875 -6.390 543 HZ PHE 501 HZ PHE 501 2.100 -4.850 -4.169 544 H SER 502 H SER 502 -3.217 -9.151 -7.572 545 HA SER 502 HA SER 502 -0.774 -10.762 -7.139 546 HB2 SER 502 HB2 SER 502 -1.696 -12.306 -8.826 547 HB3 SER 502 HB3 SER 502 -2.829 -12.078 -7.496 548 HG SER 502 HG SER 502 -4.118 -11.759 -9.173 549 H TRP 503 H TRP 503 0.961 -10.003 -8.169 550 HA TRP 503 HA TRP 503 0.604 -8.321 -10.556 551 HB2 TRP 503 HB2 TRP 503 1.646 -7.175 -8.688 552 HB3 TRP 503 HB3 TRP 503 2.854 -8.445 -8.535 553 HD1 TRP 503 HD1 TRP 503 1.786 -6.394 -11.679 554 HE1 TRP 503 HE1 TRP 503 3.912 -5.355 -12.692 555 HE3 TRP 503 HE3 TRP 503 5.202 -8.015 -8.240 556 HZ2 TRP 503 HZ2 TRP 503 6.670 -5.232 -12.106 557 HZ3 TRP 503 HZ3 TRP 503 7.563 -7.395 -8.538 558 HH2 TRP 503 HH2 TRP 503 8.284 -6.031 -10.433 559 H THR 504 H THR 504 1.340 -8.963 -12.470 560 HA THR 504 HA THR 504 3.278 -11.196 -12.603 561 HB THR 504 HB THR 504 1.250 -10.353 -14.700 562 HG1 THR 504 HG1 THR 504 -0.022 -11.784 -13.807 563 HG21 THR 504 HG21 THR 504 1.933 -12.395 -15.887 564 HG22 THR 504 HG22 THR 504 3.179 -12.684 -14.671 565 HG23 THR 504 HG23 THR 504 3.280 -11.269 -15.719 566 HA PRO 505 HA PRO 505 5.758 -7.733 -14.268 567 HB2 PRO 505 HB2 PRO 505 8.179 -8.808 -13.732 568 HB3 PRO 505 HB3 PRO 505 7.196 -8.023 -12.491 569 HG2 PRO 505 HG2 PRO 505 7.514 -10.948 -13.081 570 HG3 PRO 505 HG3 PRO 505 7.512 -10.118 -11.512 571 HD2 PRO 505 HD2 PRO 505 5.328 -11.410 -12.501 572 HD3 PRO 505 HD3 PRO 505 5.211 -9.994 -11.437 573 H THR 506 H THR 506 5.057 -8.188 -16.442 574 HA THR 506 HA THR 506 6.070 -10.345 -17.990 575 HB THR 506 HB THR 506 5.285 -9.040 -19.966 576 HG1 THR 506 HG1 THR 506 5.461 -6.925 -19.523 577 HG21 THR 506 HG21 THR 506 3.341 -9.178 -17.651 578 HG22 THR 506 HG22 THR 506 3.722 -10.491 -18.766 579 HG23 THR 506 HG23 THR 506 2.899 -9.045 -19.353 580 H GLN 507 H GLN 507 7.488 -7.378 -17.037 581 HA GLN 507 HA GLN 507 9.769 -7.867 -18.854 582 HB2 GLN 507 HB2 GLN 507 8.702 -5.699 -19.295 583 HB3 GLN 507 HB3 GLN 507 8.868 -5.256 -17.601 584 HG2 GLN 507 HG2 GLN 507 11.332 -5.382 -17.855 585 HG3 GLN 507 HG3 GLN 507 11.106 -5.701 -19.574 586 HE21 GLN 507 HE21 GLN 507 12.470 -3.490 -18.267 587 HE22 GLN 507 HE22 GLN 507 11.704 -2.051 -18.832 588 H GLU 508 H GLU 508 11.720 -8.258 -17.922 589 HA GLU 508 HA GLU 508 11.812 -8.419 -15.018 590 HB2 GLU 508 HB2 GLU 508 14.133 -9.503 -15.582 591 HB3 GLU 508 HB3 GLU 508 12.642 -10.396 -15.822 592 HG2 GLU 508 HG2 GLU 508 14.114 -10.757 -17.679 593 HG3 GLU 508 HG3 GLU 508 12.705 -9.849 -18.212 594 H GLY 509 H GLY 509 13.501 -7.594 -13.734 595 HA2 GLY 509 HA2 GLY 509 15.616 -6.044 -14.158 596 HA3 GLY 509 HA3 GLY 509 14.328 -4.931 -14.599 597 H MET 510 H MET 510 15.412 -3.725 -12.746 598 HA MET 510 HA MET 510 14.591 -4.702 -10.107 599 HB2 MET 510 HB2 MET 510 16.895 -3.737 -10.504 600 HB3 MET 510 HB3 MET 510 16.129 -2.171 -10.734 601 HG2 MET 510 HG2 MET 510 17.000 -2.418 -8.473 602 HG3 MET 510 HG3 MET 510 15.241 -2.257 -8.469 603 HE1 MET 510 HE1 MET 510 15.022 -3.179 -6.022 604 HE2 MET 510 HE2 MET 510 16.779 -3.313 -5.907 605 HE3 MET 510 HE3 MET 510 15.757 -4.679 -5.461 606 H TYR 511 H TYR 511 12.780 -4.022 -9.112 607 HA TYR 511 HA TYR 511 11.506 -1.520 -10.041 608 HB2 TYR 511 HB2 TYR 511 10.124 -4.152 -9.452 609 HB3 TYR 511 HB3 TYR 511 9.290 -2.632 -9.759 610 HD1 TYR 511 HD1 TYR 511 9.225 -1.675 -12.001 611 HD2 TYR 511 HD2 TYR 511 11.213 -5.368 -11.262 612 HE1 TYR 511 HE1 TYR 511 9.278 -2.126 -14.415 613 HE2 TYR 511 HE2 TYR 511 11.271 -5.824 -13.675 614 HH TYR 511 HH TYR 511 10.112 -5.185 -15.686 615 H ARG 512 H ARG 512 10.231 -0.393 -8.524 616 HA ARG 512 HA ARG 512 10.454 -1.291 -5.720 617 HB2 ARG 512 HB2 ARG 512 11.925 0.562 -5.867 618 HB3 ARG 512 HB3 ARG 512 10.806 1.478 -6.866 619 HG2 ARG 512 HG2 ARG 512 9.389 1.947 -5.035 620 HG3 ARG 512 HG3 ARG 512 10.173 0.741 -4.016 621 HD2 ARG 512 HD2 ARG 512 11.651 3.137 -5.086 622 HD3 ARG 512 HD3 ARG 512 10.736 3.199 -3.581 623 HE ARG 512 HE ARG 512 12.566 1.009 -3.642 624 HH11 ARG 512 HH11 ARG 512 12.397 4.414 -3.121 625 HH12 ARG 512 HH12 ARG 512 13.706 4.407 -1.988 626 HH21 ARG 512 HH21 ARG 512 14.204 1.005 -2.192 627 HH22 ARG 512 HH22 ARG 512 14.721 2.490 -1.462 628 H ILE 513 H ILE 513 8.559 -1.654 -4.789 629 HA ILE 513 HA ILE 513 6.116 -0.497 -5.952 630 HB ILE 513 HB ILE 513 6.448 -2.872 -4.097 631 HG12 ILE 513 HG12 ILE 513 5.764 -2.720 -7.053 632 HG13 ILE 513 HG13 ILE 513 7.273 -3.314 -6.369 633 HG21 ILE 513 HG21 ILE 513 3.962 -1.793 -5.437 634 HG22 ILE 513 HG22 ILE 513 4.324 -1.735 -3.711 635 HG23 ILE 513 HG23 ILE 513 4.061 -3.287 -4.505 636 HD11 ILE 513 HD11 ILE 513 6.071 -5.165 -5.320 637 HD12 ILE 513 HD12 ILE 513 5.843 -5.144 -7.070 638 HD13 ILE 513 HD13 ILE 513 4.558 -4.569 -6.005 639 H ASN 514 H ASN 514 5.108 1.091 -4.899 640 HA ASN 514 HA ASN 514 5.543 1.397 -1.988 641 HB2 ASN 514 HB2 ASN 514 5.100 3.555 -4.068 642 HB3 ASN 514 HB3 ASN 514 5.186 3.835 -2.330 643 HD21 ASN 514 HD21 ASN 514 7.170 3.643 -1.283 644 HD22 ASN 514 HD22 ASN 514 8.658 3.651 -2.151 645 H ALA 515 H ALA 515 3.769 1.627 -0.689 646 HA ALA 515 HA ALA 515 1.124 1.809 -2.003 647 HB1 ALA 515 HB1 ALA 515 1.425 -0.283 -0.762 648 HB2 ALA 515 HB2 ALA 515 0.172 0.725 -0.030 649 HB3 ALA 515 HB3 ALA 515 1.777 0.633 0.705 650 H THR 516 H THR 516 -0.197 3.447 -1.488 651 HA THR 516 HA THR 516 0.663 5.344 0.616 652 HB THR 516 HB THR 516 -0.215 7.168 -0.792 653 HG1 THR 516 HG1 THR 516 -0.695 6.596 -3.041 654 HG21 THR 516 HG21 THR 516 1.526 7.156 -2.530 655 HG22 THR 516 HG22 THR 516 1.810 5.439 -2.230 656 HG23 THR 516 HG23 THR 516 2.164 6.627 -0.974 657 H VAL 517 H VAL 517 -0.934 6.217 1.916 658 HA VAL 517 HA VAL 517 -3.720 5.442 1.299 659 HB VAL 517 HB VAL 517 -2.941 4.243 3.271 660 HG11 VAL 517 HG11 VAL 517 -2.292 5.407 5.324 661 HG12 VAL 517 HG12 VAL 517 -2.388 6.952 4.480 662 HG13 VAL 517 HG13 VAL 517 -1.183 5.759 3.999 663 HG21 VAL 517 HG21 VAL 517 -5.280 4.898 3.209 664 HG22 VAL 517 HG22 VAL 517 -4.889 6.442 3.970 665 HG23 VAL 517 HG23 VAL 517 -4.677 4.937 4.865 666 H ASP 518 H ASP 518 -5.299 6.960 1.474 667 HA ASP 518 HA ASP 518 -6.061 9.035 0.872 668 HB2 ASP 518 HB2 ASP 518 -6.390 8.718 3.381 669 HB3 ASP 518 HB3 ASP 518 -5.036 9.824 3.596 670 H GLU 519 H GLU 519 -3.945 9.057 -0.631 671 HA GLU 519 HA GLU 519 -1.969 11.001 -0.216 672 HB2 GLU 519 HB2 GLU 519 -3.296 10.045 -2.751 673 HB3 GLU 519 HB3 GLU 519 -2.018 11.250 -2.768 674 HG2 GLU 519 HG2 GLU 519 -0.513 9.638 -1.679 675 HG3 GLU 519 HG3 GLU 519 -1.797 8.428 -1.744 676 H GLU 520 H GLU 520 -5.307 11.311 -1.206 677 HA GLU 520 HA GLU 520 -5.235 14.028 -2.007 678 HB2 GLU 520 HB2 GLU 520 -7.638 12.711 -0.737 679 HB3 GLU 520 HB3 GLU 520 -7.603 13.934 -1.998 680 HG2 GLU 520 HG2 GLU 520 -6.873 11.024 -2.273 681 HG3 GLU 520 HG3 GLU 520 -8.296 11.826 -2.927 682 H ASN 521 H ASN 521 -5.300 12.398 1.025 683 HA ASN 521 HA ASN 521 -5.260 13.000 3.180 684 HB2 ASN 521 HB2 ASN 521 -3.177 14.170 2.071 685 HB3 ASN 521 HB3 ASN 521 -4.052 15.647 2.463 686 HD21 ASN 521 HD21 ASN 521 -4.098 12.667 4.339 687 HD22 ASN 521 HD22 ASN 521 -3.293 13.308 5.724 688 H THR 522 H THR 522 -7.555 13.094 3.085 689 HA THR 522 HA THR 522 -8.889 15.668 2.895 690 HB THR 522 HB THR 522 -10.942 14.443 3.175 691 HG1 THR 522 HG1 THR 522 -9.345 12.147 3.816 692 HG21 THR 522 HG21 THR 522 -10.777 12.741 1.407 693 HG22 THR 522 HG22 THR 522 -9.018 12.791 1.520 694 HG23 THR 522 HG23 THR 522 -9.908 14.209 0.966 695 H VAL 523 H VAL 523 -7.267 14.009 5.302 696 HA VAL 523 HA VAL 523 -8.771 15.343 7.457 697 HB VAL 523 HB VAL 523 -9.559 13.026 7.308 698 HG11 VAL 523 HG11 VAL 523 -6.688 12.234 7.828 699 HG12 VAL 523 HG12 VAL 523 -7.587 11.976 6.332 700 HG13 VAL 523 HG13 VAL 523 -8.070 11.139 7.807 701 HG21 VAL 523 HG21 VAL 523 -9.197 12.386 9.648 702 HG22 VAL 523 HG22 VAL 523 -9.526 14.110 9.484 703 HG23 VAL 523 HG23 VAL 523 -7.876 13.550 9.762 704 H VAL 524 H VAL 524 -7.574 16.035 9.219 705 HA VAL 524 HA VAL 524 -4.697 16.175 8.888 706 HB VAL 524 HB VAL 524 -6.431 17.249 11.133 707 HG11 VAL 524 HG11 VAL 524 -4.108 16.982 11.825 708 HG12 VAL 524 HG12 VAL 524 -4.502 18.692 11.646 709 HG13 VAL 524 HG13 VAL 524 -3.562 17.869 10.401 710 HG21 VAL 524 HG21 VAL 524 -5.350 18.630 8.666 711 HG22 VAL 524 HG22 VAL 524 -6.196 19.425 9.995 712 HG23 VAL 524 HG23 VAL 524 -7.041 18.246 8.992 713 H GLU 525 H GLU 525 -3.357 14.664 9.627 714 HA GLU 525 HA GLU 525 -4.336 12.743 11.638 715 HB2 GLU 525 HB2 GLU 525 -2.211 12.417 9.510 716 HB3 GLU 525 HB3 GLU 525 -2.767 11.160 10.611 717 HG2 GLU 525 HG2 GLU 525 -4.932 11.132 9.619 718 HG3 GLU 525 HG3 GLU 525 -4.578 12.574 8.668 719 H LEU 526 H LEU 526 -2.317 11.494 12.627 720 HA LEU 526 HA LEU 526 -0.961 13.391 14.305 721 HB2 LEU 526 HB2 LEU 526 -0.768 10.383 14.113 722 HB3 LEU 526 HB3 LEU 526 0.040 11.342 15.341 723 HG LEU 526 HG LEU 526 -2.965 11.206 14.970 724 HD11 LEU 526 HD11 LEU 526 -2.968 9.858 17.015 725 HD12 LEU 526 HD12 LEU 526 -1.204 9.848 17.015 726 HD13 LEU 526 HD13 LEU 526 -2.092 9.057 15.712 727 HD21 LEU 526 HD21 LEU 526 -1.291 12.419 17.180 728 HD22 LEU 526 HD22 LEU 526 -3.054 12.331 17.138 729 HD23 LEU 526 HD23 LEU 526 -2.193 13.314 15.954 730 H ASN 527 H ASN 527 0.060 11.204 11.693 731 HA ASN 527 HA ASN 527 2.534 12.758 11.444 732 HB2 ASN 527 HB2 ASN 527 3.211 10.878 12.810 733 HB3 ASN 527 HB3 ASN 527 2.451 9.742 11.700 734 HD21 ASN 527 HD21 ASN 527 4.487 8.691 11.544 735 HD22 ASN 527 HD22 ASN 527 5.741 9.333 10.545 736 H GLU 528 H GLU 528 2.908 13.312 9.415 737 HA GLU 528 HA GLU 528 1.136 12.338 7.341 738 HB2 GLU 528 HB2 GLU 528 1.459 14.721 7.583 739 HB3 GLU 528 HB3 GLU 528 3.196 14.554 7.405 740 HG2 GLU 528 HG2 GLU 528 1.580 13.554 5.142 741 HG3 GLU 528 HG3 GLU 528 1.522 15.294 5.420 742 H ASN 529 H ASN 529 4.414 11.780 8.304 743 HA ASN 529 HA ASN 529 5.226 10.738 5.704 744 HB2 ASN 529 HB2 ASN 529 6.666 10.556 8.366 745 HB3 ASN 529 HB3 ASN 529 7.350 10.203 6.781 746 HD21 ASN 529 HD21 ASN 529 6.516 12.632 9.043 747 HD22 ASN 529 HD22 ASN 529 7.142 13.977 8.156 748 H ASN 530 H ASN 530 3.155 9.608 7.888 749 HA ASN 530 HA ASN 530 4.132 6.862 8.108 750 HB2 ASN 530 HB2 ASN 530 3.094 8.153 10.025 751 HB3 ASN 530 HB3 ASN 530 1.559 8.058 9.173 752 HD21 ASN 530 HD21 ASN 530 0.614 6.909 10.830 753 HD22 ASN 530 HD22 ASN 530 0.989 5.253 11.138 754 H ASN 531 H ASN 531 2.232 8.678 5.994 755 HA ASN 531 HA ASN 531 0.194 6.743 5.389 756 HB2 ASN 531 HB2 ASN 531 1.005 9.239 3.878 757 HB3 ASN 531 HB3 ASN 531 -0.498 8.341 3.671 758 HD21 ASN 531 HD21 ASN 531 -2.125 8.592 5.177 759 HD22 ASN 531 HD22 ASN 531 -2.089 9.797 6.412 760 H VAL 532 H VAL 532 3.399 6.601 4.608 761 HA VAL 532 HA VAL 532 2.860 5.318 2.000 762 HB VAL 532 HB VAL 532 5.247 7.089 2.587 763 HG11 VAL 532 HG11 VAL 532 4.466 5.631 0.056 764 HG12 VAL 532 HG12 VAL 532 5.836 5.251 1.100 765 HG13 VAL 532 HG13 VAL 532 5.802 6.772 0.208 766 HG21 VAL 532 HG21 VAL 532 3.209 8.400 2.278 767 HG22 VAL 532 HG22 VAL 532 2.885 7.561 0.761 768 HG23 VAL 532 HG23 VAL 532 4.297 8.608 0.908 769 H ALA 533 H ALA 533 3.768 3.370 1.683 770 HA ALA 533 HA ALA 533 5.975 2.492 3.456 771 HB1 ALA 533 HB1 ALA 533 3.788 0.747 2.301 772 HB2 ALA 533 HB2 ALA 533 3.879 1.304 3.971 773 HB3 ALA 533 HB3 ALA 533 5.113 0.215 3.338 774 H THR 534 H THR 534 7.686 1.341 2.501 775 HA THR 534 HA THR 534 7.714 1.332 -0.463 776 HB THR 534 HB THR 534 9.996 2.090 1.377 777 HG1 THR 534 HG1 THR 534 9.466 4.103 0.942 778 HG21 THR 534 HG21 THR 534 9.903 1.996 -1.646 779 HG22 THR 534 HG22 THR 534 10.805 0.890 -0.608 780 HG23 THR 534 HG23 THR 534 11.246 2.597 -0.674 781 H PHE 535 H PHE 535 8.157 -0.581 -1.371 782 HA PHE 535 HA PHE 535 10.017 -2.426 -0.034 783 HB2 PHE 535 HB2 PHE 535 7.706 -3.151 0.522 784 HB3 PHE 535 HB3 PHE 535 7.349 -3.282 -1.195 785 HD1 PHE 535 HD1 PHE 535 9.461 -4.661 1.523 786 HD2 PHE 535 HD2 PHE 535 7.902 -5.244 -2.402 787 HE1 PHE 535 HE1 PHE 535 10.267 -6.986 1.547 788 HE2 PHE 535 HE2 PHE 535 8.710 -7.569 -2.380 789 HZ PHE 535 HZ PHE 535 9.893 -8.442 -0.403 790 H ASP 536 H ASP 536 11.578 -3.045 -1.417 791 HA ASP 536 HA ASP 536 11.219 -2.545 -4.278 792 HB2 ASP 536 HB2 ASP 536 13.671 -3.124 -2.608 793 HB3 ASP 536 HB3 ASP 536 13.708 -2.965 -4.362 794 H VAL 537 H VAL 537 11.274 -4.079 -5.848 795 HA VAL 537 HA VAL 537 11.531 -6.904 -5.021 796 HB VAL 537 HB VAL 537 9.601 -5.790 -7.076 797 HG11 VAL 537 HG11 VAL 537 9.977 -8.620 -6.080 798 HG12 VAL 537 HG12 VAL 537 10.383 -8.015 -7.687 799 HG13 VAL 537 HG13 VAL 537 8.698 -8.075 -7.169 800 HG21 VAL 537 HG21 VAL 537 9.071 -6.929 -4.325 801 HG22 VAL 537 HG22 VAL 537 7.837 -6.466 -5.501 802 HG23 VAL 537 HG23 VAL 537 8.899 -5.241 -4.807 803 H SER 538 H SER 538 12.881 -8.134 -6.200 804 HA SER 538 HA SER 538 14.144 -6.973 -8.594 805 HB2 SER 538 HB2 SER 538 15.689 -7.677 -6.827 806 HB3 SER 538 HB3 SER 538 15.008 -9.302 -6.852 807 HG SER 538 HG SER 538 16.927 -9.184 -8.075 808 H VAL 539 H VAL 539 13.417 -7.628 -10.520 809 HA VAL 539 HA VAL 539 12.127 -10.274 -10.746 810 HB VAL 539 HB VAL 539 11.913 -7.955 -12.681 811 HG11 VAL 539 HG11 VAL 539 10.342 -10.529 -12.460 812 HG12 VAL 539 HG12 VAL 539 11.513 -10.125 -13.716 813 HG13 VAL 539 HG13 VAL 539 10.007 -9.218 -13.592 814 HG21 VAL 539 HG21 VAL 539 10.924 -7.356 -10.524 815 HG22 VAL 539 HG22 VAL 539 9.959 -8.831 -10.545 816 HG23 VAL 539 HG23 VAL 539 9.676 -7.575 -11.749 817 H VAL 540 H VAL 540 12.982 -11.827 -11.989 818 HA VAL 540 HA VAL 540 15.157 -11.155 -13.868 819 HB VAL 540 HB VAL 540 16.362 -13.227 -13.100 820 HG11 VAL 540 HG11 VAL 540 17.363 -12.178 -11.122 821 HG12 VAL 540 HG12 VAL 540 16.011 -11.049 -11.032 822 HG13 VAL 540 HG13 VAL 540 17.109 -11.003 -12.412 823 HG21 VAL 540 HG21 VAL 540 15.829 -14.113 -10.870 824 HG22 VAL 540 HG22 VAL 540 14.494 -14.346 -12.000 825 HG23 VAL 540 HG23 VAL 540 14.414 -13.061 -10.792 826 H LEU 541 H LEU 541 15.738 -13.102 -15.282 827 HA LEU 541 HA LEU 541 13.343 -13.977 -16.602 828 HB2 LEU 541 HB2 LEU 541 16.271 -14.501 -17.104 829 HB3 LEU 541 HB3 LEU 541 15.007 -15.202 -18.098 830 HG LEU 541 HG LEU 541 15.438 -12.228 -17.734 831 HD11 LEU 541 HD11 LEU 541 16.325 -12.268 -20.015 832 HD12 LEU 541 HD12 LEU 541 16.208 -14.028 -20.032 833 HD13 LEU 541 HD13 LEU 541 17.317 -13.228 -18.919 834 HD21 LEU 541 HD21 LEU 541 13.127 -12.824 -18.257 835 HD22 LEU 541 HD22 LEU 541 13.673 -13.779 -19.638 836 HD23 LEU 541 HD23 LEU 541 13.895 -12.029 -19.628 837 H GLU 542 H GLU 542 15.743 -15.548 -14.547 838 HA GLU 542 HA GLU 542 15.189 -18.222 -15.128 839 HB2 GLU 542 HB2 GLU 542 16.176 -18.724 -12.891 840 HB3 GLU 542 HB3 GLU 542 17.156 -17.658 -13.889 841 HG2 GLU 542 HG2 GLU 542 16.461 -15.739 -12.614 842 HG3 GLU 542 HG3 GLU 542 15.328 -16.718 -11.684 Start of MODEL 11 1 H1 MET 435 H1 MET 435 -11.065 18.223 20.457 2 H2 MET 435 H2 MET 435 -9.960 17.128 21.120 3 H3 MET 435 H3 MET 435 -11.300 16.560 20.265 4 HA MET 435 HA MET 435 -10.506 17.456 18.234 5 HB2 MET 435 HB2 MET 435 -8.255 18.524 18.132 6 HB3 MET 435 HB3 MET 435 -9.439 19.460 19.029 7 HG2 MET 435 HG2 MET 435 -8.474 18.721 21.129 8 HG3 MET 435 HG3 MET 435 -7.318 17.710 20.262 9 HE1 MET 435 HE1 MET 435 -5.299 18.800 21.550 10 HE2 MET 435 HE2 MET 435 -6.412 19.820 22.463 11 HE3 MET 435 HE3 MET 435 -5.016 20.538 21.657 12 H GLU 436 H GLU 436 -10.317 15.475 17.410 13 HA GLU 436 HA GLU 436 -8.128 13.730 18.364 14 HB2 GLU 436 HB2 GLU 436 -10.786 13.045 17.096 15 HB3 GLU 436 HB3 GLU 436 -9.505 11.870 17.332 16 HG2 GLU 436 HG2 GLU 436 -11.124 11.622 19.068 17 HG3 GLU 436 HG3 GLU 436 -9.638 12.258 19.767 18 H PHE 437 H PHE 437 -6.467 13.442 16.987 19 HA PHE 437 HA PHE 437 -6.982 13.728 14.089 20 HB2 PHE 437 HB2 PHE 437 -4.272 13.945 15.419 21 HB3 PHE 437 HB3 PHE 437 -4.694 14.361 13.767 22 HD1 PHE 437 HD1 PHE 437 -5.980 16.410 13.278 23 HD2 PHE 437 HD2 PHE 437 -4.686 15.470 17.230 24 HE1 PHE 437 HE1 PHE 437 -6.385 18.739 13.966 25 HE2 PHE 437 HE2 PHE 437 -5.088 17.796 17.916 26 HZ PHE 437 HZ PHE 437 -5.938 19.432 16.286 27 HA PRO 438 HA PRO 438 -6.070 9.356 14.109 28 HB2 PRO 438 HB2 PRO 438 -6.643 8.878 11.500 29 HB3 PRO 438 HB3 PRO 438 -7.876 9.102 12.742 30 HG2 PRO 438 HG2 PRO 438 -6.980 10.955 10.619 31 HG3 PRO 438 HG3 PRO 438 -8.560 10.814 11.397 32 HD2 PRO 438 HD2 PRO 438 -6.583 12.741 11.953 33 HD3 PRO 438 HD3 PRO 438 -8.034 12.412 12.917 34 H ASP 439 H ASP 439 -4.838 7.813 12.658 35 HA ASP 439 HA ASP 439 -2.550 8.955 11.274 36 HB2 ASP 439 HB2 ASP 439 -1.899 8.881 13.675 37 HB3 ASP 439 HB3 ASP 439 -2.240 7.155 13.704 38 H LEU 440 H LEU 440 -3.219 7.931 9.408 39 HA LEU 440 HA LEU 440 -3.847 5.074 9.423 40 HB2 LEU 440 HB2 LEU 440 -3.911 7.100 7.174 41 HB3 LEU 440 HB3 LEU 440 -4.465 5.442 7.054 42 HG LEU 440 HG LEU 440 -5.685 7.514 8.890 43 HD11 LEU 440 HD11 LEU 440 -6.027 8.135 6.558 44 HD12 LEU 440 HD12 LEU 440 -7.537 7.587 7.287 45 HD13 LEU 440 HD13 LEU 440 -6.643 6.520 6.202 46 HD21 LEU 440 HD21 LEU 440 -7.500 5.896 9.120 47 HD22 LEU 440 HD22 LEU 440 -5.969 5.203 9.653 48 HD23 LEU 440 HD23 LEU 440 -6.636 4.762 8.081 49 H THR 441 H THR 441 -2.181 3.677 9.257 50 HA THR 441 HA THR 441 0.100 4.437 7.528 51 HB THR 441 HB THR 441 0.784 4.210 9.874 52 HG1 THR 441 HG1 THR 441 2.446 3.633 8.618 53 HG21 THR 441 HG21 THR 441 -0.888 2.601 10.643 54 HG22 THR 441 HG22 THR 441 0.741 2.016 10.983 55 HG23 THR 441 HG23 THR 441 -0.170 1.350 9.629 56 H VAL 442 H VAL 442 1.015 2.878 6.177 57 HA VAL 442 HA VAL 442 -0.661 0.498 5.680 58 HB VAL 442 HB VAL 442 -0.194 0.725 3.275 59 HG11 VAL 442 HG11 VAL 442 -2.234 1.740 4.193 60 HG12 VAL 442 HG12 VAL 442 -1.622 2.664 2.822 61 HG13 VAL 442 HG13 VAL 442 -1.364 3.249 4.466 62 HG21 VAL 442 HG21 VAL 442 1.153 3.329 4.027 63 HG22 VAL 442 HG22 VAL 442 0.824 2.779 2.383 64 HG23 VAL 442 HG23 VAL 442 1.953 1.887 3.401 65 H GLU 443 H GLU 443 0.396 -1.388 5.020 66 HA GLU 443 HA GLU 443 3.349 -1.395 5.154 67 HB2 GLU 443 HB2 GLU 443 1.538 -3.475 6.409 68 HB3 GLU 443 HB3 GLU 443 3.292 -3.447 6.468 69 HG2 GLU 443 HG2 GLU 443 3.269 -1.478 7.852 70 HG3 GLU 443 HG3 GLU 443 1.521 -1.331 7.682 71 H ILE 444 H ILE 444 4.366 -2.758 3.685 72 HA ILE 444 HA ILE 444 2.582 -4.276 1.871 73 HB ILE 444 HB ILE 444 5.281 -3.076 1.194 74 HG12 ILE 444 HG12 ILE 444 2.490 -2.202 0.374 75 HG13 ILE 444 HG13 ILE 444 3.541 -1.348 1.500 76 HG21 ILE 444 HG21 ILE 444 4.723 -3.709 -1.123 77 HG22 ILE 444 HG22 ILE 444 3.244 -4.482 -0.550 78 HG23 ILE 444 HG23 ILE 444 4.816 -5.118 -0.066 79 HD11 ILE 444 HD11 ILE 444 5.149 -0.977 -0.312 80 HD12 ILE 444 HD12 ILE 444 3.565 -0.290 -0.673 81 HD13 ILE 444 HD13 ILE 444 4.064 -1.803 -1.431 82 H LYS 445 H LYS 445 2.921 -6.405 1.603 83 HA LYS 445 HA LYS 445 5.470 -7.585 2.496 84 HB2 LYS 445 HB2 LYS 445 3.793 -7.826 4.310 85 HB3 LYS 445 HB3 LYS 445 2.722 -8.659 3.192 86 HG2 LYS 445 HG2 LYS 445 4.340 -10.468 2.956 87 HG3 LYS 445 HG3 LYS 445 5.453 -9.625 4.035 88 HD2 LYS 445 HD2 LYS 445 3.823 -9.798 5.858 89 HD3 LYS 445 HD3 LYS 445 2.696 -10.622 4.776 90 HE2 LYS 445 HE2 LYS 445 4.301 -12.454 4.497 91 HE3 LYS 445 HE3 LYS 445 5.433 -11.630 5.570 92 HZ1 LYS 445 HZ1 LYS 445 3.852 -11.844 7.366 93 HZ2 LYS 445 HZ2 LYS 445 4.179 -13.364 6.704 94 HZ3 LYS 445 HZ3 LYS 445 2.728 -12.583 6.337 95 H GLY 446 H GLY 446 6.116 -9.468 1.397 96 HA2 GLY 446 HA2 GLY 446 4.735 -11.220 -0.138 97 HA3 GLY 446 HA3 GLY 446 4.921 -9.847 -1.217 98 HA PRO 447 HA PRO 447 8.670 -12.676 -1.567 99 HB2 PRO 447 HB2 PRO 447 8.554 -12.995 -4.273 100 HB3 PRO 447 HB3 PRO 447 7.702 -14.046 -3.137 101 HG2 PRO 447 HG2 PRO 447 6.653 -11.723 -4.718 102 HG3 PRO 447 HG3 PRO 447 5.914 -13.312 -4.437 103 HD2 PRO 447 HD2 PRO 447 5.179 -11.106 -3.048 104 HD3 PRO 447 HD3 PRO 447 5.160 -12.730 -2.330 105 H ASP 448 H ASP 448 10.607 -11.714 -1.665 106 HA ASP 448 HA ASP 448 10.953 -9.050 -2.641 107 HB2 ASP 448 HB2 ASP 448 13.071 -11.051 -1.810 108 HB3 ASP 448 HB3 ASP 448 13.277 -9.307 -1.943 109 H VAL 449 H VAL 449 11.951 -12.244 -3.804 110 HA VAL 449 HA VAL 449 12.799 -11.002 -6.352 111 HB VAL 449 HB VAL 449 13.808 -13.594 -5.146 112 HG11 VAL 449 HG11 VAL 449 14.657 -12.148 -7.664 113 HG12 VAL 449 HG12 VAL 449 13.792 -13.684 -7.581 114 HG13 VAL 449 HG13 VAL 449 15.447 -13.571 -6.981 115 HG21 VAL 449 HG21 VAL 449 14.649 -11.658 -3.925 116 HG22 VAL 449 HG22 VAL 449 15.186 -10.916 -5.433 117 HG23 VAL 449 HG23 VAL 449 15.942 -12.405 -4.863 118 H VAL 450 H VAL 450 11.748 -11.607 -8.158 119 HA VAL 450 HA VAL 450 10.122 -14.071 -8.118 120 HB VAL 450 HB VAL 450 8.314 -12.932 -9.336 121 HG11 VAL 450 HG11 VAL 450 8.172 -13.108 -6.900 122 HG12 VAL 450 HG12 VAL 450 7.409 -11.623 -7.472 123 HG13 VAL 450 HG13 VAL 450 9.010 -11.565 -6.731 124 HG21 VAL 450 HG21 VAL 450 9.927 -10.415 -8.863 125 HG22 VAL 450 HG22 VAL 450 8.278 -10.468 -9.488 126 HG23 VAL 450 HG23 VAL 450 9.597 -11.171 -10.423 127 H GLY 451 H GLY 451 9.477 -14.803 -10.313 128 HA2 GLY 451 HA2 GLY 451 11.742 -14.525 -12.150 129 HA3 GLY 451 HA3 GLY 451 10.496 -15.761 -12.210 130 H VAL 452 H VAL 452 11.508 -14.120 -14.382 131 HA VAL 452 HA VAL 452 9.665 -12.074 -15.044 132 HB VAL 452 HB VAL 452 11.931 -12.290 -16.035 133 HG11 VAL 452 HG11 VAL 452 10.737 -14.542 -17.658 134 HG12 VAL 452 HG12 VAL 452 11.966 -14.705 -16.403 135 HG13 VAL 452 HG13 VAL 452 12.333 -13.826 -17.886 136 HG21 VAL 452 HG21 VAL 452 11.312 -11.599 -18.308 137 HG22 VAL 452 HG22 VAL 452 10.288 -10.843 -17.086 138 HG23 VAL 452 HG23 VAL 452 9.674 -12.196 -18.039 139 H ASN 453 H ASN 453 7.787 -12.081 -16.178 140 HA ASN 453 HA ASN 453 5.822 -12.787 -17.048 141 HB2 ASN 453 HB2 ASN 453 7.424 -15.184 -17.982 142 HB3 ASN 453 HB3 ASN 453 5.787 -14.798 -18.503 143 HD21 ASN 453 HD21 ASN 453 9.128 -14.029 -18.806 144 HD22 ASN 453 HD22 ASN 453 8.962 -12.904 -20.106 145 H LYS 454 H LYS 454 6.865 -13.796 -14.311 146 HA LYS 454 HA LYS 454 5.016 -16.066 -13.981 147 HB2 LYS 454 HB2 LYS 454 7.170 -15.076 -12.100 148 HB3 LYS 454 HB3 LYS 454 6.168 -16.500 -11.855 149 HG2 LYS 454 HG2 LYS 454 8.212 -16.082 -14.033 150 HG3 LYS 454 HG3 LYS 454 8.342 -17.167 -12.651 151 HD2 LYS 454 HD2 LYS 454 6.323 -17.388 -14.893 152 HD3 LYS 454 HD3 LYS 454 7.766 -18.382 -14.708 153 HE2 LYS 454 HE2 LYS 454 6.876 -19.219 -12.557 154 HE3 LYS 454 HE3 LYS 454 5.412 -18.269 -12.817 155 HZ1 LYS 454 HZ1 LYS 454 4.939 -19.553 -14.781 156 HZ2 LYS 454 HZ2 LYS 454 5.158 -20.601 -13.470 157 HZ3 LYS 454 HZ3 LYS 454 6.383 -20.420 -14.623 158 H LEU 455 H LEU 455 3.878 -16.138 -11.798 159 HA LEU 455 HA LEU 455 2.510 -13.560 -11.437 160 HB2 LEU 455 HB2 LEU 455 1.218 -15.603 -12.105 161 HB3 LEU 455 HB3 LEU 455 1.637 -16.318 -10.558 162 HG LEU 455 HG LEU 455 0.435 -14.446 -9.421 163 HD11 LEU 455 HD11 LEU 455 -1.095 -13.068 -10.776 164 HD12 LEU 455 HD12 LEU 455 -0.375 -13.740 -12.241 165 HD13 LEU 455 HD13 LEU 455 0.602 -12.762 -11.146 166 HD21 LEU 455 HD21 LEU 455 -1.189 -16.079 -11.381 167 HD22 LEU 455 HD22 LEU 455 -1.825 -15.260 -9.953 168 HD23 LEU 455 HD23 LEU 455 -0.676 -16.584 -9.771 169 H ALA 456 H ALA 456 2.641 -12.443 -9.561 170 HA ALA 456 HA ALA 456 3.582 -13.852 -7.137 171 HB1 ALA 456 HB1 ALA 456 4.435 -11.095 -8.037 172 HB2 ALA 456 HB2 ALA 456 5.427 -12.552 -8.081 173 HB3 ALA 456 HB3 ALA 456 4.911 -11.885 -6.532 174 H GLU 457 H GLU 457 2.382 -13.515 -5.338 175 HA GLU 457 HA GLU 457 0.276 -11.452 -5.403 176 HB2 GLU 457 HB2 GLU 457 0.558 -14.004 -3.807 177 HB3 GLU 457 HB3 GLU 457 -0.653 -12.785 -3.430 178 HG2 GLU 457 HG2 GLU 457 -1.722 -13.086 -5.534 179 HG3 GLU 457 HG3 GLU 457 -0.425 -14.139 -6.111 180 H TYR 458 H TYR 458 0.227 -9.813 -3.959 181 HA TYR 458 HA TYR 458 2.141 -9.854 -1.705 182 HB2 TYR 458 HB2 TYR 458 1.424 -7.523 -3.505 183 HB3 TYR 458 HB3 TYR 458 2.338 -7.363 -2.010 184 HD1 TYR 458 HD1 TYR 458 2.416 -8.909 -5.397 185 HD2 TYR 458 HD2 TYR 458 4.674 -7.739 -1.981 186 HE1 TYR 458 HE1 TYR 458 4.498 -9.338 -6.630 187 HE2 TYR 458 HE2 TYR 458 6.758 -8.173 -3.205 188 HH TYR 458 HH TYR 458 7.569 -9.420 -5.075 189 H GLU 459 H GLU 459 1.515 -8.438 0.120 190 HA GLU 459 HA GLU 459 -1.419 -8.110 0.355 191 HB2 GLU 459 HB2 GLU 459 0.568 -8.786 2.542 192 HB3 GLU 459 HB3 GLU 459 -1.128 -8.425 2.809 193 HG2 GLU 459 HG2 GLU 459 -1.686 -10.418 1.396 194 HG3 GLU 459 HG3 GLU 459 0.036 -10.810 1.389 195 H VAL 460 H VAL 460 -2.080 -6.071 0.651 196 HA VAL 460 HA VAL 460 -0.234 -4.093 1.815 197 HB VAL 460 HB VAL 460 -2.926 -3.623 0.493 198 HG11 VAL 460 HG11 VAL 460 -2.356 -1.877 2.093 199 HG12 VAL 460 HG12 VAL 460 -2.234 -1.260 0.446 200 HG13 VAL 460 HG13 VAL 460 -0.773 -1.677 1.340 201 HG21 VAL 460 HG21 VAL 460 -1.646 -2.769 -1.422 202 HG22 VAL 460 HG22 VAL 460 -1.312 -4.474 -1.126 203 HG23 VAL 460 HG23 VAL 460 -0.143 -3.248 -0.632 204 H HIS 461 H HIS 461 -0.369 -3.949 3.966 205 HA HIS 461 HA HIS 461 -2.911 -4.464 5.335 206 HB2 HIS 461 HB2 HIS 461 -0.061 -4.235 6.300 207 HB3 HIS 461 HB3 HIS 461 -1.420 -4.288 7.414 208 HD1 HIS 461 HD1 HIS 461 -2.138 -6.541 8.132 209 HD2 HIS 461 HD2 HIS 461 0.105 -6.676 4.633 210 HE1 HIS 461 HE1 HIS 461 -1.809 -8.980 7.637 211 HE2 HIS 461 HE2 HIS 461 -0.311 -9.032 5.620 212 H VAL 462 H VAL 462 -4.191 -2.703 5.393 213 HA VAL 462 HA VAL 462 -2.972 -0.084 5.999 214 HB VAL 462 HB VAL 462 -4.922 0.964 5.027 215 HG11 VAL 462 HG11 VAL 462 -3.127 0.323 3.507 216 HG12 VAL 462 HG12 VAL 462 -4.688 0.208 2.698 217 HG13 VAL 462 HG13 VAL 462 -3.876 -1.253 3.258 218 HG21 VAL 462 HG21 VAL 462 -6.736 -0.333 3.979 219 HG22 VAL 462 HG22 VAL 462 -6.650 -0.628 5.716 220 HG23 VAL 462 HG23 VAL 462 -6.016 -1.825 4.586 221 H LYS 463 H LYS 463 -3.323 0.810 7.934 222 HA LYS 463 HA LYS 463 -5.579 -0.109 9.562 223 HB2 LYS 463 HB2 LYS 463 -3.947 -0.425 11.503 224 HB3 LYS 463 HB3 LYS 463 -4.010 -1.681 10.273 225 HG2 LYS 463 HG2 LYS 463 -1.948 -1.094 9.377 226 HG3 LYS 463 HG3 LYS 463 -1.987 0.519 10.085 227 HD2 LYS 463 HD2 LYS 463 -0.378 -0.878 11.261 228 HD3 LYS 463 HD3 LYS 463 -1.731 -0.468 12.318 229 HE2 LYS 463 HE2 LYS 463 -1.129 -2.796 12.596 230 HE3 LYS 463 HE3 LYS 463 -2.730 -2.664 11.877 231 HZ1 LYS 463 HZ1 LYS 463 -1.744 -3.113 9.708 232 HZ2 LYS 463 HZ2 LYS 463 -1.427 -4.370 10.790 233 HZ3 LYS 463 HZ3 LYS 463 -0.213 -3.255 10.411 234 H ASN 464 H ASN 464 -6.221 1.224 11.202 235 HA ASN 464 HA ASN 464 -5.129 3.954 11.189 236 HB2 ASN 464 HB2 ASN 464 -7.575 3.586 10.811 237 HB3 ASN 464 HB3 ASN 464 -7.690 2.874 12.414 238 HD21 ASN 464 HD21 ASN 464 -9.047 5.168 11.322 239 HD22 ASN 464 HD22 ASN 464 -8.666 6.497 12.352 240 H LEU 465 H LEU 465 -3.953 4.682 12.888 241 HA LEU 465 HA LEU 465 -3.852 3.004 15.319 242 HB2 LEU 465 HB2 LEU 465 -1.758 4.867 14.187 243 HB3 LEU 465 HB3 LEU 465 -1.586 3.914 15.653 244 HG LEU 465 HG LEU 465 -1.860 2.828 12.840 245 HD11 LEU 465 HD11 LEU 465 0.476 2.822 14.748 246 HD12 LEU 465 HD12 LEU 465 0.336 3.763 13.261 247 HD13 LEU 465 HD13 LEU 465 0.419 2.003 13.186 248 HD21 LEU 465 HD21 LEU 465 -1.480 0.622 13.846 249 HD22 LEU 465 HD22 LEU 465 -2.981 1.353 14.414 250 HD23 LEU 465 HD23 LEU 465 -1.555 1.344 15.454 251 H GLY 466 H GLY 466 -4.833 6.041 14.183 252 HA2 GLY 466 HA2 GLY 466 -4.154 7.715 16.370 253 HA3 GLY 466 HA3 GLY 466 -5.387 8.046 15.170 254 H GLY 467 H GLY 467 -6.725 5.413 15.992 255 HA2 GLY 467 HA2 GLY 467 -8.095 4.597 17.713 256 HA3 GLY 467 HA3 GLY 467 -7.623 5.961 18.712 257 H ILE 468 H ILE 468 -8.713 6.715 15.551 258 HA ILE 468 HA ILE 468 -11.484 7.162 16.419 259 HB ILE 468 HB ILE 468 -10.547 9.317 16.770 260 HG12 ILE 468 HG12 ILE 468 -11.784 9.357 13.998 261 HG13 ILE 468 HG13 ILE 468 -12.689 9.312 15.508 262 HG21 ILE 468 HG21 ILE 468 -9.246 9.117 14.052 263 HG22 ILE 468 HG22 ILE 468 -8.425 8.989 15.609 264 HG23 ILE 468 HG23 ILE 468 -9.177 10.511 15.131 265 HD11 ILE 468 HD11 ILE 468 -10.892 11.537 14.576 266 HD12 ILE 468 HD12 ILE 468 -11.767 11.499 16.108 267 HD13 ILE 468 HD13 ILE 468 -12.654 11.541 14.583 268 H GLY 469 H GLY 469 -13.017 6.822 14.839 269 HA2 GLY 469 HA2 GLY 469 -12.312 5.291 12.568 270 HA3 GLY 469 HA3 GLY 469 -13.902 5.946 12.909 271 H VAL 470 H VAL 470 -12.027 5.758 10.455 272 HA VAL 470 HA VAL 470 -12.314 8.562 9.579 273 HB VAL 470 HB VAL 470 -9.991 6.734 8.909 274 HG11 VAL 470 HG11 VAL 470 -10.484 9.623 8.169 275 HG12 VAL 470 HG12 VAL 470 -10.523 8.244 7.070 276 HG13 VAL 470 HG13 VAL 470 -9.008 8.715 7.839 277 HG21 VAL 470 HG21 VAL 470 -10.103 9.168 10.697 278 HG22 VAL 470 HG22 VAL 470 -8.635 8.306 10.233 279 HG23 VAL 470 HG23 VAL 470 -9.858 7.498 11.213 280 HA PRO 471 HA PRO 471 -14.331 6.408 6.080 281 HB2 PRO 471 HB2 PRO 471 -15.688 8.548 5.172 282 HB3 PRO 471 HB3 PRO 471 -16.218 7.657 6.604 283 HG2 PRO 471 HG2 PRO 471 -14.691 10.232 6.433 284 HG3 PRO 471 HG3 PRO 471 -16.047 9.806 7.495 285 HD2 PRO 471 HD2 PRO 471 -13.422 9.749 8.288 286 HD3 PRO 471 HD3 PRO 471 -14.685 8.729 9.002 287 H SER 472 H SER 472 -12.050 8.894 6.271 288 HA SER 472 HA SER 472 -11.900 9.615 3.485 289 HB2 SER 472 HB2 SER 472 -10.073 10.301 5.800 290 HB3 SER 472 HB3 SER 472 -10.008 11.032 4.197 291 HG SER 472 HG SER 472 -11.537 12.326 4.793 292 H THR 473 H THR 473 -11.167 6.744 4.528 293 HA THR 473 HA THR 473 -8.287 6.665 4.058 294 HB THR 473 HB THR 473 -10.160 4.416 4.849 295 HG1 THR 473 HG1 THR 473 -8.936 6.442 6.288 296 HG21 THR 473 HG21 THR 473 -8.077 3.603 3.838 297 HG22 THR 473 HG22 THR 473 -8.113 3.260 5.567 298 HG23 THR 473 HG23 THR 473 -7.140 4.596 4.955 299 H LYS 474 H LYS 474 -8.058 6.956 1.868 300 HA LYS 474 HA LYS 474 -9.046 4.796 0.107 301 HB2 LYS 474 HB2 LYS 474 -8.017 7.551 -0.634 302 HB3 LYS 474 HB3 LYS 474 -8.637 6.348 -1.759 303 HG2 LYS 474 HG2 LYS 474 -10.849 6.530 -0.834 304 HG3 LYS 474 HG3 LYS 474 -10.264 7.577 0.463 305 HD2 LYS 474 HD2 LYS 474 -9.611 9.256 -1.245 306 HD3 LYS 474 HD3 LYS 474 -10.313 8.220 -2.490 307 HE2 LYS 474 HE2 LYS 474 -12.506 8.438 -1.500 308 HE3 LYS 474 HE3 LYS 474 -11.841 9.340 -0.136 309 HZ1 LYS 474 HZ1 LYS 474 -11.900 10.225 -2.970 310 HZ2 LYS 474 HZ2 LYS 474 -11.156 11.072 -1.710 311 HZ3 LYS 474 HZ3 LYS 474 -12.829 10.845 -1.703 312 H VAL 475 H VAL 475 -7.585 3.357 -0.619 313 HA VAL 475 HA VAL 475 -4.725 3.855 -0.061 314 HB VAL 475 HB VAL 475 -6.113 1.197 -0.479 315 HG11 VAL 475 HG11 VAL 475 -3.385 1.848 0.650 316 HG12 VAL 475 HG12 VAL 475 -3.706 1.161 -0.942 317 HG13 VAL 475 HG13 VAL 475 -4.094 0.240 0.511 318 HG21 VAL 475 HG21 VAL 475 -5.391 2.577 2.112 319 HG22 VAL 475 HG22 VAL 475 -6.019 0.935 1.958 320 HG23 VAL 475 HG23 VAL 475 -7.022 2.309 1.494 321 H ARG 476 H ARG 476 -3.255 3.868 -1.684 322 HA ARG 476 HA ARG 476 -4.052 2.791 -4.321 323 HB2 ARG 476 HB2 ARG 476 -2.513 5.349 -3.813 324 HB3 ARG 476 HB3 ARG 476 -2.805 4.642 -5.396 325 HG2 ARG 476 HG2 ARG 476 -5.233 4.929 -5.055 326 HG3 ARG 476 HG3 ARG 476 -4.901 5.699 -3.500 327 HD2 ARG 476 HD2 ARG 476 -3.641 7.460 -4.642 328 HD3 ARG 476 HD3 ARG 476 -3.949 6.682 -6.195 329 HE ARG 476 HE ARG 476 -6.293 7.429 -4.656 330 HH11 ARG 476 HH11 ARG 476 -4.084 8.280 -7.162 331 HH12 ARG 476 HH12 ARG 476 -5.166 9.423 -7.871 332 HH21 ARG 476 HH21 ARG 476 -7.663 8.933 -5.586 333 HH22 ARG 476 HH22 ARG 476 -7.145 9.790 -6.996 334 H VAL 477 H VAL 477 -2.463 1.749 -5.517 335 HA VAL 477 HA VAL 477 0.161 1.383 -4.191 336 HB VAL 477 HB VAL 477 -1.460 -0.673 -5.722 337 HG11 VAL 477 HG11 VAL 477 0.889 -0.927 -6.311 338 HG12 VAL 477 HG12 VAL 477 0.394 -2.239 -5.242 339 HG13 VAL 477 HG13 VAL 477 1.345 -0.897 -4.607 340 HG21 VAL 477 HG21 VAL 477 -2.166 -0.310 -3.393 341 HG22 VAL 477 HG22 VAL 477 -0.518 -0.620 -2.846 342 HG23 VAL 477 HG23 VAL 477 -1.452 -1.909 -3.612 343 H TYR 478 H TYR 478 1.891 1.929 -5.358 344 HA TYR 478 HA TYR 478 1.632 2.182 -8.294 345 HB2 TYR 478 HB2 TYR 478 3.281 3.909 -6.424 346 HB3 TYR 478 HB3 TYR 478 3.233 4.058 -8.176 347 HD1 TYR 478 HD1 TYR 478 1.341 4.579 -5.058 348 HD2 TYR 478 HD2 TYR 478 1.392 5.160 -9.277 349 HE1 TYR 478 HE1 TYR 478 -0.521 6.169 -4.857 350 HE2 TYR 478 HE2 TYR 478 -0.467 6.753 -9.085 351 HH TYR 478 HH TYR 478 -1.551 7.956 -6.031 352 H ILE 479 H ILE 479 3.173 1.205 -9.517 353 HA ILE 479 HA ILE 479 5.546 0.075 -8.164 354 HB ILE 479 HB ILE 479 4.362 -0.690 -10.850 355 HG12 ILE 479 HG12 ILE 479 4.208 -2.141 -8.183 356 HG13 ILE 479 HG13 ILE 479 2.878 -1.275 -8.946 357 HG21 ILE 479 HG21 ILE 479 6.770 -1.095 -10.719 358 HG22 ILE 479 HG22 ILE 479 5.881 -2.619 -10.731 359 HG23 ILE 479 HG23 ILE 479 6.548 -1.997 -9.220 360 HD11 ILE 479 HD11 ILE 479 2.667 -3.660 -9.271 361 HD12 ILE 479 HD12 ILE 479 4.257 -3.721 -10.032 362 HD13 ILE 479 HD13 ILE 479 2.936 -2.850 -10.815 363 H ASN 480 H ASN 480 7.248 1.418 -8.345 364 HA ASN 480 HA ASN 480 8.718 2.980 -9.112 365 HB2 ASN 480 HB2 ASN 480 7.991 1.781 -11.800 366 HB3 ASN 480 HB3 ASN 480 9.355 2.853 -11.515 367 HD21 ASN 480 HD21 ASN 480 9.231 0.073 -12.462 368 HD22 ASN 480 HD22 ASN 480 10.264 -0.811 -11.395 369 H GLY 481 H GLY 481 6.000 3.849 -8.728 370 HA2 GLY 481 HA2 GLY 481 5.083 6.006 -8.948 371 HA3 GLY 481 HA3 GLY 481 6.042 6.254 -10.395 372 H THR 482 H THR 482 4.821 3.362 -11.026 373 HA THR 482 HA THR 482 2.703 4.448 -12.702 374 HB THR 482 HB THR 482 3.696 1.589 -12.475 375 HG1 THR 482 HG1 THR 482 5.291 3.158 -13.186 376 HG21 THR 482 HG21 THR 482 2.682 1.307 -14.704 377 HG22 THR 482 HG22 THR 482 2.047 2.951 -14.619 378 HG23 THR 482 HG23 THR 482 1.475 1.723 -13.488 379 H LEU 483 H LEU 483 0.569 4.348 -12.255 380 HA LEU 483 HA LEU 483 -0.365 3.353 -9.758 381 HB2 LEU 483 HB2 LEU 483 -1.395 5.284 -10.820 382 HB3 LEU 483 HB3 LEU 483 -1.881 4.306 -12.192 383 HG LEU 483 HG LEU 483 -3.365 2.990 -10.686 384 HD11 LEU 483 HD11 LEU 483 -2.628 5.080 -8.634 385 HD12 LEU 483 HD12 LEU 483 -2.190 3.371 -8.578 386 HD13 LEU 483 HD13 LEU 483 -3.883 3.851 -8.459 387 HD21 LEU 483 HD21 LEU 483 -3.862 5.969 -10.722 388 HD22 LEU 483 HD22 LEU 483 -5.083 4.722 -10.457 389 HD23 LEU 483 HD23 LEU 483 -4.258 4.832 -12.012 390 H TYR 484 H TYR 484 -0.771 1.282 -9.273 391 HA TYR 484 HA TYR 484 -1.333 -0.648 -11.402 392 HB2 TYR 484 HB2 TYR 484 0.390 -1.238 -9.792 393 HB3 TYR 484 HB3 TYR 484 -0.732 -1.009 -8.455 394 HD1 TYR 484 HD1 TYR 484 0.213 -3.212 -11.250 395 HD2 TYR 484 HD2 TYR 484 -2.377 -2.701 -7.906 396 HE1 TYR 484 HE1 TYR 484 -0.425 -5.584 -11.385 397 HE2 TYR 484 HE2 TYR 484 -3.014 -5.067 -8.030 398 HH TYR 484 HH TYR 484 -3.070 -6.870 -9.815 399 H LYS 485 H LYS 485 -2.811 0.505 -8.362 400 HA LYS 485 HA LYS 485 -5.467 0.136 -9.305 401 HB2 LYS 485 HB2 LYS 485 -4.831 -2.245 -8.916 402 HB3 LYS 485 HB3 LYS 485 -4.543 -1.866 -7.225 403 HG2 LYS 485 HG2 LYS 485 -6.878 -1.326 -6.902 404 HG3 LYS 485 HG3 LYS 485 -7.201 -1.572 -8.622 405 HD2 LYS 485 HD2 LYS 485 -6.564 -3.937 -8.391 406 HD3 LYS 485 HD3 LYS 485 -6.243 -3.681 -6.675 407 HE2 LYS 485 HE2 LYS 485 -8.417 -4.688 -6.918 408 HE3 LYS 485 HE3 LYS 485 -8.620 -3.021 -6.381 409 HZ1 LYS 485 HZ1 LYS 485 -10.189 -3.518 -8.102 410 HZ2 LYS 485 HZ2 LYS 485 -8.967 -4.034 -9.148 411 HZ3 LYS 485 HZ3 LYS 485 -9.069 -2.407 -8.701 412 H ASN 486 H ASN 486 -7.105 0.730 -7.663 413 HA ASN 486 HA ASN 486 -5.978 1.988 -5.246 414 HB2 ASN 486 HB2 ASN 486 -7.356 3.957 -5.518 415 HB3 ASN 486 HB3 ASN 486 -6.401 3.732 -6.979 416 HD21 ASN 486 HD21 ASN 486 -7.450 3.042 -8.878 417 HD22 ASN 486 HD22 ASN 486 -9.159 3.185 -9.062 418 H TRP 487 H TRP 487 -7.503 2.308 -3.508 419 HA TRP 487 HA TRP 487 -9.959 0.686 -3.607 420 HB2 TRP 487 HB2 TRP 487 -7.772 0.514 -1.518 421 HB3 TRP 487 HB3 TRP 487 -9.401 -0.090 -1.249 422 HD1 TRP 487 HD1 TRP 487 -10.099 -2.344 -2.469 423 HE1 TRP 487 HE1 TRP 487 -8.714 -4.216 -3.559 424 HE3 TRP 487 HE3 TRP 487 -5.640 0.120 -2.937 425 HZ2 TRP 487 HZ2 TRP 487 -6.081 -4.597 -4.498 426 HZ3 TRP 487 HZ3 TRP 487 -3.742 -1.074 -3.946 427 HH2 TRP 487 HH2 TRP 487 -3.956 -3.382 -4.708 428 H THR 488 H THR 488 -11.661 1.505 -2.385 429 HA THR 488 HA THR 488 -11.094 3.865 -0.684 430 HB THR 488 HB THR 488 -13.579 3.345 -2.349 431 HG1 THR 488 HG1 THR 488 -12.272 5.713 -2.723 432 HG21 THR 488 HG21 THR 488 -14.172 4.426 -0.228 433 HG22 THR 488 HG22 THR 488 -14.341 5.556 -1.572 434 HG23 THR 488 HG23 THR 488 -12.943 5.662 -0.503 435 H VAL 489 H VAL 489 -11.445 3.452 1.415 436 HA VAL 489 HA VAL 489 -13.624 1.683 2.249 437 HB VAL 489 HB VAL 489 -12.135 0.384 3.760 438 HG11 VAL 489 HG11 VAL 489 -12.824 -0.583 1.628 439 HG12 VAL 489 HG12 VAL 489 -11.197 -1.106 2.059 440 HG13 VAL 489 HG13 VAL 489 -11.425 0.143 0.834 441 HG21 VAL 489 HG21 VAL 489 -10.276 1.971 3.909 442 HG22 VAL 489 HG22 VAL 489 -9.881 1.679 2.214 443 HG23 VAL 489 HG23 VAL 489 -9.712 0.380 3.397 444 H SER 490 H SER 490 -13.652 1.538 4.739 445 HA SER 490 HA SER 490 -12.807 4.097 5.950 446 HB2 SER 490 HB2 SER 490 -14.893 3.998 7.343 447 HB3 SER 490 HB3 SER 490 -15.207 4.214 5.620 448 HG SER 490 HG SER 490 -16.284 2.428 7.106 449 H LEU 491 H LEU 491 -11.773 3.958 7.878 450 HA LEU 491 HA LEU 491 -11.518 1.270 9.101 451 HB2 LEU 491 HB2 LEU 491 -9.507 3.506 8.831 452 HB3 LEU 491 HB3 LEU 491 -9.271 2.148 9.914 453 HG LEU 491 HG LEU 491 -9.541 1.962 6.906 454 HD11 LEU 491 HD11 LEU 491 -7.168 1.359 6.959 455 HD12 LEU 491 HD12 LEU 491 -7.130 1.659 8.697 456 HD13 LEU 491 HD13 LEU 491 -7.437 2.988 7.577 457 HD21 LEU 491 HD21 LEU 491 -10.421 -0.022 8.006 458 HD22 LEU 491 HD22 LEU 491 -8.951 -0.162 8.971 459 HD23 LEU 491 HD23 LEU 491 -8.884 -0.385 7.222 460 H GLY 492 H GLY 492 -12.422 1.118 11.051 461 HA2 GLY 492 HA2 GLY 492 -13.135 3.407 12.627 462 HA3 GLY 492 HA3 GLY 492 -13.299 1.723 13.095 463 HA PRO 493 HA PRO 493 -9.948 3.797 15.661 464 HB2 PRO 493 HB2 PRO 493 -10.774 2.662 18.029 465 HB3 PRO 493 HB3 PRO 493 -11.318 4.237 17.441 466 HG2 PRO 493 HG2 PRO 493 -12.676 1.570 17.250 467 HG3 PRO 493 HG3 PRO 493 -13.372 3.154 17.645 468 HD2 PRO 493 HD2 PRO 493 -13.630 2.069 15.192 469 HD3 PRO 493 HD3 PRO 493 -13.432 3.822 15.416 470 H LYS 494 H LYS 494 -8.101 2.733 15.293 471 HA LYS 494 HA LYS 494 -6.426 1.212 15.473 472 HB2 LYS 494 HB2 LYS 494 -8.253 -0.183 17.444 473 HB3 LYS 494 HB3 LYS 494 -6.529 -0.468 17.260 474 HG2 LYS 494 HG2 LYS 494 -7.700 2.199 18.060 475 HG3 LYS 494 HG3 LYS 494 -7.176 0.967 19.215 476 HD2 LYS 494 HD2 LYS 494 -4.901 1.064 18.220 477 HD3 LYS 494 HD3 LYS 494 -5.449 2.364 17.158 478 HE2 LYS 494 HE2 LYS 494 -5.923 3.774 19.077 479 HE3 LYS 494 HE3 LYS 494 -5.498 2.467 20.179 480 HZ1 LYS 494 HZ1 LYS 494 -3.229 2.553 19.323 481 HZ2 LYS 494 HZ2 LYS 494 -3.699 4.040 19.978 482 HZ3 LYS 494 HZ3 LYS 494 -3.644 3.832 18.299 483 H GLU 495 H GLU 495 -8.727 0.817 13.559 484 HA GLU 495 HA GLU 495 -8.960 -2.084 13.328 485 HB2 GLU 495 HB2 GLU 495 -10.921 -0.565 13.058 486 HB3 GLU 495 HB3 GLU 495 -10.175 0.089 11.606 487 HG2 GLU 495 HG2 GLU 495 -11.888 -1.552 11.069 488 HG3 GLU 495 HG3 GLU 495 -10.295 -2.098 10.541 489 H GLU 496 H GLU 496 -8.492 -3.252 11.375 490 HA GLU 496 HA GLU 496 -6.673 -1.946 9.454 491 HB2 GLU 496 HB2 GLU 496 -5.213 -3.159 10.964 492 HB3 GLU 496 HB3 GLU 496 -6.202 -4.609 10.822 493 HG2 GLU 496 HG2 GLU 496 -5.622 -4.662 8.378 494 HG3 GLU 496 HG3 GLU 496 -4.485 -3.351 8.681 495 H LYS 497 H LYS 497 -6.851 -2.618 7.346 496 HA LYS 497 HA LYS 497 -8.581 -4.940 6.741 497 HB2 LYS 497 HB2 LYS 497 -8.191 -2.445 5.060 498 HB3 LYS 497 HB3 LYS 497 -9.156 -3.839 4.603 499 HG2 LYS 497 HG2 LYS 497 -9.716 -2.108 7.005 500 HG3 LYS 497 HG3 LYS 497 -10.468 -1.888 5.426 501 HD2 LYS 497 HD2 LYS 497 -10.640 -4.432 7.051 502 HD3 LYS 497 HD3 LYS 497 -11.861 -3.160 7.071 503 HE2 LYS 497 HE2 LYS 497 -12.130 -3.460 4.610 504 HE3 LYS 497 HE3 LYS 497 -11.015 -4.825 4.697 505 HZ1 LYS 497 HZ1 LYS 497 -13.581 -4.631 6.176 506 HZ2 LYS 497 HZ2 LYS 497 -12.536 -5.960 6.151 507 HZ3 LYS 497 HZ3 LYS 497 -13.355 -5.499 4.743 508 H VAL 498 H VAL 498 -7.595 -6.555 5.612 509 HA VAL 498 HA VAL 498 -4.888 -6.049 4.566 510 HB VAL 498 HB VAL 498 -6.268 -8.705 5.055 511 HG11 VAL 498 HG11 VAL 498 -3.381 -8.087 4.397 512 HG12 VAL 498 HG12 VAL 498 -4.554 -8.823 3.306 513 HG13 VAL 498 HG13 VAL 498 -4.041 -9.684 4.757 514 HG21 VAL 498 HG21 VAL 498 -4.191 -7.249 6.706 515 HG22 VAL 498 HG22 VAL 498 -4.763 -8.892 7.003 516 HG23 VAL 498 HG23 VAL 498 -5.874 -7.531 7.154 517 H LEU 499 H LEU 499 -4.662 -5.695 2.477 518 HA LEU 499 HA LEU 499 -6.683 -6.691 0.572 519 HB2 LEU 499 HB2 LEU 499 -4.639 -4.488 0.214 520 HB3 LEU 499 HB3 LEU 499 -5.934 -4.896 -0.898 521 HG LEU 499 HG LEU 499 -6.359 -3.838 1.906 522 HD11 LEU 499 HD11 LEU 499 -6.971 -1.727 0.832 523 HD12 LEU 499 HD12 LEU 499 -6.522 -2.389 -0.739 524 HD13 LEU 499 HD13 LEU 499 -5.292 -2.153 0.503 525 HD21 LEU 499 HD21 LEU 499 -8.670 -3.508 1.189 526 HD22 LEU 499 HD22 LEU 499 -8.212 -5.208 1.077 527 HD23 LEU 499 HD23 LEU 499 -8.298 -4.219 -0.382 528 H THR 500 H THR 500 -6.039 -7.803 -1.303 529 HA THR 500 HA THR 500 -3.175 -8.490 -1.547 530 HB THR 500 HB THR 500 -3.941 -10.726 -2.501 531 HG1 THR 500 HG1 THR 500 -6.041 -11.403 -1.745 532 HG21 THR 500 HG21 THR 500 -2.927 -10.580 -0.289 533 HG22 THR 500 HG22 THR 500 -4.217 -11.783 -0.304 534 HG23 THR 500 HG23 THR 500 -4.497 -10.199 0.424 535 H PHE 501 H PHE 501 -2.332 -8.654 -3.600 536 HA PHE 501 HA PHE 501 -4.109 -8.550 -5.907 537 HB2 PHE 501 HB2 PHE 501 -2.925 -6.674 -6.957 538 HB3 PHE 501 HB3 PHE 501 -3.678 -6.180 -5.448 539 HD1 PHE 501 HD1 PHE 501 -2.274 -5.728 -3.449 540 HD2 PHE 501 HD2 PHE 501 -0.546 -6.595 -7.251 541 HE1 PHE 501 HE1 PHE 501 -0.125 -4.809 -2.686 542 HE2 PHE 501 HE2 PHE 501 1.603 -5.676 -6.482 543 HZ PHE 501 HZ PHE 501 1.814 -4.781 -4.198 544 H SER 502 H SER 502 -3.150 -9.316 -7.839 545 HA SER 502 HA SER 502 -0.614 -10.766 -7.410 546 HB2 SER 502 HB2 SER 502 -1.444 -12.384 -9.107 547 HB3 SER 502 HB3 SER 502 -2.478 -12.294 -7.684 548 HG SER 502 HG SER 502 -4.049 -11.780 -8.966 549 H TRP 503 H TRP 503 1.027 -9.928 -8.450 550 HA TRP 503 HA TRP 503 0.589 -8.348 -10.893 551 HB2 TRP 503 HB2 TRP 503 1.555 -7.112 -9.023 552 HB3 TRP 503 HB3 TRP 503 2.838 -8.303 -8.857 553 HD1 TRP 503 HD1 TRP 503 1.616 -6.242 -11.934 554 HE1 TRP 503 HE1 TRP 503 3.676 -5.120 -12.989 555 HE3 TRP 503 HE3 TRP 503 5.184 -7.888 -8.666 556 HZ2 TRP 503 HZ2 TRP 503 6.457 -4.952 -12.491 557 HZ3 TRP 503 HZ3 TRP 503 7.519 -7.200 -9.017 558 HH2 TRP 503 HH2 TRP 503 8.144 -5.761 -10.891 559 H THR 504 H THR 504 1.616 -8.852 -12.781 560 HA THR 504 HA THR 504 3.493 -11.146 -12.768 561 HB THR 504 HB THR 504 1.520 -10.402 -14.952 562 HG1 THR 504 HG1 THR 504 0.889 -11.602 -12.871 563 HG21 THR 504 HG21 THR 504 2.266 -12.492 -16.040 564 HG22 THR 504 HG22 THR 504 3.505 -12.684 -14.800 565 HG23 THR 504 HG23 THR 504 3.574 -11.316 -15.911 566 HA PRO 505 HA PRO 505 5.985 -7.782 -14.589 567 HB2 PRO 505 HB2 PRO 505 8.365 -8.574 -13.639 568 HB3 PRO 505 HB3 PRO 505 7.172 -7.781 -12.604 569 HG2 PRO 505 HG2 PRO 505 7.846 -10.689 -12.834 570 HG3 PRO 505 HG3 PRO 505 7.505 -9.728 -11.382 571 HD2 PRO 505 HD2 PRO 505 5.668 -11.364 -12.651 572 HD3 PRO 505 HD3 PRO 505 5.244 -10.001 -11.596 573 H THR 506 H THR 506 6.045 -8.142 -16.772 574 HA THR 506 HA THR 506 7.174 -10.584 -17.883 575 HB THR 506 HB THR 506 6.571 -9.662 -20.076 576 HG1 THR 506 HG1 THR 506 6.166 -7.591 -20.338 577 HG21 THR 506 HG21 THR 506 4.139 -9.527 -19.761 578 HG22 THR 506 HG22 THR 506 4.371 -9.303 -18.026 579 HG23 THR 506 HG23 THR 506 4.834 -10.824 -18.791 580 H GLN 507 H GLN 507 8.367 -7.512 -17.016 581 HA GLN 507 HA GLN 507 10.748 -7.858 -18.736 582 HB2 GLN 507 HB2 GLN 507 9.504 -5.742 -19.071 583 HB3 GLN 507 HB3 GLN 507 9.750 -5.342 -17.377 584 HG2 GLN 507 HG2 GLN 507 12.216 -5.400 -17.797 585 HG3 GLN 507 HG3 GLN 507 11.862 -5.600 -19.513 586 HE21 GLN 507 HE21 GLN 507 10.056 -3.587 -17.266 587 HE22 GLN 507 HE22 GLN 507 10.471 -2.086 -18.008 588 H GLU 508 H GLU 508 12.715 -8.127 -17.802 589 HA GLU 508 HA GLU 508 12.864 -8.625 -14.979 590 HB2 GLU 508 HB2 GLU 508 15.384 -8.956 -15.561 591 HB3 GLU 508 HB3 GLU 508 14.197 -10.113 -16.137 592 HG2 GLU 508 HG2 GLU 508 15.811 -9.633 -17.863 593 HG3 GLU 508 HG3 GLU 508 14.219 -9.054 -18.341 594 H GLY 509 H GLY 509 14.258 -7.649 -13.460 595 HA2 GLY 509 HA2 GLY 509 15.941 -5.721 -13.248 596 HA3 GLY 509 HA3 GLY 509 14.644 -4.759 -13.943 597 H MET 510 H MET 510 15.491 -3.833 -11.615 598 HA MET 510 HA MET 510 13.931 -4.993 -9.449 599 HB2 MET 510 HB2 MET 510 15.746 -2.573 -9.490 600 HB3 MET 510 HB3 MET 510 14.944 -3.203 -8.056 601 HG2 MET 510 HG2 MET 510 16.149 -5.385 -8.496 602 HG3 MET 510 HG3 MET 510 17.103 -4.506 -9.692 603 HE1 MET 510 HE1 MET 510 17.043 -3.484 -5.189 604 HE2 MET 510 HE2 MET 510 16.143 -4.826 -5.898 605 HE3 MET 510 HE3 MET 510 15.689 -3.163 -6.273 606 H TYR 511 H TYR 511 11.982 -4.347 -8.833 607 HA TYR 511 HA TYR 511 10.931 -1.767 -9.822 608 HB2 TYR 511 HB2 TYR 511 9.467 -4.388 -9.403 609 HB3 TYR 511 HB3 TYR 511 8.674 -2.859 -9.762 610 HD1 TYR 511 HD1 TYR 511 11.187 -5.259 -11.136 611 HD2 TYR 511 HD2 TYR 511 8.334 -2.209 -11.986 612 HE1 TYR 511 HE1 TYR 511 11.440 -5.692 -13.540 613 HE2 TYR 511 HE2 TYR 511 8.583 -2.645 -14.390 614 HH TYR 511 HH TYR 511 10.222 -5.392 -15.595 615 H ARG 512 H ARG 512 10.578 -0.356 -8.230 616 HA ARG 512 HA ARG 512 10.259 -1.307 -5.481 617 HB2 ARG 512 HB2 ARG 512 11.883 0.464 -5.820 618 HB3 ARG 512 HB3 ARG 512 10.680 1.472 -6.612 619 HG2 ARG 512 HG2 ARG 512 9.476 1.769 -4.559 620 HG3 ARG 512 HG3 ARG 512 10.492 0.588 -3.734 621 HD2 ARG 512 HD2 ARG 512 11.077 2.932 -3.187 622 HD3 ARG 512 HD3 ARG 512 12.410 2.032 -3.906 623 HE ARG 512 HE ARG 512 12.263 3.359 -5.809 624 HH11 ARG 512 HH11 ARG 512 9.714 4.119 -3.629 625 HH12 ARG 512 HH12 ARG 512 9.388 5.649 -4.358 626 HH21 ARG 512 HH21 ARG 512 11.840 5.332 -6.741 627 HH22 ARG 512 HH22 ARG 512 10.586 6.333 -6.100 628 H ILE 513 H ILE 513 8.288 -1.699 -4.762 629 HA ILE 513 HA ILE 513 5.970 -0.330 -5.929 630 HB ILE 513 HB ILE 513 6.063 -2.744 -4.100 631 HG12 ILE 513 HG12 ILE 513 5.630 -2.582 -7.101 632 HG13 ILE 513 HG13 ILE 513 7.083 -3.185 -6.311 633 HG21 ILE 513 HG21 ILE 513 3.760 -1.575 -5.674 634 HG22 ILE 513 HG22 ILE 513 3.962 -1.499 -3.923 635 HG23 ILE 513 HG23 ILE 513 3.712 -3.055 -4.713 636 HD11 ILE 513 HD11 ILE 513 5.777 -5.015 -5.335 637 HD12 ILE 513 HD12 ILE 513 5.702 -5.007 -7.098 638 HD13 ILE 513 HD13 ILE 513 4.337 -4.411 -6.156 639 H ASN 514 H ASN 514 5.011 1.284 -4.865 640 HA ASN 514 HA ASN 514 5.320 1.454 -1.928 641 HB2 ASN 514 HB2 ASN 514 5.264 3.676 -3.978 642 HB3 ASN 514 HB3 ASN 514 5.070 3.956 -2.249 643 HD21 ASN 514 HD21 ASN 514 6.823 3.526 -0.870 644 HD22 ASN 514 HD22 ASN 514 8.440 3.480 -1.467 645 H ALA 515 H ALA 515 3.528 1.715 -0.714 646 HA ALA 515 HA ALA 515 0.950 2.134 -2.106 647 HB1 ALA 515 HB1 ALA 515 1.081 -0.041 -1.000 648 HB2 ALA 515 HB2 ALA 515 -0.130 0.987 -0.230 649 HB3 ALA 515 HB3 ALA 515 1.445 0.749 0.534 650 H THR 516 H THR 516 -0.508 3.625 -1.307 651 HA THR 516 HA THR 516 0.419 5.426 0.850 652 HB THR 516 HB THR 516 -0.347 7.364 -0.422 653 HG1 THR 516 HG1 THR 516 -0.917 6.923 -2.725 654 HG21 THR 516 HG21 THR 516 1.301 7.364 -2.260 655 HG22 THR 516 HG22 THR 516 1.497 5.621 -2.074 656 HG23 THR 516 HG23 THR 516 1.983 6.707 -0.772 657 H VAL 517 H VAL 517 -1.275 6.558 1.982 658 HA VAL 517 HA VAL 517 -4.028 5.798 1.244 659 HB VAL 517 HB VAL 517 -3.434 4.503 3.219 660 HG11 VAL 517 HG11 VAL 517 -2.924 5.607 5.364 661 HG12 VAL 517 HG12 VAL 517 -2.837 7.157 4.525 662 HG13 VAL 517 HG13 VAL 517 -1.679 5.882 4.146 663 HG21 VAL 517 HG21 VAL 517 -5.734 5.261 3.014 664 HG22 VAL 517 HG22 VAL 517 -5.338 6.758 3.859 665 HG23 VAL 517 HG23 VAL 517 -5.254 5.215 4.711 666 H ASP 518 H ASP 518 -5.566 7.350 1.377 667 HA ASP 518 HA ASP 518 -6.314 9.435 0.892 668 HB2 ASP 518 HB2 ASP 518 -6.700 9.178 3.348 669 HB3 ASP 518 HB3 ASP 518 -5.218 10.092 3.628 670 H GLU 519 H GLU 519 -4.305 9.450 -0.669 671 HA GLU 519 HA GLU 519 -2.289 11.366 -0.277 672 HB2 GLU 519 HB2 GLU 519 -3.622 10.393 -2.807 673 HB3 GLU 519 HB3 GLU 519 -2.280 11.531 -2.813 674 HG2 GLU 519 HG2 GLU 519 -0.944 9.836 -1.546 675 HG3 GLU 519 HG3 GLU 519 -2.261 8.694 -1.805 676 H GLU 520 H GLU 520 -5.655 11.715 -1.100 677 HA GLU 520 HA GLU 520 -5.552 14.326 -2.195 678 HB2 GLU 520 HB2 GLU 520 -7.903 13.056 -0.784 679 HB3 GLU 520 HB3 GLU 520 -7.949 14.344 -1.982 680 HG2 GLU 520 HG2 GLU 520 -6.998 12.719 -3.634 681 HG3 GLU 520 HG3 GLU 520 -7.215 11.458 -2.422 682 H ASN 521 H ASN 521 -5.075 13.286 0.980 683 HA ASN 521 HA ASN 521 -4.843 14.339 2.977 684 HB2 ASN 521 HB2 ASN 521 -4.665 16.811 1.233 685 HB3 ASN 521 HB3 ASN 521 -4.177 16.723 2.923 686 HD21 ASN 521 HD21 ASN 521 -2.604 17.354 0.542 687 HD22 ASN 521 HD22 ASN 521 -1.304 16.218 0.526 688 H THR 522 H THR 522 -7.394 13.685 2.577 689 HA THR 522 HA THR 522 -9.125 16.018 2.901 690 HB THR 522 HB THR 522 -11.001 14.445 2.872 691 HG1 THR 522 HG1 THR 522 -8.937 12.468 2.834 692 HG21 THR 522 HG21 THR 522 -10.147 15.221 0.731 693 HG22 THR 522 HG22 THR 522 -10.689 13.548 0.594 694 HG23 THR 522 HG23 THR 522 -8.966 13.911 0.698 695 H VAL 523 H VAL 523 -7.403 13.889 4.918 696 HA VAL 523 HA VAL 523 -8.885 14.927 7.252 697 HB VAL 523 HB VAL 523 -9.464 12.557 6.948 698 HG11 VAL 523 HG11 VAL 523 -7.452 11.791 5.806 699 HG12 VAL 523 HG12 VAL 523 -7.776 10.799 7.227 700 HG13 VAL 523 HG13 VAL 523 -6.508 12.023 7.280 701 HG21 VAL 523 HG21 VAL 523 -9.409 13.468 9.211 702 HG22 VAL 523 HG22 VAL 523 -7.699 13.051 9.355 703 HG23 VAL 523 HG23 VAL 523 -8.910 11.777 9.211 704 H VAL 524 H VAL 524 -7.648 15.566 9.014 705 HA VAL 524 HA VAL 524 -4.853 16.109 8.464 706 HB VAL 524 HB VAL 524 -6.526 16.804 10.896 707 HG11 VAL 524 HG11 VAL 524 -4.152 16.773 11.450 708 HG12 VAL 524 HG12 VAL 524 -4.747 18.432 11.407 709 HG13 VAL 524 HG13 VAL 524 -3.793 17.804 10.064 710 HG21 VAL 524 HG21 VAL 524 -5.764 18.461 8.485 711 HG22 VAL 524 HG22 VAL 524 -6.603 19.065 9.915 712 HG23 VAL 524 HG23 VAL 524 -7.376 17.863 8.878 713 H GLU 525 H GLU 525 -3.369 14.615 8.855 714 HA GLU 525 HA GLU 525 -3.846 12.493 10.813 715 HB2 GLU 525 HB2 GLU 525 -1.661 12.777 8.730 716 HB3 GLU 525 HB3 GLU 525 -1.999 11.342 9.682 717 HG2 GLU 525 HG2 GLU 525 -4.038 12.533 7.825 718 HG3 GLU 525 HG3 GLU 525 -2.818 11.386 7.272 719 H LEU 526 H LEU 526 -2.104 11.746 12.189 720 HA LEU 526 HA LEU 526 -0.709 13.805 13.577 721 HB2 LEU 526 HB2 LEU 526 -0.417 10.796 13.696 722 HB3 LEU 526 HB3 LEU 526 0.349 11.912 14.811 723 HG LEU 526 HG LEU 526 -2.641 11.553 14.482 724 HD11 LEU 526 HD11 LEU 526 -0.791 10.655 16.695 725 HD12 LEU 526 HD12 LEU 526 -1.588 9.612 15.516 726 HD13 LEU 526 HD13 LEU 526 -2.550 10.509 16.689 727 HD21 LEU 526 HD21 LEU 526 -1.051 13.230 16.434 728 HD22 LEU 526 HD22 LEU 526 -2.794 12.962 16.499 729 HD23 LEU 526 HD23 LEU 526 -2.085 13.828 15.138 730 H ASN 527 H ASN 527 0.284 11.406 11.150 731 HA ASN 527 HA ASN 527 2.829 12.863 10.806 732 HB2 ASN 527 HB2 ASN 527 2.689 9.838 10.786 733 HB3 ASN 527 HB3 ASN 527 4.130 10.850 10.729 734 HD21 ASN 527 HD21 ASN 527 1.641 9.520 12.718 735 HD22 ASN 527 HD22 ASN 527 2.365 9.914 14.238 736 H GLU 528 H GLU 528 3.165 13.368 8.689 737 HA GLU 528 HA GLU 528 1.425 12.237 6.656 738 HB2 GLU 528 HB2 GLU 528 1.981 14.654 6.695 739 HB3 GLU 528 HB3 GLU 528 3.666 14.262 6.388 740 HG2 GLU 528 HG2 GLU 528 2.951 13.208 4.234 741 HG3 GLU 528 HG3 GLU 528 1.325 13.813 4.542 742 H ASN 529 H ASN 529 4.688 11.825 7.738 743 HA ASN 529 HA ASN 529 5.627 10.440 5.387 744 HB2 ASN 529 HB2 ASN 529 7.632 9.983 6.825 745 HB3 ASN 529 HB3 ASN 529 7.222 11.690 6.688 746 HD21 ASN 529 HD21 ASN 529 7.494 8.988 8.808 747 HD22 ASN 529 HD22 ASN 529 7.145 9.840 10.270 748 H ASN 530 H ASN 530 3.473 9.507 7.679 749 HA ASN 530 HA ASN 530 4.475 6.773 8.036 750 HB2 ASN 530 HB2 ASN 530 3.638 8.041 9.995 751 HB3 ASN 530 HB3 ASN 530 2.054 8.143 9.237 752 HD21 ASN 530 HD21 ASN 530 1.043 7.053 10.889 753 HD22 ASN 530 HD22 ASN 530 1.259 5.362 11.163 754 H ASN 531 H ASN 531 2.155 8.530 6.175 755 HA ASN 531 HA ASN 531 0.326 6.342 5.759 756 HB2 ASN 531 HB2 ASN 531 0.532 9.050 4.417 757 HB3 ASN 531 HB3 ASN 531 -0.783 7.905 4.166 758 HD21 ASN 531 HD21 ASN 531 -2.404 9.120 5.023 759 HD22 ASN 531 HD22 ASN 531 -2.500 9.548 6.696 760 H VAL 532 H VAL 532 3.284 6.268 4.750 761 HA VAL 532 HA VAL 532 2.612 5.139 2.113 762 HB VAL 532 HB VAL 532 5.032 6.888 2.654 763 HG11 VAL 532 HG11 VAL 532 5.548 6.605 0.273 764 HG12 VAL 532 HG12 VAL 532 4.191 5.491 0.106 765 HG13 VAL 532 HG13 VAL 532 5.567 5.056 1.120 766 HG21 VAL 532 HG21 VAL 532 3.000 8.212 2.412 767 HG22 VAL 532 HG22 VAL 532 2.607 7.376 0.910 768 HG23 VAL 532 HG23 VAL 532 4.031 8.414 0.995 769 H ALA 533 H ALA 533 3.696 3.282 1.553 770 HA ALA 533 HA ALA 533 5.765 2.257 3.405 771 HB1 ALA 533 HB1 ALA 533 4.853 0.013 3.177 772 HB2 ALA 533 HB2 ALA 533 3.583 0.616 2.111 773 HB3 ALA 533 HB3 ALA 533 3.625 1.112 3.803 774 H THR 534 H THR 534 7.461 1.072 2.480 775 HA THR 534 HA THR 534 7.588 1.136 -0.478 776 HB THR 534 HB THR 534 9.885 1.673 1.424 777 HG1 THR 534 HG1 THR 534 9.286 3.688 1.268 778 HG21 THR 534 HG21 THR 534 9.750 1.707 -1.600 779 HG22 THR 534 HG22 THR 534 10.647 0.561 -0.605 780 HG23 THR 534 HG23 THR 534 11.122 2.257 -0.641 781 H PHE 535 H PHE 535 7.914 -0.792 -1.403 782 HA PHE 535 HA PHE 535 9.602 -2.784 -0.026 783 HB2 PHE 535 HB2 PHE 535 7.170 -3.351 0.221 784 HB3 PHE 535 HB3 PHE 535 7.051 -3.441 -1.531 785 HD1 PHE 535 HD1 PHE 535 8.042 -5.307 -2.753 786 HD2 PHE 535 HD2 PHE 535 8.296 -5.074 1.495 787 HE1 PHE 535 HE1 PHE 535 8.698 -7.675 -2.663 788 HE2 PHE 535 HE2 PHE 535 8.957 -7.443 1.584 789 HZ PHE 535 HZ PHE 535 9.158 -8.744 -0.494 790 H ASP 536 H ASP 536 11.252 -3.448 -1.297 791 HA ASP 536 HA ASP 536 11.160 -2.776 -4.154 792 HB2 ASP 536 HB2 ASP 536 13.652 -3.102 -4.044 793 HB3 ASP 536 HB3 ASP 536 13.031 -1.803 -3.032 794 H VAL 537 H VAL 537 11.130 -4.242 -5.714 795 HA VAL 537 HA VAL 537 11.448 -7.103 -5.023 796 HB VAL 537 HB VAL 537 9.732 -5.907 -7.222 797 HG11 VAL 537 HG11 VAL 537 9.936 -8.748 -6.208 798 HG12 VAL 537 HG12 VAL 537 10.511 -8.148 -7.764 799 HG13 VAL 537 HG13 VAL 537 8.784 -8.168 -7.410 800 HG21 VAL 537 HG21 VAL 537 8.905 -7.024 -4.537 801 HG22 VAL 537 HG22 VAL 537 7.804 -6.547 -5.830 802 HG23 VAL 537 HG23 VAL 537 8.814 -5.336 -5.041 803 H SER 538 H SER 538 12.632 -8.425 -6.405 804 HA SER 538 HA SER 538 14.041 -7.101 -8.649 805 HB2 SER 538 HB2 SER 538 15.608 -7.679 -6.856 806 HB3 SER 538 HB3 SER 538 15.050 -9.352 -6.882 807 HG SER 538 HG SER 538 16.826 -9.375 -8.146 808 H VAL 539 H VAL 539 13.278 -7.770 -10.546 809 HA VAL 539 HA VAL 539 12.127 -10.453 -10.819 810 HB VAL 539 HB VAL 539 12.154 -8.201 -12.843 811 HG11 VAL 539 HG11 VAL 539 10.501 -10.730 -12.703 812 HG12 VAL 539 HG12 VAL 539 11.806 -10.399 -13.843 813 HG13 VAL 539 HG13 VAL 539 10.321 -9.449 -13.904 814 HG21 VAL 539 HG21 VAL 539 10.979 -7.513 -10.807 815 HG22 VAL 539 HG22 VAL 539 9.978 -8.964 -10.886 816 HG23 VAL 539 HG23 VAL 539 9.854 -7.736 -12.146 817 H VAL 540 H VAL 540 13.312 -12.075 -11.627 818 HA VAL 540 HA VAL 540 15.687 -11.420 -13.272 819 HB VAL 540 HB VAL 540 16.667 -13.556 -12.452 820 HG11 VAL 540 HG11 VAL 540 17.240 -12.749 -10.210 821 HG12 VAL 540 HG12 VAL 540 15.904 -11.599 -10.277 822 HG13 VAL 540 HG13 VAL 540 17.264 -11.436 -11.388 823 HG21 VAL 540 HG21 VAL 540 15.675 -14.658 -10.491 824 HG22 VAL 540 HG22 VAL 540 14.599 -14.733 -11.886 825 HG23 VAL 540 HG23 VAL 540 14.284 -13.580 -10.589 826 H LEU 541 H LEU 541 16.395 -13.191 -14.768 827 HA LEU 541 HA LEU 541 14.144 -14.057 -16.373 828 HB2 LEU 541 HB2 LEU 541 17.126 -14.352 -16.764 829 HB3 LEU 541 HB3 LEU 541 15.925 -14.873 -17.931 830 HG LEU 541 HG LEU 541 16.324 -12.016 -17.018 831 HD11 LEU 541 HD11 LEU 541 17.247 -11.629 -19.245 832 HD12 LEU 541 HD12 LEU 541 17.097 -13.349 -19.613 833 HD13 LEU 541 HD13 LEU 541 18.208 -12.809 -18.353 834 HD21 LEU 541 HD21 LEU 541 14.018 -12.451 -17.657 835 HD22 LEU 541 HD22 LEU 541 14.551 -13.181 -19.171 836 HD23 LEU 541 HD23 LEU 541 14.812 -11.462 -18.881 837 H GLU 542 H GLU 542 15.562 -15.412 -13.742 838 HA GLU 542 HA GLU 542 15.259 -18.183 -14.702 839 HB2 GLU 542 HB2 GLU 542 16.593 -18.730 -12.575 840 HB3 GLU 542 HB3 GLU 542 17.451 -17.961 -13.903 841 HG2 GLU 542 HG2 GLU 542 17.341 -15.816 -12.788 842 HG3 GLU 542 HG3 GLU 542 16.373 -16.507 -11.490 Start of MODEL 12 1 H1 MET 435 H1 MET 435 -10.340 17.137 20.904 2 H2 MET 435 H2 MET 435 -11.413 15.905 20.470 3 H3 MET 435 H3 MET 435 -11.886 17.524 20.339 4 HA MET 435 HA MET 435 -11.377 16.633 18.176 5 HB2 MET 435 HB2 MET 435 -10.889 19.024 18.703 6 HB3 MET 435 HB3 MET 435 -9.239 18.572 19.104 7 HG2 MET 435 HG2 MET 435 -8.861 17.849 16.811 8 HG3 MET 435 HG3 MET 435 -10.532 18.236 16.399 9 HE1 MET 435 HE1 MET 435 -8.116 19.337 14.699 10 HE2 MET 435 HE2 MET 435 -8.558 21.033 14.504 11 HE3 MET 435 HE3 MET 435 -9.790 19.779 14.367 12 H GLU 436 H GLU 436 -10.695 14.573 17.862 13 HA GLU 436 HA GLU 436 -7.984 13.784 18.648 14 HB2 GLU 436 HB2 GLU 436 -10.255 12.102 17.556 15 HB3 GLU 436 HB3 GLU 436 -8.710 11.488 18.120 16 HG2 GLU 436 HG2 GLU 436 -10.322 11.100 19.824 17 HG3 GLU 436 HG3 GLU 436 -9.244 12.379 20.384 18 H PHE 437 H PHE 437 -6.585 12.666 17.151 19 HA PHE 437 HA PHE 437 -7.147 13.259 14.312 20 HB2 PHE 437 HB2 PHE 437 -4.457 13.428 15.695 21 HB3 PHE 437 HB3 PHE 437 -4.747 13.695 13.978 22 HD1 PHE 437 HD1 PHE 437 -6.111 15.655 13.253 23 HD2 PHE 437 HD2 PHE 437 -4.845 15.145 17.289 24 HE1 PHE 437 HE1 PHE 437 -6.568 18.030 13.696 25 HE2 PHE 437 HE2 PHE 437 -5.304 17.523 17.733 26 HZ PHE 437 HZ PHE 437 -6.164 18.967 15.935 27 HA PRO 438 HA PRO 438 -6.474 8.851 13.909 28 HB2 PRO 438 HB2 PRO 438 -6.705 8.704 11.213 29 HB3 PRO 438 HB3 PRO 438 -8.098 8.917 12.282 30 HG2 PRO 438 HG2 PRO 438 -6.604 10.966 10.690 31 HG3 PRO 438 HG3 PRO 438 -8.351 10.778 10.911 32 HD2 PRO 438 HD2 PRO 438 -6.870 12.594 12.294 33 HD3 PRO 438 HD3 PRO 438 -8.336 11.841 12.952 34 H ASP 439 H ASP 439 -5.085 7.414 12.459 35 HA ASP 439 HA ASP 439 -2.650 8.651 11.476 36 HB2 ASP 439 HB2 ASP 439 -2.383 8.298 13.981 37 HB3 ASP 439 HB3 ASP 439 -2.484 6.569 13.672 38 H LEU 440 H LEU 440 -3.494 7.796 9.517 39 HA LEU 440 HA LEU 440 -3.949 4.942 9.230 40 HB2 LEU 440 HB2 LEU 440 -3.922 7.074 7.086 41 HB3 LEU 440 HB3 LEU 440 -4.604 5.465 6.958 42 HG LEU 440 HG LEU 440 -5.651 7.630 8.798 43 HD11 LEU 440 HD11 LEU 440 -5.980 8.239 6.460 44 HD12 LEU 440 HD12 LEU 440 -7.514 7.812 7.217 45 HD13 LEU 440 HD13 LEU 440 -6.713 6.668 6.139 46 HD21 LEU 440 HD21 LEU 440 -6.104 5.363 9.610 47 HD22 LEU 440 HD22 LEU 440 -6.810 4.941 8.051 48 HD23 LEU 440 HD23 LEU 440 -7.582 6.156 9.067 49 H THR 441 H THR 441 -2.129 3.716 9.203 50 HA THR 441 HA THR 441 0.063 4.538 7.393 51 HB THR 441 HB THR 441 0.860 4.355 9.672 52 HG1 THR 441 HG1 THR 441 2.490 3.677 8.465 53 HG21 THR 441 HG21 THR 441 -0.828 2.815 10.559 54 HG22 THR 441 HG22 THR 441 0.806 2.264 10.925 55 HG23 THR 441 HG23 THR 441 -0.115 1.497 9.630 56 H VAL 442 H VAL 442 0.997 3.006 6.017 57 HA VAL 442 HA VAL 442 -0.645 0.597 5.540 58 HB VAL 442 HB VAL 442 -0.157 0.858 3.119 59 HG11 VAL 442 HG11 VAL 442 -1.719 2.672 2.692 60 HG12 VAL 442 HG12 VAL 442 -1.493 3.283 4.332 61 HG13 VAL 442 HG13 VAL 442 -2.258 1.718 4.072 62 HG21 VAL 442 HG21 VAL 442 0.989 3.540 3.921 63 HG22 VAL 442 HG22 VAL 442 0.733 2.974 2.269 64 HG23 VAL 442 HG23 VAL 442 1.906 2.168 3.307 65 H GLU 443 H GLU 443 0.426 -1.270 4.841 66 HA GLU 443 HA GLU 443 3.370 -1.273 4.993 67 HB2 GLU 443 HB2 GLU 443 1.548 -3.163 6.509 68 HB3 GLU 443 HB3 GLU 443 3.303 -3.243 6.475 69 HG2 GLU 443 HG2 GLU 443 3.426 -1.060 7.577 70 HG3 GLU 443 HG3 GLU 443 1.667 -0.979 7.613 71 H ILE 444 H ILE 444 4.363 -2.678 3.591 72 HA ILE 444 HA ILE 444 2.600 -4.356 1.913 73 HB ILE 444 HB ILE 444 5.313 -3.207 1.205 74 HG12 ILE 444 HG12 ILE 444 2.542 -2.398 0.260 75 HG13 ILE 444 HG13 ILE 444 3.557 -1.475 1.364 76 HG21 ILE 444 HG21 ILE 444 3.323 -4.744 -0.479 77 HG22 ILE 444 HG22 ILE 444 4.900 -5.318 0.065 78 HG23 ILE 444 HG23 ILE 444 4.797 -3.982 -1.081 79 HD11 ILE 444 HD11 ILE 444 3.638 -0.550 -0.870 80 HD12 ILE 444 HD12 ILE 444 4.182 -2.098 -1.515 81 HD13 ILE 444 HD13 ILE 444 5.216 -1.189 -0.412 82 H LYS 445 H LYS 445 2.915 -6.507 1.836 83 HA LYS 445 HA LYS 445 5.498 -7.635 2.686 84 HB2 LYS 445 HB2 LYS 445 4.004 -7.804 4.616 85 HB3 LYS 445 HB3 LYS 445 2.780 -8.589 3.626 86 HG2 LYS 445 HG2 LYS 445 3.948 -10.221 4.987 87 HG3 LYS 445 HG3 LYS 445 4.279 -10.500 3.279 88 HD2 LYS 445 HD2 LYS 445 6.436 -9.266 3.558 89 HD3 LYS 445 HD3 LYS 445 6.102 -9.164 5.286 90 HE2 LYS 445 HE2 LYS 445 6.502 -11.678 3.662 91 HE3 LYS 445 HE3 LYS 445 7.605 -11.008 4.863 92 HZ1 LYS 445 HZ1 LYS 445 5.809 -11.339 6.525 93 HZ2 LYS 445 HZ2 LYS 445 6.404 -12.775 5.862 94 HZ3 LYS 445 HZ3 LYS 445 4.917 -12.162 5.347 95 H GLY 446 H GLY 446 6.212 -9.312 1.452 96 HA2 GLY 446 HA2 GLY 446 4.812 -11.287 0.168 97 HA3 GLY 446 HA3 GLY 446 4.796 -9.950 -0.973 98 HA PRO 447 HA PRO 447 8.704 -12.481 -1.585 99 HB2 PRO 447 HB2 PRO 447 8.409 -12.901 -4.253 100 HB3 PRO 447 HB3 PRO 447 7.674 -13.950 -3.035 101 HG2 PRO 447 HG2 PRO 447 6.435 -11.706 -4.599 102 HG3 PRO 447 HG3 PRO 447 5.781 -13.320 -4.254 103 HD2 PRO 447 HD2 PRO 447 5.040 -11.120 -2.854 104 HD3 PRO 447 HD3 PRO 447 5.120 -12.731 -2.114 105 H ASP 448 H ASP 448 10.456 -11.208 -1.655 106 HA ASP 448 HA ASP 448 10.435 -8.686 -3.078 107 HB2 ASP 448 HB2 ASP 448 12.656 -8.342 -2.032 108 HB3 ASP 448 HB3 ASP 448 11.410 -8.752 -0.859 109 H VAL 449 H VAL 449 11.511 -11.877 -3.753 110 HA VAL 449 HA VAL 449 12.787 -10.887 -6.229 111 HB VAL 449 HB VAL 449 13.674 -13.323 -4.651 112 HG11 VAL 449 HG11 VAL 449 13.898 -13.687 -7.045 113 HG12 VAL 449 HG12 VAL 449 15.489 -13.465 -6.320 114 HG13 VAL 449 HG13 VAL 449 14.743 -12.150 -7.227 115 HG21 VAL 449 HG21 VAL 449 15.771 -12.084 -4.299 116 HG22 VAL 449 HG22 VAL 449 14.393 -11.252 -3.577 117 HG23 VAL 449 HG23 VAL 449 15.072 -10.676 -5.100 118 H VAL 450 H VAL 450 11.790 -11.604 -8.026 119 HA VAL 450 HA VAL 450 10.334 -14.168 -7.941 120 HB VAL 450 HB VAL 450 8.456 -13.184 -9.221 121 HG11 VAL 450 HG11 VAL 450 8.259 -13.450 -6.799 122 HG12 VAL 450 HG12 VAL 450 7.384 -12.021 -7.350 123 HG13 VAL 450 HG13 VAL 450 8.949 -11.844 -6.557 124 HG21 VAL 450 HG21 VAL 450 9.770 -10.529 -8.609 125 HG22 VAL 450 HG22 VAL 450 8.183 -10.753 -9.346 126 HG23 VAL 450 HG23 VAL 450 9.635 -11.272 -10.203 127 H GLY 451 H GLY 451 9.819 -15.061 -10.062 128 HA2 GLY 451 HA2 GLY 451 11.928 -14.534 -12.015 129 HA3 GLY 451 HA3 GLY 451 10.811 -15.890 -12.022 130 H VAL 452 H VAL 452 11.465 -14.333 -14.300 131 HA VAL 452 HA VAL 452 9.502 -12.345 -14.827 132 HB VAL 452 HB VAL 452 11.653 -12.426 -16.019 133 HG11 VAL 452 HG11 VAL 452 11.901 -14.831 -16.275 134 HG12 VAL 452 HG12 VAL 452 12.012 -14.031 -17.843 135 HG13 VAL 452 HG13 VAL 452 10.531 -14.875 -17.387 136 HG21 VAL 452 HG21 VAL 452 9.797 -11.194 -17.008 137 HG22 VAL 452 HG22 VAL 452 9.253 -12.649 -17.844 138 HG23 VAL 452 HG23 VAL 452 10.801 -11.915 -18.265 139 H ASN 453 H ASN 453 7.571 -12.425 -15.887 140 HA ASN 453 HA ASN 453 5.631 -13.198 -16.767 141 HB2 ASN 453 HB2 ASN 453 7.310 -15.589 -17.553 142 HB3 ASN 453 HB3 ASN 453 5.654 -15.313 -18.087 143 HD21 ASN 453 HD21 ASN 453 8.262 -15.439 -19.531 144 HD22 ASN 453 HD22 ASN 453 8.322 -13.983 -20.457 145 H LYS 454 H LYS 454 6.801 -14.172 -14.002 146 HA LYS 454 HA LYS 454 4.952 -16.386 -13.495 147 HB2 LYS 454 HB2 LYS 454 6.947 -15.053 -11.648 148 HB3 LYS 454 HB3 LYS 454 5.989 -16.474 -11.258 149 HG2 LYS 454 HG2 LYS 454 8.138 -16.264 -13.363 150 HG3 LYS 454 HG3 LYS 454 8.226 -17.141 -11.834 151 HD2 LYS 454 HD2 LYS 454 6.386 -17.762 -14.152 152 HD3 LYS 454 HD3 LYS 454 7.820 -18.675 -13.687 153 HE2 LYS 454 HE2 LYS 454 6.760 -19.228 -11.537 154 HE3 LYS 454 HE3 LYS 454 5.327 -18.316 -12.013 155 HZ1 LYS 454 HZ1 LYS 454 5.012 -20.667 -12.386 156 HZ2 LYS 454 HZ2 LYS 454 6.383 -20.736 -13.374 157 HZ3 LYS 454 HZ3 LYS 454 5.029 -19.850 -13.868 158 H LEU 455 H LEU 455 3.835 -16.212 -11.214 159 HA LEU 455 HA LEU 455 2.342 -13.667 -11.205 160 HB2 LEU 455 HB2 LEU 455 1.075 -15.740 -11.736 161 HB3 LEU 455 HB3 LEU 455 1.497 -16.370 -10.155 162 HG LEU 455 HG LEU 455 0.267 -14.464 -9.111 163 HD11 LEU 455 HD11 LEU 455 -1.270 -13.154 -10.512 164 HD12 LEU 455 HD12 LEU 455 -0.571 -13.891 -11.953 165 HD13 LEU 455 HD13 LEU 455 0.419 -12.859 -10.921 166 HD21 LEU 455 HD21 LEU 455 -1.360 -16.180 -10.995 167 HD22 LEU 455 HD22 LEU 455 -1.973 -15.334 -9.572 168 HD23 LEU 455 HD23 LEU 455 -0.807 -16.645 -9.385 169 H ALA 456 H ALA 456 2.755 -12.330 -9.546 170 HA ALA 456 HA ALA 456 3.676 -13.492 -6.985 171 HB1 ALA 456 HB1 ALA 456 5.356 -12.091 -8.099 172 HB2 ALA 456 HB2 ALA 456 4.836 -11.391 -6.565 173 HB3 ALA 456 HB3 ALA 456 4.231 -10.733 -8.085 174 H GLU 457 H GLU 457 2.475 -13.167 -5.205 175 HA GLU 457 HA GLU 457 0.328 -11.139 -5.292 176 HB2 GLU 457 HB2 GLU 457 0.384 -13.923 -4.197 177 HB3 GLU 457 HB3 GLU 457 -0.644 -12.733 -3.413 178 HG2 GLU 457 HG2 GLU 457 -1.885 -12.364 -5.412 179 HG3 GLU 457 HG3 GLU 457 -0.758 -13.335 -6.361 180 H TYR 458 H TYR 458 0.272 -9.615 -3.791 181 HA TYR 458 HA TYR 458 2.075 -9.830 -1.451 182 HB2 TYR 458 HB2 TYR 458 1.434 -7.344 -3.070 183 HB3 TYR 458 HB3 TYR 458 2.439 -7.390 -1.626 184 HD1 TYR 458 HD1 TYR 458 2.223 -8.603 -5.135 185 HD2 TYR 458 HD2 TYR 458 4.748 -7.881 -1.781 186 HE1 TYR 458 HE1 TYR 458 4.196 -9.033 -6.534 187 HE2 TYR 458 HE2 TYR 458 6.727 -8.307 -3.175 188 HH TYR 458 HH TYR 458 7.356 -9.399 -5.196 189 H GLU 459 H GLU 459 1.436 -8.470 0.404 190 HA GLU 459 HA GLU 459 -1.482 -8.016 0.545 191 HB2 GLU 459 HB2 GLU 459 0.378 -8.863 2.781 192 HB3 GLU 459 HB3 GLU 459 -1.327 -8.482 2.971 193 HG2 GLU 459 HG2 GLU 459 -1.821 -10.375 1.397 194 HG3 GLU 459 HG3 GLU 459 -0.112 -10.807 1.494 195 H VAL 460 H VAL 460 -2.056 -5.968 0.894 196 HA VAL 460 HA VAL 460 -0.152 -4.096 2.114 197 HB VAL 460 HB VAL 460 -2.839 -3.469 0.859 198 HG11 VAL 460 HG11 VAL 460 -0.519 -1.666 1.578 199 HG12 VAL 460 HG12 VAL 460 -2.052 -1.778 2.444 200 HG13 VAL 460 HG13 VAL 460 -2.016 -1.163 0.791 201 HG21 VAL 460 HG21 VAL 460 -1.565 -2.702 -1.108 202 HG22 VAL 460 HG22 VAL 460 -1.377 -4.433 -0.829 203 HG23 VAL 460 HG23 VAL 460 -0.083 -3.322 -0.379 204 H HIS 461 H HIS 461 -0.274 -3.979 4.260 205 HA HIS 461 HA HIS 461 -2.807 -4.434 5.653 206 HB2 HIS 461 HB2 HIS 461 0.046 -4.154 6.638 207 HB3 HIS 461 HB3 HIS 461 -1.337 -4.312 7.714 208 HD1 HIS 461 HD1 HIS 461 -2.021 -6.632 8.293 209 HD2 HIS 461 HD2 HIS 461 0.385 -6.528 4.903 210 HE1 HIS 461 HE1 HIS 461 -1.586 -9.029 7.706 211 HE2 HIS 461 HE2 HIS 461 0.007 -8.940 5.764 212 H VAL 462 H VAL 462 -4.066 -2.657 5.703 213 HA VAL 462 HA VAL 462 -2.811 -0.043 6.241 214 HB VAL 462 HB VAL 462 -4.712 1.027 5.244 215 HG11 VAL 462 HG11 VAL 462 -3.020 0.147 3.698 216 HG12 VAL 462 HG12 VAL 462 -4.619 0.179 2.961 217 HG13 VAL 462 HG13 VAL 462 -3.946 -1.345 3.536 218 HG21 VAL 462 HG21 VAL 462 -6.497 -0.420 6.097 219 HG22 VAL 462 HG22 VAL 462 -6.000 -1.700 4.988 220 HG23 VAL 462 HG23 VAL 462 -6.648 -0.186 4.356 221 H LYS 463 H LYS 463 -3.106 0.869 8.177 222 HA LYS 463 HA LYS 463 -5.328 -0.022 9.880 223 HB2 LYS 463 HB2 LYS 463 -3.637 -0.219 11.789 224 HB3 LYS 463 HB3 LYS 463 -3.663 -1.515 10.598 225 HG2 LYS 463 HG2 LYS 463 -1.634 -0.915 9.686 226 HG3 LYS 463 HG3 LYS 463 -1.767 0.760 10.218 227 HD2 LYS 463 HD2 LYS 463 -0.061 -0.344 11.522 228 HD3 LYS 463 HD3 LYS 463 -1.450 -0.005 12.556 229 HE2 LYS 463 HE2 LYS 463 -0.591 -2.239 12.991 230 HE3 LYS 463 HE3 LYS 463 -2.207 -2.323 12.294 231 HZ1 LYS 463 HZ1 LYS 463 -0.887 -3.947 11.225 232 HZ2 LYS 463 HZ2 LYS 463 0.375 -2.857 10.928 233 HZ3 LYS 463 HZ3 LYS 463 -1.092 -2.700 10.109 234 H ASN 464 H ASN 464 -5.994 1.399 11.449 235 HA ASN 464 HA ASN 464 -4.847 4.121 11.352 236 HB2 ASN 464 HB2 ASN 464 -7.283 3.798 10.819 237 HB3 ASN 464 HB3 ASN 464 -7.523 3.196 12.454 238 HD21 ASN 464 HD21 ASN 464 -8.737 5.459 11.167 239 HD22 ASN 464 HD22 ASN 464 -8.352 6.841 12.125 240 H LEU 465 H LEU 465 -3.704 4.831 13.110 241 HA LEU 465 HA LEU 465 -3.806 3.196 15.561 242 HB2 LEU 465 HB2 LEU 465 -1.721 5.176 14.628 243 HB3 LEU 465 HB3 LEU 465 -1.626 4.223 16.099 244 HG LEU 465 HG LEU 465 -1.635 3.118 13.278 245 HD11 LEU 465 HD11 LEU 465 0.458 4.225 13.790 246 HD12 LEU 465 HD12 LEU 465 0.687 2.477 13.764 247 HD13 LEU 465 HD13 LEU 465 0.592 3.331 15.306 248 HD21 LEU 465 HD21 LEU 465 -1.146 0.963 14.328 249 HD22 LEU 465 HD22 LEU 465 -2.718 1.585 14.830 250 HD23 LEU 465 HD23 LEU 465 -1.336 1.691 15.924 251 H GLY 466 H GLY 466 -4.655 6.303 14.369 252 HA2 GLY 466 HA2 GLY 466 -4.329 7.907 16.654 253 HA3 GLY 466 HA3 GLY 466 -5.467 8.216 15.356 254 H GLY 467 H GLY 467 -6.817 5.570 15.932 255 HA2 GLY 467 HA2 GLY 467 -8.315 4.651 17.484 256 HA3 GLY 467 HA3 GLY 467 -7.940 5.956 18.594 257 H ILE 468 H ILE 468 -8.727 6.895 15.413 258 HA ILE 468 HA ILE 468 -11.573 7.280 16.037 259 HB ILE 468 HB ILE 468 -10.668 9.403 16.605 260 HG12 ILE 468 HG12 ILE 468 -11.690 9.634 13.758 261 HG13 ILE 468 HG13 ILE 468 -12.710 9.471 15.184 262 HG21 ILE 468 HG21 ILE 468 -9.172 9.380 13.986 263 HG22 ILE 468 HG22 ILE 468 -8.468 9.148 15.585 264 HG23 ILE 468 HG23 ILE 468 -9.187 10.700 15.156 265 HD11 ILE 468 HD11 ILE 468 -12.617 11.772 14.435 266 HD12 ILE 468 HD12 ILE 468 -10.859 11.767 14.581 267 HD13 ILE 468 HD13 ILE 468 -11.865 11.610 16.022 268 H GLY 469 H GLY 469 -12.929 6.953 14.335 269 HA2 GLY 469 HA2 GLY 469 -11.898 5.489 12.127 270 HA3 GLY 469 HA3 GLY 469 -13.571 5.931 12.384 271 H VAL 470 H VAL 470 -11.824 5.894 9.970 272 HA VAL 470 HA VAL 470 -12.431 8.617 9.013 273 HB VAL 470 HB VAL 470 -9.974 7.005 8.260 274 HG11 VAL 470 HG11 VAL 470 -10.833 9.782 7.431 275 HG12 VAL 470 HG12 VAL 470 -10.779 8.354 6.399 276 HG13 VAL 470 HG13 VAL 470 -9.284 9.033 7.042 277 HG21 VAL 470 HG21 VAL 470 -10.203 9.515 9.930 278 HG22 VAL 470 HG22 VAL 470 -8.695 8.755 9.419 279 HG23 VAL 470 HG23 VAL 470 -9.783 7.909 10.521 280 HA PRO 471 HA PRO 471 -14.398 6.064 5.766 281 HB2 PRO 471 HB2 PRO 471 -16.011 7.973 4.795 282 HB3 PRO 471 HB3 PRO 471 -16.351 7.192 6.346 283 HG2 PRO 471 HG2 PRO 471 -15.073 9.854 5.808 284 HG3 PRO 471 HG3 PRO 471 -16.319 9.436 6.999 285 HD2 PRO 471 HD2 PRO 471 -13.649 9.662 7.602 286 HD3 PRO 471 HD3 PRO 471 -14.778 8.633 8.506 287 H SER 472 H SER 472 -12.387 8.781 5.622 288 HA SER 472 HA SER 472 -12.475 9.287 2.787 289 HB2 SER 472 HB2 SER 472 -10.524 10.331 4.854 290 HB3 SER 472 HB3 SER 472 -10.809 10.995 3.247 291 HG SER 472 HG SER 472 -11.914 11.935 5.233 292 H THR 473 H THR 473 -11.379 6.600 3.965 293 HA THR 473 HA THR 473 -8.514 6.824 3.476 294 HB THR 473 HB THR 473 -10.140 4.469 4.481 295 HG1 THR 473 HG1 THR 473 -8.679 6.514 5.819 296 HG21 THR 473 HG21 THR 473 -7.998 3.778 3.480 297 HG22 THR 473 HG22 THR 473 -8.005 3.544 5.227 298 HG23 THR 473 HG23 THR 473 -7.148 4.916 4.525 299 H LYS 474 H LYS 474 -8.354 6.977 1.248 300 HA LYS 474 HA LYS 474 -9.077 4.620 -0.356 301 HB2 LYS 474 HB2 LYS 474 -7.827 7.240 -1.241 302 HB3 LYS 474 HB3 LYS 474 -8.402 5.958 -2.295 303 HG2 LYS 474 HG2 LYS 474 -10.683 6.345 -1.612 304 HG3 LYS 474 HG3 LYS 474 -10.158 7.534 -0.417 305 HD2 LYS 474 HD2 LYS 474 -9.308 8.974 -2.204 306 HD3 LYS 474 HD3 LYS 474 -9.785 7.777 -3.411 307 HE2 LYS 474 HE2 LYS 474 -12.123 8.073 -2.819 308 HE3 LYS 474 HE3 LYS 474 -11.681 9.193 -1.530 309 HZ1 LYS 474 HZ1 LYS 474 -12.442 10.309 -3.567 310 HZ2 LYS 474 HZ2 LYS 474 -11.138 9.650 -4.415 311 HZ3 LYS 474 HZ3 LYS 474 -10.864 10.738 -3.151 312 H VAL 475 H VAL 475 -7.596 3.087 -0.818 313 HA VAL 475 HA VAL 475 -4.744 3.626 -0.221 314 HB VAL 475 HB VAL 475 -6.174 0.953 -0.218 315 HG11 VAL 475 HG11 VAL 475 -3.378 1.704 0.658 316 HG12 VAL 475 HG12 VAL 475 -3.812 0.737 -0.753 317 HG13 VAL 475 HG13 VAL 475 -4.126 0.120 0.868 318 HG21 VAL 475 HG21 VAL 475 -5.320 2.677 2.117 319 HG22 VAL 475 HG22 VAL 475 -5.974 1.042 2.232 320 HG23 VAL 475 HG23 VAL 475 -6.978 2.352 1.611 321 H ARG 476 H ARG 476 -3.451 3.729 -1.971 322 HA ARG 476 HA ARG 476 -4.206 2.163 -4.360 323 HB2 ARG 476 HB2 ARG 476 -3.060 4.967 -4.355 324 HB3 ARG 476 HB3 ARG 476 -3.425 4.007 -5.784 325 HG2 ARG 476 HG2 ARG 476 -5.822 3.941 -4.997 326 HG3 ARG 476 HG3 ARG 476 -5.372 5.132 -3.778 327 HD2 ARG 476 HD2 ARG 476 -5.058 5.504 -6.759 328 HD3 ARG 476 HD3 ARG 476 -6.403 6.123 -5.804 329 HE ARG 476 HE ARG 476 -3.737 6.950 -4.988 330 HH11 ARG 476 HH11 ARG 476 -6.626 7.714 -6.698 331 HH12 ARG 476 HH12 ARG 476 -6.280 9.406 -6.758 332 HH21 ARG 476 HH21 ARG 476 -3.303 9.130 -5.076 333 HH22 ARG 476 HH22 ARG 476 -4.419 10.201 -5.848 334 H VAL 477 H VAL 477 -2.485 1.504 -5.753 335 HA VAL 477 HA VAL 477 0.127 1.287 -4.379 336 HB VAL 477 HB VAL 477 -1.275 -0.822 -6.048 337 HG11 VAL 477 HG11 VAL 477 1.453 -0.870 -4.745 338 HG12 VAL 477 HG12 VAL 477 1.100 -0.933 -6.473 339 HG13 VAL 477 HG13 VAL 477 0.640 -2.277 -5.429 340 HG21 VAL 477 HG21 VAL 477 -1.302 -2.131 -3.970 341 HG22 VAL 477 HG22 VAL 477 -2.210 -0.628 -3.807 342 HG23 VAL 477 HG23 VAL 477 -0.599 -0.766 -3.101 343 H TYR 478 H TYR 478 1.876 1.850 -5.506 344 HA TYR 478 HA TYR 478 1.623 2.289 -8.419 345 HB2 TYR 478 HB2 TYR 478 3.157 3.986 -6.426 346 HB3 TYR 478 HB3 TYR 478 3.111 4.242 -8.168 347 HD1 TYR 478 HD1 TYR 478 1.107 4.369 -5.061 348 HD2 TYR 478 HD2 TYR 478 1.256 5.330 -9.207 349 HE1 TYR 478 HE1 TYR 478 -0.905 5.757 -4.810 350 HE2 TYR 478 HE2 TYR 478 -0.751 6.724 -8.961 351 HH TYR 478 HH TYR 478 -1.948 7.692 -5.978 352 H ILE 479 H ILE 479 3.202 1.462 -9.688 353 HA ILE 479 HA ILE 479 5.610 0.336 -8.396 354 HB ILE 479 HB ILE 479 4.408 -0.347 -11.097 355 HG12 ILE 479 HG12 ILE 479 4.439 -1.937 -8.509 356 HG13 ILE 479 HG13 ILE 479 3.034 -1.118 -9.179 357 HG21 ILE 479 HG21 ILE 479 6.837 -0.624 -11.070 358 HG22 ILE 479 HG22 ILE 479 6.032 -2.193 -11.126 359 HG23 ILE 479 HG23 ILE 479 6.722 -1.609 -9.611 360 HD11 ILE 479 HD11 ILE 479 2.960 -3.500 -9.617 361 HD12 ILE 479 HD12 ILE 479 4.511 -3.412 -10.452 362 HD13 ILE 479 HD13 ILE 479 3.100 -2.593 -11.122 363 H ASN 480 H ASN 480 7.341 1.609 -8.580 364 HA ASN 480 HA ASN 480 8.761 3.264 -9.245 365 HB2 ASN 480 HB2 ASN 480 8.060 2.246 -12.016 366 HB3 ASN 480 HB3 ASN 480 9.464 3.224 -11.604 367 HD21 ASN 480 HD21 ASN 480 10.975 1.731 -12.234 368 HD22 ASN 480 HD22 ASN 480 11.215 0.232 -11.413 369 H GLY 481 H GLY 481 6.009 4.065 -8.859 370 HA2 GLY 481 HA2 GLY 481 5.260 6.328 -8.890 371 HA3 GLY 481 HA3 GLY 481 6.096 6.564 -10.412 372 H THR 482 H THR 482 4.837 3.929 -11.375 373 HA THR 482 HA THR 482 2.503 5.208 -12.535 374 HB THR 482 HB THR 482 3.610 2.422 -12.986 375 HG1 THR 482 HG1 THR 482 5.077 3.687 -13.926 376 HG21 THR 482 HG21 THR 482 2.221 2.414 -15.015 377 HG22 THR 482 HG22 THR 482 1.543 3.978 -14.560 378 HG23 THR 482 HG23 THR 482 1.228 2.556 -13.565 379 H LEU 483 H LEU 483 0.402 4.851 -12.024 380 HA LEU 483 HA LEU 483 -0.328 3.421 -9.683 381 HB2 LEU 483 HB2 LEU 483 -1.578 5.367 -10.456 382 HB3 LEU 483 HB3 LEU 483 -2.035 4.522 -11.922 383 HG LEU 483 HG LEU 483 -3.361 2.922 -10.584 384 HD11 LEU 483 HD11 LEU 483 -2.640 4.685 -8.241 385 HD12 LEU 483 HD12 LEU 483 -2.097 3.026 -8.497 386 HD13 LEU 483 HD13 LEU 483 -3.807 3.362 -8.220 387 HD21 LEU 483 HD21 LEU 483 -4.047 5.825 -10.091 388 HD22 LEU 483 HD22 LEU 483 -5.169 4.468 -9.980 389 HD23 LEU 483 HD23 LEU 483 -4.449 4.891 -11.532 390 H TYR 484 H TYR 484 -0.447 1.277 -9.486 391 HA TYR 484 HA TYR 484 -1.069 -0.388 -11.818 392 HB2 TYR 484 HB2 TYR 484 0.832 -1.193 -10.659 393 HB3 TYR 484 HB3 TYR 484 0.067 -0.990 -9.086 394 HD1 TYR 484 HD1 TYR 484 -0.162 -3.000 -12.233 395 HD2 TYR 484 HD2 TYR 484 -1.027 -2.795 -8.068 396 HE1 TYR 484 HE1 TYR 484 -0.926 -5.340 -12.274 397 HE2 TYR 484 HE2 TYR 484 -1.785 -5.127 -8.104 398 HH TYR 484 HH TYR 484 -1.248 -7.215 -10.726 399 H LYS 485 H LYS 485 -2.306 0.275 -8.556 400 HA LYS 485 HA LYS 485 -4.917 -0.828 -9.263 401 HB2 LYS 485 HB2 LYS 485 -3.555 -2.751 -8.396 402 HB3 LYS 485 HB3 LYS 485 -3.355 -1.879 -6.884 403 HG2 LYS 485 HG2 LYS 485 -5.108 -3.192 -6.289 404 HG3 LYS 485 HG3 LYS 485 -6.014 -1.849 -6.978 405 HD2 LYS 485 HD2 LYS 485 -6.954 -3.879 -7.828 406 HD3 LYS 485 HD3 LYS 485 -6.072 -3.112 -9.151 407 HE2 LYS 485 HE2 LYS 485 -4.210 -4.621 -8.845 408 HE3 LYS 485 HE3 LYS 485 -4.958 -5.310 -7.404 409 HZ1 LYS 485 HZ1 LYS 485 -6.790 -6.085 -8.834 410 HZ2 LYS 485 HZ2 LYS 485 -5.299 -6.771 -9.245 411 HZ3 LYS 485 HZ3 LYS 485 -5.948 -5.532 -10.192 412 H ASN 486 H ASN 486 -6.603 -0.193 -7.758 413 HA ASN 486 HA ASN 486 -5.839 1.607 -5.576 414 HB2 ASN 486 HB2 ASN 486 -7.434 3.342 -6.287 415 HB3 ASN 486 HB3 ASN 486 -6.178 3.098 -7.494 416 HD21 ASN 486 HD21 ASN 486 -6.721 2.065 -9.452 417 HD22 ASN 486 HD22 ASN 486 -8.360 1.930 -9.975 418 H TRP 487 H TRP 487 -7.230 1.623 -3.863 419 HA TRP 487 HA TRP 487 -9.787 0.166 -4.078 420 HB2 TRP 487 HB2 TRP 487 -7.754 -0.125 -1.847 421 HB3 TRP 487 HB3 TRP 487 -9.369 -0.820 -1.831 422 HD1 TRP 487 HD1 TRP 487 -9.803 -2.676 -3.938 423 HE1 TRP 487 HE1 TRP 487 -8.176 -4.502 -4.740 424 HE3 TRP 487 HE3 TRP 487 -5.442 -0.735 -2.115 425 HZ2 TRP 487 HZ2 TRP 487 -5.411 -5.052 -4.611 426 HZ3 TRP 487 HZ3 TRP 487 -3.350 -1.976 -2.492 427 HH2 TRP 487 HH2 TRP 487 -3.336 -4.091 -3.714 428 H THR 488 H THR 488 -11.452 0.915 -2.732 429 HA THR 488 HA THR 488 -10.849 3.294 -1.077 430 HB THR 488 HB THR 488 -13.455 2.697 -2.516 431 HG1 THR 488 HG1 THR 488 -11.845 3.403 -3.970 432 HG21 THR 488 HG21 THR 488 -12.603 5.126 -0.925 433 HG22 THR 488 HG22 THR 488 -13.791 3.925 -0.413 434 HG23 THR 488 HG23 THR 488 -14.118 4.950 -1.811 435 H VAL 489 H VAL 489 -11.113 2.933 1.049 436 HA VAL 489 HA VAL 489 -13.179 1.074 1.993 437 HB VAL 489 HB VAL 489 -11.623 -0.071 3.523 438 HG11 VAL 489 HG11 VAL 489 -10.769 -0.288 0.631 439 HG12 VAL 489 HG12 VAL 489 -12.130 -1.126 1.376 440 HG13 VAL 489 HG13 VAL 489 -10.484 -1.494 1.889 441 HG21 VAL 489 HG21 VAL 489 -9.915 1.641 3.752 442 HG22 VAL 489 HG22 VAL 489 -9.455 1.445 2.059 443 HG23 VAL 489 HG23 VAL 489 -9.186 0.132 3.205 444 H SER 490 H SER 490 -13.184 1.084 4.507 445 HA SER 490 HA SER 490 -12.509 3.783 5.520 446 HB2 SER 490 HB2 SER 490 -14.458 3.682 6.989 447 HB3 SER 490 HB3 SER 490 -14.971 3.445 5.318 448 HG SER 490 HG SER 490 -14.822 1.585 7.430 449 H LEU 491 H LEU 491 -11.408 3.887 7.453 450 HA LEU 491 HA LEU 491 -10.906 1.320 8.846 451 HB2 LEU 491 HB2 LEU 491 -9.092 3.708 8.481 452 HB3 LEU 491 HB3 LEU 491 -8.776 2.445 9.656 453 HG LEU 491 HG LEU 491 -8.923 2.064 6.658 454 HD11 LEU 491 HD11 LEU 491 -6.916 3.262 7.353 455 HD12 LEU 491 HD12 LEU 491 -6.521 1.630 6.821 456 HD13 LEU 491 HD13 LEU 491 -6.564 2.009 8.545 457 HD21 LEU 491 HD21 LEU 491 -9.710 0.084 7.832 458 HD22 LEU 491 HD22 LEU 491 -8.276 0.097 8.860 459 HD23 LEU 491 HD23 LEU 491 -8.121 -0.211 7.131 460 H GLY 492 H GLY 492 -11.786 1.191 10.796 461 HA2 GLY 492 HA2 GLY 492 -12.766 3.560 12.162 462 HA3 GLY 492 HA3 GLY 492 -12.988 1.892 12.666 463 HA PRO 493 HA PRO 493 -9.919 4.014 15.529 464 HB2 PRO 493 HB2 PRO 493 -10.984 2.882 17.805 465 HB3 PRO 493 HB3 PRO 493 -11.459 4.457 17.162 466 HG2 PRO 493 HG2 PRO 493 -12.803 1.795 16.833 467 HG3 PRO 493 HG3 PRO 493 -13.528 3.384 17.148 468 HD2 PRO 493 HD2 PRO 493 -13.537 2.300 14.690 469 HD3 PRO 493 HD3 PRO 493 -13.337 4.049 14.927 470 H LYS 494 H LYS 494 -8.063 2.911 15.194 471 HA LYS 494 HA LYS 494 -6.408 1.381 15.464 472 HB2 LYS 494 HB2 LYS 494 -8.335 0.182 17.461 473 HB3 LYS 494 HB3 LYS 494 -6.681 -0.371 17.240 474 HG2 LYS 494 HG2 LYS 494 -7.397 2.462 17.996 475 HG3 LYS 494 HG3 LYS 494 -7.058 1.190 19.174 476 HD2 LYS 494 HD2 LYS 494 -4.827 0.882 17.966 477 HD3 LYS 494 HD3 LYS 494 -5.189 2.393 17.131 478 HE2 LYS 494 HE2 LYS 494 -4.992 2.042 20.127 479 HE3 LYS 494 HE3 LYS 494 -3.742 2.736 19.096 480 HZ1 LYS 494 HZ1 LYS 494 -5.063 4.432 20.207 481 HZ2 LYS 494 HZ2 LYS 494 -6.471 3.847 19.477 482 HZ3 LYS 494 HZ3 LYS 494 -5.243 4.526 18.531 483 H GLU 495 H GLU 495 -8.766 0.962 13.566 484 HA GLU 495 HA GLU 495 -8.947 -1.933 13.333 485 HB2 GLU 495 HB2 GLU 495 -10.931 -0.504 12.990 486 HB3 GLU 495 HB3 GLU 495 -10.144 0.247 11.606 487 HG2 GLU 495 HG2 GLU 495 -10.191 -1.824 10.382 488 HG3 GLU 495 HG3 GLU 495 -10.789 -2.694 11.794 489 H GLU 496 H GLU 496 -8.300 -3.158 11.528 490 HA GLU 496 HA GLU 496 -6.448 -1.875 9.625 491 HB2 GLU 496 HB2 GLU 496 -5.130 -2.963 11.407 492 HB3 GLU 496 HB3 GLU 496 -5.943 -4.487 11.072 493 HG2 GLU 496 HG2 GLU 496 -5.017 -4.361 8.738 494 HG3 GLU 496 HG3 GLU 496 -4.059 -2.978 9.266 495 H LYS 497 H LYS 497 -6.665 -2.523 7.549 496 HA LYS 497 HA LYS 497 -8.278 -4.938 6.963 497 HB2 LYS 497 HB2 LYS 497 -8.162 -2.371 5.344 498 HB3 LYS 497 HB3 LYS 497 -9.099 -3.803 4.934 499 HG2 LYS 497 HG2 LYS 497 -9.509 -2.182 7.444 500 HG3 LYS 497 HG3 LYS 497 -10.413 -1.932 5.951 501 HD2 LYS 497 HD2 LYS 497 -10.321 -4.640 7.258 502 HD3 LYS 497 HD3 LYS 497 -11.438 -3.405 7.835 503 HE2 LYS 497 HE2 LYS 497 -12.571 -4.840 6.258 504 HE3 LYS 497 HE3 LYS 497 -12.379 -3.238 5.553 505 HZ1 LYS 497 HZ1 LYS 497 -10.602 -5.542 4.984 506 HZ2 LYS 497 HZ2 LYS 497 -10.575 -4.035 4.223 507 HZ3 LYS 497 HZ3 LYS 497 -11.891 -5.066 4.003 508 H VAL 498 H VAL 498 -7.364 -6.407 5.596 509 HA VAL 498 HA VAL 498 -4.730 -5.763 4.454 510 HB VAL 498 HB VAL 498 -6.031 -8.481 4.783 511 HG11 VAL 498 HG11 VAL 498 -3.787 -9.366 4.326 512 HG12 VAL 498 HG12 VAL 498 -3.191 -7.728 4.060 513 HG13 VAL 498 HG13 VAL 498 -4.391 -8.417 2.968 514 HG21 VAL 498 HG21 VAL 498 -3.896 -7.156 6.469 515 HG22 VAL 498 HG22 VAL 498 -4.492 -8.806 6.659 516 HG23 VAL 498 HG23 VAL 498 -5.568 -7.441 6.954 517 H LEU 499 H LEU 499 -4.684 -5.179 2.390 518 HA LEU 499 HA LEU 499 -6.742 -6.177 0.526 519 HB2 LEU 499 HB2 LEU 499 -4.945 -3.750 0.308 520 HB3 LEU 499 HB3 LEU 499 -6.192 -4.205 -0.841 521 HG LEU 499 HG LEU 499 -6.724 -3.466 2.046 522 HD11 LEU 499 HD11 LEU 499 -7.061 -1.812 -0.455 523 HD12 LEU 499 HD12 LEU 499 -5.899 -1.527 0.842 524 HD13 LEU 499 HD13 LEU 499 -7.628 -1.367 1.155 525 HD21 LEU 499 HD21 LEU 499 -8.406 -4.957 1.137 526 HD22 LEU 499 HD22 LEU 499 -8.589 -3.925 -0.283 527 HD23 LEU 499 HD23 LEU 499 -9.067 -3.332 1.306 528 H THR 500 H THR 500 -6.141 -7.468 -1.161 529 HA THR 500 HA THR 500 -3.239 -7.944 -1.518 530 HB THR 500 HB THR 500 -3.895 -10.212 -2.385 531 HG1 THR 500 HG1 THR 500 -5.947 -10.851 -2.323 532 HG21 THR 500 HG21 THR 500 -4.683 -9.588 0.463 533 HG22 THR 500 HG22 THR 500 -3.054 -9.948 -0.113 534 HG23 THR 500 HG23 THR 500 -4.305 -11.190 -0.173 535 H PHE 501 H PHE 501 -2.384 -8.276 -3.551 536 HA PHE 501 HA PHE 501 -4.117 -8.077 -5.892 537 HB2 PHE 501 HB2 PHE 501 -2.727 -6.334 -6.940 538 HB3 PHE 501 HB3 PHE 501 -3.494 -5.749 -5.471 539 HD1 PHE 501 HD1 PHE 501 -2.139 -5.405 -3.421 540 HD2 PHE 501 HD2 PHE 501 -0.348 -6.447 -7.144 541 HE1 PHE 501 HE1 PHE 501 0.045 -4.661 -2.575 542 HE2 PHE 501 HE2 PHE 501 1.840 -5.704 -6.300 543 HZ PHE 501 HZ PHE 501 2.040 -4.811 -4.014 544 H SER 502 H SER 502 -3.248 -8.981 -7.768 545 HA SER 502 HA SER 502 -0.774 -10.556 -7.376 546 HB2 SER 502 HB2 SER 502 -1.688 -12.100 -9.084 547 HB3 SER 502 HB3 SER 502 -2.762 -11.949 -7.696 548 HG SER 502 HG SER 502 -3.927 -11.810 -9.638 549 H TRP 503 H TRP 503 0.920 -9.728 -8.410 550 HA TRP 503 HA TRP 503 0.513 -8.228 -10.918 551 HB2 TRP 503 HB2 TRP 503 1.472 -6.871 -9.154 552 HB3 TRP 503 HB3 TRP 503 2.716 -8.072 -8.844 553 HD1 TRP 503 HD1 TRP 503 1.636 -6.167 -12.072 554 HE1 TRP 503 HE1 TRP 503 3.762 -5.220 -13.166 555 HE3 TRP 503 HE3 TRP 503 5.097 -7.811 -8.687 556 HZ2 TRP 503 HZ2 TRP 503 6.537 -5.175 -12.667 557 HZ3 TRP 503 HZ3 TRP 503 7.469 -7.274 -9.068 558 HH2 TRP 503 HH2 TRP 503 8.173 -5.980 -11.019 559 H THR 504 H THR 504 1.470 -8.894 -12.764 560 HA THR 504 HA THR 504 3.245 -11.257 -12.625 561 HB THR 504 HB THR 504 1.498 -10.352 -14.936 562 HG1 THR 504 HG1 THR 504 1.046 -12.821 -13.794 563 HG21 THR 504 HG21 THR 504 3.513 -11.486 -15.723 564 HG22 THR 504 HG22 THR 504 2.102 -12.519 -15.950 565 HG23 THR 504 HG23 THR 504 3.214 -12.828 -14.617 566 HA PRO 505 HA PRO 505 6.136 -8.083 -14.180 567 HB2 PRO 505 HB2 PRO 505 8.399 -9.326 -13.374 568 HB3 PRO 505 HB3 PRO 505 7.380 -8.406 -12.262 569 HG2 PRO 505 HG2 PRO 505 7.503 -11.372 -12.700 570 HG3 PRO 505 HG3 PRO 505 7.418 -10.469 -11.174 571 HD2 PRO 505 HD2 PRO 505 5.246 -11.637 -12.331 572 HD3 PRO 505 HD3 PRO 505 5.138 -10.177 -11.327 573 H THR 506 H THR 506 5.535 -8.645 -16.371 574 HA THR 506 HA THR 506 6.650 -10.929 -17.687 575 HB THR 506 HB THR 506 5.921 -9.720 -19.806 576 HG1 THR 506 HG1 THR 506 5.939 -7.584 -19.070 577 HG21 THR 506 HG21 THR 506 3.520 -10.069 -19.354 578 HG22 THR 506 HG22 THR 506 3.866 -10.162 -17.627 579 HG23 THR 506 HG23 THR 506 4.503 -11.390 -18.722 580 H GLN 507 H GLN 507 7.943 -7.869 -16.884 581 HA GLN 507 HA GLN 507 10.276 -8.390 -18.623 582 HB2 GLN 507 HB2 GLN 507 9.258 -5.782 -17.473 583 HB3 GLN 507 HB3 GLN 507 10.860 -5.958 -18.172 584 HG2 GLN 507 HG2 GLN 507 9.506 -5.010 -19.846 585 HG3 GLN 507 HG3 GLN 507 9.744 -6.695 -20.302 586 HE21 GLN 507 HE21 GLN 507 7.910 -6.709 -21.591 587 HE22 GLN 507 HE22 GLN 507 6.310 -6.676 -20.938 588 H GLU 508 H GLU 508 12.342 -8.356 -17.700 589 HA GLU 508 HA GLU 508 12.384 -8.724 -14.791 590 HB2 GLU 508 HB2 GLU 508 14.735 -9.613 -15.248 591 HB3 GLU 508 HB3 GLU 508 13.387 -10.561 -15.852 592 HG2 GLU 508 HG2 GLU 508 14.975 -10.598 -17.565 593 HG3 GLU 508 HG3 GLU 508 13.768 -9.433 -18.093 594 H GLY 509 H GLY 509 13.918 -7.691 -13.423 595 HA2 GLY 509 HA2 GLY 509 15.887 -5.975 -13.726 596 HA3 GLY 509 HA3 GLY 509 14.582 -4.984 -14.357 597 H MET 510 H MET 510 15.372 -3.567 -12.564 598 HA MET 510 HA MET 510 14.612 -4.368 -9.859 599 HB2 MET 510 HB2 MET 510 16.725 -3.216 -10.140 600 HB3 MET 510 HB3 MET 510 15.935 -1.882 -10.961 601 HG2 MET 510 HG2 MET 510 16.305 -1.022 -8.858 602 HG3 MET 510 HG3 MET 510 14.641 -1.583 -8.738 603 HE1 MET 510 HE1 MET 510 14.833 -4.595 -6.344 604 HE2 MET 510 HE2 MET 510 14.566 -4.570 -8.085 605 HE3 MET 510 HE3 MET 510 13.812 -3.350 -7.063 606 H TYR 511 H TYR 511 12.449 -4.216 -9.437 607 HA TYR 511 HA TYR 511 11.058 -1.743 -10.276 608 HB2 TYR 511 HB2 TYR 511 9.942 -4.515 -9.795 609 HB3 TYR 511 HB3 TYR 511 8.940 -3.085 -10.035 610 HD1 TYR 511 HD1 TYR 511 8.941 -1.918 -12.221 611 HD2 TYR 511 HD2 TYR 511 11.046 -5.579 -11.658 612 HE1 TYR 511 HE1 TYR 511 9.096 -2.198 -14.657 613 HE2 TYR 511 HE2 TYR 511 11.208 -5.862 -14.097 614 HH TYR 511 HH TYR 511 10.551 -3.372 -16.281 615 H ARG 512 H ARG 512 9.715 -0.674 -8.797 616 HA ARG 512 HA ARG 512 10.095 -1.431 -5.966 617 HB2 ARG 512 HB2 ARG 512 11.472 0.559 -6.804 618 HB3 ARG 512 HB3 ARG 512 9.947 1.420 -6.955 619 HG2 ARG 512 HG2 ARG 512 9.564 0.928 -4.502 620 HG3 ARG 512 HG3 ARG 512 11.236 0.366 -4.444 621 HD2 ARG 512 HD2 ARG 512 11.336 2.611 -3.750 622 HD3 ARG 512 HD3 ARG 512 11.858 2.639 -5.433 623 HE ARG 512 HE ARG 512 9.077 3.255 -4.715 624 HH11 ARG 512 HH11 ARG 512 12.005 4.123 -6.321 625 HH12 ARG 512 HH12 ARG 512 11.366 5.632 -6.876 626 HH21 ARG 512 HH21 ARG 512 8.280 5.173 -5.449 627 HH22 ARG 512 HH22 ARG 512 9.286 6.216 -6.393 628 H ILE 513 H ILE 513 8.185 -1.906 -5.058 629 HA ILE 513 HA ILE 513 5.710 -0.745 -6.123 630 HB ILE 513 HB ILE 513 6.112 -2.996 -4.136 631 HG12 ILE 513 HG12 ILE 513 5.314 -3.055 -7.064 632 HG13 ILE 513 HG13 ILE 513 6.866 -3.569 -6.408 633 HG21 ILE 513 HG21 ILE 513 3.587 -1.990 -5.452 634 HG22 ILE 513 HG22 ILE 513 3.995 -1.869 -3.741 635 HG23 ILE 513 HG23 ILE 513 3.709 -3.449 -4.469 636 HD11 ILE 513 HD11 ILE 513 5.732 -5.350 -5.163 637 HD12 ILE 513 HD12 ILE 513 5.470 -5.476 -6.902 638 HD13 ILE 513 HD13 ILE 513 4.193 -4.844 -5.863 639 H ASN 514 H ASN 514 4.585 0.789 -5.054 640 HA ASN 514 HA ASN 514 5.182 1.284 -2.204 641 HB2 ASN 514 HB2 ASN 514 4.731 3.303 -4.411 642 HB3 ASN 514 HB3 ASN 514 4.668 3.717 -2.701 643 HD21 ASN 514 HD21 ASN 514 6.554 3.561 -1.470 644 HD22 ASN 514 HD22 ASN 514 8.112 3.625 -2.208 645 H ALA 515 H ALA 515 3.470 1.851 -0.873 646 HA ALA 515 HA ALA 515 0.768 1.877 -2.079 647 HB1 ALA 515 HB1 ALA 515 1.127 -0.164 -0.761 648 HB2 ALA 515 HB2 ALA 515 -0.107 0.870 -0.039 649 HB3 ALA 515 HB3 ALA 515 1.518 0.820 0.651 650 H THR 516 H THR 516 -0.508 3.580 -1.599 651 HA THR 516 HA THR 516 0.389 5.485 0.481 652 HB THR 516 HB THR 516 -0.398 7.334 -0.986 653 HG1 THR 516 HG1 THR 516 -1.067 6.917 -3.049 654 HG21 THR 516 HG21 THR 516 1.483 7.300 -2.560 655 HG22 THR 516 HG22 THR 516 1.709 5.575 -2.266 656 HG23 THR 516 HG23 THR 516 1.988 6.736 -0.967 657 H VAL 517 H VAL 517 -1.187 6.408 1.756 658 HA VAL 517 HA VAL 517 -4.002 5.872 1.025 659 HB VAL 517 HB VAL 517 -3.419 4.470 2.923 660 HG11 VAL 517 HG11 VAL 517 -2.701 5.401 5.066 661 HG12 VAL 517 HG12 VAL 517 -2.647 7.014 4.356 662 HG13 VAL 517 HG13 VAL 517 -1.534 5.768 3.793 663 HG21 VAL 517 HG21 VAL 517 -5.679 5.412 2.844 664 HG22 VAL 517 HG22 VAL 517 -5.138 6.804 3.783 665 HG23 VAL 517 HG23 VAL 517 -5.136 5.195 4.507 666 H ASP 518 H ASP 518 -5.452 7.504 1.236 667 HA ASP 518 HA ASP 518 -6.067 9.672 0.867 668 HB2 ASP 518 HB2 ASP 518 -6.479 9.208 3.310 669 HB3 ASP 518 HB3 ASP 518 -4.982 10.068 3.658 670 H GLU 519 H GLU 519 -4.170 9.799 -0.710 671 HA GLU 519 HA GLU 519 -1.864 11.302 -0.135 672 HB2 GLU 519 HB2 GLU 519 -3.380 10.879 -2.713 673 HB3 GLU 519 HB3 GLU 519 -1.865 11.768 -2.633 674 HG2 GLU 519 HG2 GLU 519 -0.711 9.808 -1.819 675 HG3 GLU 519 HG3 GLU 519 -2.224 8.905 -1.763 676 H GLU 520 H GLU 520 -5.137 12.296 -0.890 677 HA GLU 520 HA GLU 520 -4.559 15.042 -1.406 678 HB2 GLU 520 HB2 GLU 520 -7.203 13.987 -0.387 679 HB3 GLU 520 HB3 GLU 520 -6.913 15.398 -1.394 680 HG2 GLU 520 HG2 GLU 520 -6.688 12.503 -2.194 681 HG3 GLU 520 HG3 GLU 520 -7.887 13.675 -2.735 682 H ASN 521 H ASN 521 -4.781 13.170 1.460 683 HA ASN 521 HA ASN 521 -4.693 13.622 3.676 684 HB2 ASN 521 HB2 ASN 521 -3.657 16.310 2.734 685 HB3 ASN 521 HB3 ASN 521 -3.595 15.735 4.396 686 HD21 ASN 521 HD21 ASN 521 -2.997 12.961 3.510 687 HD22 ASN 521 HD22 ASN 521 -1.338 13.000 3.045 688 H THR 522 H THR 522 -7.160 13.686 2.799 689 HA THR 522 HA THR 522 -8.620 16.095 3.214 690 HB THR 522 HB THR 522 -10.628 14.705 3.248 691 HG1 THR 522 HG1 THR 522 -8.775 12.536 3.458 692 HG21 THR 522 HG21 THR 522 -10.379 13.575 1.092 693 HG22 THR 522 HG22 THR 522 -8.623 13.678 1.227 694 HG23 THR 522 HG23 THR 522 -9.583 15.149 1.066 695 H VAL 523 H VAL 523 -7.511 13.564 5.340 696 HA VAL 523 HA VAL 523 -8.793 14.917 7.635 697 HB VAL 523 HB VAL 523 -9.507 12.556 7.236 698 HG11 VAL 523 HG11 VAL 523 -7.419 11.634 6.386 699 HG12 VAL 523 HG12 VAL 523 -7.972 10.723 7.790 700 HG13 VAL 523 HG13 VAL 523 -6.650 11.879 7.955 701 HG21 VAL 523 HG21 VAL 523 -9.265 11.845 9.580 702 HG22 VAL 523 HG22 VAL 523 -9.705 13.546 9.438 703 HG23 VAL 523 HG23 VAL 523 -8.043 13.093 9.822 704 H VAL 524 H VAL 524 -7.539 15.427 9.447 705 HA VAL 524 HA VAL 524 -4.710 15.767 8.910 706 HB VAL 524 HB VAL 524 -6.285 16.546 11.378 707 HG11 VAL 524 HG11 VAL 524 -3.873 16.381 11.791 708 HG12 VAL 524 HG12 VAL 524 -4.416 18.059 11.847 709 HG13 VAL 524 HG13 VAL 524 -3.560 17.457 10.426 710 HG21 VAL 524 HG21 VAL 524 -5.546 18.184 8.943 711 HG22 VAL 524 HG22 VAL 524 -6.304 18.812 10.408 712 HG23 VAL 524 HG23 VAL 524 -7.167 17.655 9.395 713 H GLU 525 H GLU 525 -3.212 14.354 9.451 714 HA GLU 525 HA GLU 525 -3.872 12.074 11.150 715 HB2 GLU 525 HB2 GLU 525 -1.483 12.625 9.371 716 HB3 GLU 525 HB3 GLU 525 -1.813 11.101 10.183 717 HG2 GLU 525 HG2 GLU 525 -3.851 12.251 8.325 718 HG3 GLU 525 HG3 GLU 525 -2.437 11.430 7.669 719 H LEU 526 H LEU 526 -2.330 11.228 12.716 720 HA LEU 526 HA LEU 526 -1.102 13.157 14.418 721 HB2 LEU 526 HB2 LEU 526 -0.876 10.148 14.299 722 HB3 LEU 526 HB3 LEU 526 -0.093 11.121 15.531 723 HG LEU 526 HG LEU 526 -3.082 10.964 15.080 724 HD11 LEU 526 HD11 LEU 526 -1.372 9.734 17.245 725 HD12 LEU 526 HD12 LEU 526 -2.186 8.863 15.947 726 HD13 LEU 526 HD13 LEU 526 -3.133 9.701 17.174 727 HD21 LEU 526 HD21 LEU 526 -1.477 12.313 17.257 728 HD22 LEU 526 HD22 LEU 526 -3.234 12.163 17.218 729 HD23 LEU 526 HD23 LEU 526 -2.404 13.118 15.991 730 H ASN 527 H ASN 527 0.124 10.932 11.963 731 HA ASN 527 HA ASN 527 2.633 12.487 11.897 732 HB2 ASN 527 HB2 ASN 527 3.136 10.352 12.945 733 HB3 ASN 527 HB3 ASN 527 2.346 9.482 11.634 734 HD21 ASN 527 HD21 ASN 527 4.217 8.328 11.188 735 HD22 ASN 527 HD22 ASN 527 5.582 9.047 10.410 736 H GLU 528 H GLU 528 2.825 13.494 10.015 737 HA GLU 528 HA GLU 528 1.234 12.715 7.722 738 HB2 GLU 528 HB2 GLU 528 2.185 14.786 6.711 739 HB3 GLU 528 HB3 GLU 528 1.394 15.052 8.260 740 HG2 GLU 528 HG2 GLU 528 3.705 14.894 9.304 741 HG3 GLU 528 HG3 GLU 528 4.338 15.003 7.663 742 H ASN 529 H ASN 529 4.106 11.587 8.816 743 HA ASN 529 HA ASN 529 5.157 11.019 6.109 744 HB2 ASN 529 HB2 ASN 529 6.482 10.555 8.799 745 HB3 ASN 529 HB3 ASN 529 7.231 10.348 7.218 746 HD21 ASN 529 HD21 ASN 529 6.121 12.630 9.585 747 HD22 ASN 529 HD22 ASN 529 6.900 14.013 8.906 748 H ASN 530 H ASN 530 2.815 9.814 7.617 749 HA ASN 530 HA ASN 530 3.731 7.085 8.210 750 HB2 ASN 530 HB2 ASN 530 2.422 8.549 9.844 751 HB3 ASN 530 HB3 ASN 530 1.032 8.318 8.792 752 HD21 ASN 530 HD21 ASN 530 -0.161 7.224 10.273 753 HD22 ASN 530 HD22 ASN 530 0.243 5.646 10.844 754 H ASN 531 H ASN 531 1.959 8.834 5.844 755 HA ASN 531 HA ASN 531 0.011 6.792 5.258 756 HB2 ASN 531 HB2 ASN 531 0.611 9.348 3.755 757 HB3 ASN 531 HB3 ASN 531 -0.865 8.389 3.660 758 HD21 ASN 531 HD21 ASN 531 -2.351 8.515 5.323 759 HD22 ASN 531 HD22 ASN 531 -2.272 9.703 6.569 760 H VAL 532 H VAL 532 3.105 6.522 4.547 761 HA VAL 532 HA VAL 532 2.646 5.556 1.793 762 HB VAL 532 HB VAL 532 5.107 7.083 2.690 763 HG11 VAL 532 HG11 VAL 532 4.382 5.933 -0.012 764 HG12 VAL 532 HG12 VAL 532 5.660 5.362 1.061 765 HG13 VAL 532 HG13 VAL 532 5.780 6.957 0.323 766 HG21 VAL 532 HG21 VAL 532 4.363 8.829 1.130 767 HG22 VAL 532 HG22 VAL 532 3.174 8.560 2.405 768 HG23 VAL 532 HG23 VAL 532 2.898 7.907 0.791 769 H ALA 533 H ALA 533 3.663 3.688 1.199 770 HA ALA 533 HA ALA 533 5.621 2.477 3.051 771 HB1 ALA 533 HB1 ALA 533 3.402 1.035 1.588 772 HB2 ALA 533 HB2 ALA 533 3.516 1.295 3.329 773 HB3 ALA 533 HB3 ALA 533 4.684 0.256 2.514 774 H THR 534 H THR 534 7.364 1.424 2.106 775 HA THR 534 HA THR 534 7.510 1.455 -0.853 776 HB THR 534 HB THR 534 9.725 2.280 1.047 777 HG1 THR 534 HG1 THR 534 9.392 4.313 0.248 778 HG21 THR 534 HG21 THR 534 9.745 2.075 -1.975 779 HG22 THR 534 HG22 THR 534 10.631 1.028 -0.863 780 HG23 THR 534 HG23 THR 534 11.041 2.739 -0.982 781 H PHE 535 H PHE 535 7.930 -0.489 -1.686 782 HA PHE 535 HA PHE 535 9.767 -2.319 -0.308 783 HB2 PHE 535 HB2 PHE 535 7.443 -2.926 0.363 784 HB3 PHE 535 HB3 PHE 535 7.038 -3.170 -1.330 785 HD1 PHE 535 HD1 PHE 535 9.157 -4.410 1.444 786 HD2 PHE 535 HD2 PHE 535 7.533 -5.217 -2.413 787 HE1 PHE 535 HE1 PHE 535 9.899 -6.748 1.625 788 HE2 PHE 535 HE2 PHE 535 8.269 -7.558 -2.233 789 HZ PHE 535 HZ PHE 535 9.455 -8.324 -0.214 790 H ASP 536 H ASP 536 11.302 -2.875 -1.747 791 HA ASP 536 HA ASP 536 10.703 -2.639 -4.607 792 HB2 ASP 536 HB2 ASP 536 13.306 -2.884 -4.735 793 HB3 ASP 536 HB3 ASP 536 12.581 -1.364 -4.229 794 H VAL 537 H VAL 537 10.857 -4.248 -6.050 795 HA VAL 537 HA VAL 537 11.512 -6.959 -5.072 796 HB VAL 537 HB VAL 537 9.403 -6.208 -7.118 797 HG11 VAL 537 HG11 VAL 537 10.124 -8.904 -5.951 798 HG12 VAL 537 HG12 VAL 537 10.403 -8.374 -7.611 799 HG13 VAL 537 HG13 VAL 537 8.756 -8.580 -7.017 800 HG21 VAL 537 HG21 VAL 537 9.091 -7.194 -4.278 801 HG22 VAL 537 HG22 VAL 537 7.777 -6.941 -5.429 802 HG23 VAL 537 HG23 VAL 537 8.732 -5.569 -4.863 803 H SER 538 H SER 538 12.973 -8.102 -6.231 804 HA SER 538 HA SER 538 13.981 -6.964 -8.749 805 HB2 SER 538 HB2 SER 538 15.693 -7.398 -7.058 806 HB3 SER 538 HB3 SER 538 15.184 -9.084 -6.942 807 HG SER 538 HG SER 538 16.811 -9.205 -8.351 808 H VAL 539 H VAL 539 13.382 -7.827 -10.624 809 HA VAL 539 HA VAL 539 12.233 -10.546 -10.669 810 HB VAL 539 HB VAL 539 12.037 -8.425 -12.820 811 HG11 VAL 539 HG11 VAL 539 10.182 -9.808 -13.661 812 HG12 VAL 539 HG12 VAL 539 10.497 -10.994 -12.394 813 HG13 VAL 539 HG13 VAL 539 11.707 -10.696 -13.642 814 HG21 VAL 539 HG21 VAL 539 10.967 -7.614 -10.784 815 HG22 VAL 539 HG22 VAL 539 10.041 -9.108 -10.654 816 HG23 VAL 539 HG23 VAL 539 9.756 -8.008 -12.004 817 H VAL 540 H VAL 540 13.219 -12.168 -11.792 818 HA VAL 540 HA VAL 540 15.505 -11.480 -13.542 819 HB VAL 540 HB VAL 540 16.706 -13.486 -12.673 820 HG11 VAL 540 HG11 VAL 540 17.277 -11.259 -11.851 821 HG12 VAL 540 HG12 VAL 540 17.446 -12.459 -10.568 822 HG13 VAL 540 HG13 VAL 540 16.042 -11.389 -10.597 823 HG21 VAL 540 HG21 VAL 540 15.983 -14.456 -10.517 824 HG22 VAL 540 HG22 VAL 540 14.811 -14.743 -11.804 825 HG23 VAL 540 HG23 VAL 540 14.506 -13.497 -10.593 826 H LEU 541 H LEU 541 16.181 -13.280 -14.993 827 HA LEU 541 HA LEU 541 13.898 -14.451 -16.316 828 HB2 LEU 541 HB2 LEU 541 16.862 -14.689 -16.862 829 HB3 LEU 541 HB3 LEU 541 15.609 -15.336 -17.904 830 HG LEU 541 HG LEU 541 15.957 -12.394 -17.273 831 HD11 LEU 541 HD11 LEU 541 16.801 -12.197 -19.564 832 HD12 LEU 541 HD12 LEU 541 16.724 -13.951 -19.747 833 HD13 LEU 541 HD13 LEU 541 17.839 -13.233 -18.584 834 HD21 LEU 541 HD21 LEU 541 14.381 -12.067 -19.121 835 HD22 LEU 541 HD22 LEU 541 13.653 -12.998 -17.812 836 HD23 LEU 541 HD23 LEU 541 14.198 -13.814 -19.278 837 H GLU 542 H GLU 542 15.522 -15.478 -13.653 838 HA GLU 542 HA GLU 542 15.198 -18.335 -14.325 839 HB2 GLU 542 HB2 GLU 542 17.122 -18.724 -12.695 840 HB3 GLU 542 HB3 GLU 542 17.528 -18.005 -14.248 841 HG2 GLU 542 HG2 GLU 542 17.518 -15.769 -13.152 842 HG3 GLU 542 HG3 GLU 542 17.277 -16.578 -11.604 Start of MODEL 13 1 H1 MET 435 H1 MET 435 -10.899 16.919 21.097 2 H2 MET 435 H2 MET 435 -11.866 15.571 20.776 3 H3 MET 435 H3 MET 435 -12.519 17.129 20.658 4 HA MET 435 HA MET 435 -12.110 16.282 18.474 5 HB2 MET 435 HB2 MET 435 -11.771 18.690 18.868 6 HB3 MET 435 HB3 MET 435 -10.084 18.391 19.261 7 HG2 MET 435 HG2 MET 435 -9.707 17.580 16.973 8 HG3 MET 435 HG3 MET 435 -11.393 17.925 16.585 9 HE1 MET 435 HE1 MET 435 -12.415 20.392 16.446 10 HE2 MET 435 HE2 MET 435 -11.518 21.828 16.935 11 HE3 MET 435 HE3 MET 435 -11.943 20.604 18.132 12 H GLU 436 H GLU 436 -11.311 14.267 18.097 13 HA GLU 436 HA GLU 436 -8.473 13.729 18.586 14 HB2 GLU 436 HB2 GLU 436 -10.787 11.930 17.851 15 HB3 GLU 436 HB3 GLU 436 -9.123 11.369 17.898 16 HG2 GLU 436 HG2 GLU 436 -10.181 10.745 19.933 17 HG3 GLU 436 HG3 GLU 436 -9.018 12.019 20.289 18 H PHE 437 H PHE 437 -7.009 13.232 17.009 19 HA PHE 437 HA PHE 437 -7.892 13.493 14.203 20 HB2 PHE 437 HB2 PHE 437 -5.208 14.213 15.413 21 HB3 PHE 437 HB3 PHE 437 -5.587 14.278 13.695 22 HD1 PHE 437 HD1 PHE 437 -7.185 15.959 12.839 23 HD2 PHE 437 HD2 PHE 437 -5.937 15.927 16.913 24 HE1 PHE 437 HE1 PHE 437 -8.007 18.262 13.108 25 HE2 PHE 437 HE2 PHE 437 -6.761 18.228 17.184 26 HZ PHE 437 HZ PHE 437 -7.798 19.398 15.282 27 HA PRO 438 HA PRO 438 -6.552 9.289 13.857 28 HB2 PRO 438 HB2 PRO 438 -6.780 8.964 11.191 29 HB3 PRO 438 HB3 PRO 438 -8.189 9.150 12.245 30 HG2 PRO 438 HG2 PRO 438 -6.844 11.181 10.508 31 HG3 PRO 438 HG3 PRO 438 -8.573 10.895 10.755 32 HD2 PRO 438 HD2 PRO 438 -7.160 12.888 12.011 33 HD3 PRO 438 HD3 PRO 438 -8.627 12.147 12.679 34 H ASP 439 H ASP 439 -5.051 7.902 12.585 35 HA ASP 439 HA ASP 439 -2.737 9.218 11.386 36 HB2 ASP 439 HB2 ASP 439 -2.322 8.906 13.879 37 HB3 ASP 439 HB3 ASP 439 -2.431 7.171 13.607 38 H LEU 440 H LEU 440 -3.147 8.286 9.391 39 HA LEU 440 HA LEU 440 -3.844 5.427 9.312 40 HB2 LEU 440 HB2 LEU 440 -4.080 7.535 7.154 41 HB3 LEU 440 HB3 LEU 440 -4.674 5.885 7.057 42 HG LEU 440 HG LEU 440 -5.670 7.950 9.035 43 HD11 LEU 440 HD11 LEU 440 -6.274 8.578 6.767 44 HD12 LEU 440 HD12 LEU 440 -7.693 8.032 7.662 45 HD13 LEU 440 HD13 LEU 440 -6.932 6.967 6.479 46 HD21 LEU 440 HD21 LEU 440 -7.483 6.341 9.437 47 HD22 LEU 440 HD22 LEU 440 -5.907 5.669 9.860 48 HD23 LEU 440 HD23 LEU 440 -6.696 5.190 8.357 49 H THR 441 H THR 441 -2.341 3.977 8.742 50 HA THR 441 HA THR 441 -0.124 4.858 6.998 51 HB THR 441 HB THR 441 0.701 4.744 9.307 52 HG1 THR 441 HG1 THR 441 2.344 4.249 8.013 53 HG21 THR 441 HG21 THR 441 -0.807 3.049 10.206 54 HG22 THR 441 HG22 THR 441 0.876 2.582 10.460 55 HG23 THR 441 HG23 THR 441 -0.067 1.824 9.177 56 H VAL 442 H VAL 442 1.023 3.124 5.904 57 HA VAL 442 HA VAL 442 -0.705 0.794 5.331 58 HB VAL 442 HB VAL 442 0.108 0.893 2.982 59 HG11 VAL 442 HG11 VAL 442 -2.049 1.894 3.580 60 HG12 VAL 442 HG12 VAL 442 -1.272 2.778 2.270 61 HG13 VAL 442 HG13 VAL 442 -1.249 3.429 3.909 62 HG21 VAL 442 HG21 VAL 442 2.201 2.092 3.344 63 HG22 VAL 442 HG22 VAL 442 1.312 3.537 3.828 64 HG23 VAL 442 HG23 VAL 442 1.200 2.946 2.171 65 H GLU 443 H GLU 443 0.315 -1.172 4.890 66 HA GLU 443 HA GLU 443 3.252 -1.302 5.210 67 HB2 GLU 443 HB2 GLU 443 1.267 -3.246 6.430 68 HB3 GLU 443 HB3 GLU 443 3.018 -3.285 6.609 69 HG2 GLU 443 HG2 GLU 443 3.004 -1.296 7.928 70 HG3 GLU 443 HG3 GLU 443 1.302 -1.005 7.578 71 H ILE 444 H ILE 444 4.280 -2.722 3.814 72 HA ILE 444 HA ILE 444 2.527 -4.163 1.908 73 HB ILE 444 HB ILE 444 5.319 -3.113 1.378 74 HG12 ILE 444 HG12 ILE 444 2.635 -2.053 0.434 75 HG13 ILE 444 HG13 ILE 444 3.659 -1.291 1.646 76 HG21 ILE 444 HG21 ILE 444 3.276 -4.379 -0.462 77 HG22 ILE 444 HG22 ILE 444 4.804 -5.092 0.057 78 HG23 ILE 444 HG23 ILE 444 4.804 -3.665 -0.978 79 HD11 ILE 444 HD11 ILE 444 5.399 -0.956 -0.042 80 HD12 ILE 444 HD12 ILE 444 3.879 -0.186 -0.499 81 HD13 ILE 444 HD13 ILE 444 4.359 -1.705 -1.255 82 H LYS 445 H LYS 445 2.675 -6.304 1.821 83 HA LYS 445 HA LYS 445 5.162 -7.646 2.672 84 HB2 LYS 445 HB2 LYS 445 3.394 -7.766 4.450 85 HB3 LYS 445 HB3 LYS 445 2.354 -8.602 3.307 86 HG2 LYS 445 HG2 LYS 445 3.384 -10.192 4.805 87 HG3 LYS 445 HG3 LYS 445 4.004 -10.431 3.167 88 HD2 LYS 445 HD2 LYS 445 6.032 -9.198 3.740 89 HD3 LYS 445 HD3 LYS 445 5.406 -8.889 5.361 90 HE2 LYS 445 HE2 LYS 445 5.394 -11.302 5.810 91 HE3 LYS 445 HE3 LYS 445 6.024 -11.609 4.191 92 HZ1 LYS 445 HZ1 LYS 445 7.811 -11.656 5.779 93 HZ2 LYS 445 HZ2 LYS 445 7.398 -10.122 6.365 94 HZ3 LYS 445 HZ3 LYS 445 7.995 -10.295 4.795 95 H GLY 446 H GLY 446 5.732 -9.481 1.462 96 HA2 GLY 446 HA2 GLY 446 4.242 -11.114 -0.116 97 HA3 GLY 446 HA3 GLY 446 4.471 -9.704 -1.138 98 HA PRO 447 HA PRO 447 8.068 -12.724 -1.658 99 HB2 PRO 447 HB2 PRO 447 7.845 -12.970 -4.372 100 HB3 PRO 447 HB3 PRO 447 7.007 -14.022 -3.225 101 HG2 PRO 447 HG2 PRO 447 5.972 -11.624 -4.699 102 HG3 PRO 447 HG3 PRO 447 5.192 -13.195 -4.438 103 HD2 PRO 447 HD2 PRO 447 4.565 -11.026 -2.963 104 HD3 PRO 447 HD3 PRO 447 4.557 -12.664 -2.273 105 H ASP 448 H ASP 448 9.855 -11.520 -1.447 106 HA ASP 448 HA ASP 448 10.243 -9.004 -2.752 107 HB2 ASP 448 HB2 ASP 448 12.547 -9.187 -1.673 108 HB3 ASP 448 HB3 ASP 448 11.163 -9.214 -0.585 109 H VAL 449 H VAL 449 10.889 -12.221 -3.722 110 HA VAL 449 HA VAL 449 12.396 -11.197 -6.044 111 HB VAL 449 HB VAL 449 12.980 -13.809 -4.612 112 HG11 VAL 449 HG11 VAL 449 13.199 -14.075 -7.024 113 HG12 VAL 449 HG12 VAL 449 14.791 -14.083 -6.265 114 HG13 VAL 449 HG13 VAL 449 14.223 -12.642 -7.111 115 HG21 VAL 449 HG21 VAL 449 15.194 -12.835 -4.178 116 HG22 VAL 449 HG22 VAL 449 13.908 -11.882 -3.436 117 HG23 VAL 449 HG23 VAL 449 14.673 -11.323 -4.924 118 H VAL 450 H VAL 450 11.454 -11.705 -7.941 119 HA VAL 450 HA VAL 450 9.772 -14.117 -8.111 120 HB VAL 450 HB VAL 450 8.055 -12.922 -9.404 121 HG11 VAL 450 HG11 VAL 450 7.719 -13.218 -7.005 122 HG12 VAL 450 HG12 VAL 450 7.015 -11.695 -7.550 123 HG13 VAL 450 HG13 VAL 450 8.552 -11.696 -6.687 124 HG21 VAL 450 HG21 VAL 450 9.585 -10.415 -8.682 125 HG22 VAL 450 HG22 VAL 450 8.005 -10.470 -9.466 126 HG23 VAL 450 HG23 VAL 450 9.424 -11.109 -10.296 127 H GLY 451 H GLY 451 9.301 -14.778 -10.354 128 HA2 GLY 451 HA2 GLY 451 11.623 -14.289 -12.090 129 HA3 GLY 451 HA3 GLY 451 10.511 -15.644 -12.205 130 H VAL 452 H VAL 452 11.404 -13.882 -14.330 131 HA VAL 452 HA VAL 452 9.438 -11.987 -15.034 132 HB VAL 452 HB VAL 452 11.689 -12.084 -16.065 133 HG11 VAL 452 HG11 VAL 452 10.620 -14.495 -17.539 134 HG12 VAL 452 HG12 VAL 452 11.909 -14.491 -16.335 135 HG13 VAL 452 HG13 VAL 452 12.145 -13.674 -17.879 136 HG21 VAL 452 HG21 VAL 452 9.416 -12.248 -18.049 137 HG22 VAL 452 HG22 VAL 452 11.000 -11.533 -18.355 138 HG23 VAL 452 HG23 VAL 452 9.920 -10.809 -17.162 139 H ASN 453 H ASN 453 7.607 -12.101 -16.301 140 HA ASN 453 HA ASN 453 5.732 -12.938 -17.264 141 HB2 ASN 453 HB2 ASN 453 7.578 -15.237 -17.931 142 HB3 ASN 453 HB3 ASN 453 5.912 -15.145 -18.495 143 HD21 ASN 453 HD21 ASN 453 8.417 -15.139 -20.002 144 HD22 ASN 453 HD22 ASN 453 8.383 -13.701 -20.954 145 H LYS 454 H LYS 454 6.679 -13.808 -14.404 146 HA LYS 454 HA LYS 454 4.807 -16.062 -14.061 147 HB2 LYS 454 HB2 LYS 454 6.960 -15.043 -12.193 148 HB3 LYS 454 HB3 LYS 454 5.910 -16.417 -11.873 149 HG2 LYS 454 HG2 LYS 454 7.956 -16.198 -14.080 150 HG3 LYS 454 HG3 LYS 454 8.089 -17.172 -12.616 151 HD2 LYS 454 HD2 LYS 454 6.071 -17.541 -14.838 152 HD3 LYS 454 HD3 LYS 454 7.471 -18.564 -14.519 153 HE2 LYS 454 HE2 LYS 454 6.507 -19.122 -12.301 154 HE3 LYS 454 HE3 LYS 454 5.077 -18.173 -12.715 155 HZ1 LYS 454 HZ1 LYS 454 4.718 -19.668 -14.604 156 HZ2 LYS 454 HZ2 LYS 454 4.681 -20.493 -13.128 157 HZ3 LYS 454 HZ3 LYS 454 6.042 -20.600 -14.123 158 H LEU 455 H LEU 455 3.496 -16.078 -12.044 159 HA LEU 455 HA LEU 455 2.231 -13.466 -11.696 160 HB2 LEU 455 HB2 LEU 455 0.858 -15.454 -12.245 161 HB3 LEU 455 HB3 LEU 455 1.356 -16.197 -10.735 162 HG LEU 455 HG LEU 455 0.259 -14.337 -9.498 163 HD11 LEU 455 HD11 LEU 455 -1.272 -12.853 -10.701 164 HD12 LEU 455 HD12 LEU 455 -0.724 -13.529 -12.234 165 HD13 LEU 455 HD13 LEU 455 0.397 -12.622 -11.219 166 HD21 LEU 455 HD21 LEU 455 -0.923 -16.444 -9.869 167 HD22 LEU 455 HD22 LEU 455 -1.539 -15.838 -11.407 168 HD23 LEU 455 HD23 LEU 455 -2.040 -15.079 -9.896 169 H ALA 456 H ALA 456 2.332 -12.280 -9.859 170 HA ALA 456 HA ALA 456 3.254 -13.579 -7.371 171 HB1 ALA 456 HB1 ALA 456 4.109 -10.856 -8.364 172 HB2 ALA 456 HB2 ALA 456 5.109 -12.309 -8.334 173 HB3 ALA 456 HB3 ALA 456 4.560 -11.585 -6.823 174 H GLU 457 H GLU 457 2.014 -13.166 -5.617 175 HA GLU 457 HA GLU 457 0.018 -10.992 -5.783 176 HB2 GLU 457 HB2 GLU 457 -0.086 -13.709 -4.503 177 HB3 GLU 457 HB3 GLU 457 -1.119 -12.416 -3.913 178 HG2 GLU 457 HG2 GLU 457 -2.191 -12.206 -6.040 179 HG3 GLU 457 HG3 GLU 457 -1.060 -13.345 -6.778 180 H TYR 458 H TYR 458 0.031 -9.429 -4.294 181 HA TYR 458 HA TYR 458 1.824 -9.723 -1.957 182 HB2 TYR 458 HB2 TYR 458 1.308 -7.262 -3.650 183 HB3 TYR 458 HB3 TYR 458 2.203 -7.249 -2.136 184 HD1 TYR 458 HD1 TYR 458 2.228 -8.647 -5.586 185 HD2 TYR 458 HD2 TYR 458 4.508 -7.737 -2.105 186 HE1 TYR 458 HE1 TYR 458 4.296 -9.146 -6.813 187 HE2 TYR 458 HE2 TYR 458 6.580 -8.234 -3.325 188 HH TYR 458 HH TYR 458 7.318 -9.502 -5.256 189 H GLU 459 H GLU 459 1.249 -8.458 -0.085 190 HA GLU 459 HA GLU 459 -1.649 -7.911 0.128 191 HB2 GLU 459 HB2 GLU 459 0.205 -8.944 2.288 192 HB3 GLU 459 HB3 GLU 459 -1.514 -8.628 2.470 193 HG2 GLU 459 HG2 GLU 459 -2.011 -10.399 0.860 194 HG3 GLU 459 HG3 GLU 459 -0.286 -10.718 0.681 195 H VAL 460 H VAL 460 -2.148 -5.879 0.643 196 HA VAL 460 HA VAL 460 -0.156 -4.161 1.952 197 HB VAL 460 HB VAL 460 -2.786 -3.354 0.682 198 HG11 VAL 460 HG11 VAL 460 -2.007 -1.762 2.348 199 HG12 VAL 460 HG12 VAL 460 -1.831 -1.082 0.730 200 HG13 VAL 460 HG13 VAL 460 -0.418 -1.705 1.584 201 HG21 VAL 460 HG21 VAL 460 -1.453 -2.556 -1.221 202 HG22 VAL 460 HG22 VAL 460 -1.309 -4.302 -1.011 203 HG23 VAL 460 HG23 VAL 460 -0.001 -3.239 -0.488 204 H HIS 461 H HIS 461 -0.311 -4.138 4.115 205 HA HIS 461 HA HIS 461 -2.912 -4.500 5.423 206 HB2 HIS 461 HB2 HIS 461 -0.095 -4.420 6.534 207 HB3 HIS 461 HB3 HIS 461 -1.538 -4.584 7.526 208 HD1 HIS 461 HD1 HIS 461 -2.270 -6.907 7.982 209 HD2 HIS 461 HD2 HIS 461 0.195 -6.692 4.643 210 HE1 HIS 461 HE1 HIS 461 -1.857 -9.283 7.294 211 HE2 HIS 461 HE2 HIS 461 -0.217 -9.132 5.397 212 H VAL 462 H VAL 462 -4.065 -2.698 5.706 213 HA VAL 462 HA VAL 462 -2.653 -0.171 6.258 214 HB VAL 462 HB VAL 462 -4.683 0.988 5.515 215 HG11 VAL 462 HG11 VAL 462 -2.919 0.383 3.899 216 HG12 VAL 462 HG12 VAL 462 -4.511 0.471 3.152 217 HG13 VAL 462 HG13 VAL 462 -3.795 -1.098 3.518 218 HG21 VAL 462 HG21 VAL 462 -6.521 -0.277 4.437 219 HG22 VAL 462 HG22 VAL 462 -6.387 -0.630 6.160 220 HG23 VAL 462 HG23 VAL 462 -5.779 -1.784 4.974 221 H LYS 463 H LYS 463 -2.770 0.667 8.249 222 HA LYS 463 HA LYS 463 -4.919 -0.257 10.041 223 HB2 LYS 463 HB2 LYS 463 -3.110 -0.262 11.877 224 HB3 LYS 463 HB3 LYS 463 -3.189 -1.625 10.770 225 HG2 LYS 463 HG2 LYS 463 -1.208 -1.114 9.768 226 HG3 LYS 463 HG3 LYS 463 -1.376 0.617 10.046 227 HD2 LYS 463 HD2 LYS 463 0.433 -0.264 11.400 228 HD3 LYS 463 HD3 LYS 463 -0.895 0.263 12.432 229 HE2 LYS 463 HE2 LYS 463 -0.016 -1.839 13.247 230 HE3 LYS 463 HE3 LYS 463 -1.647 -2.082 12.625 231 HZ1 LYS 463 HZ1 LYS 463 -0.752 -3.033 10.633 232 HZ2 LYS 463 HZ2 LYS 463 -0.071 -3.828 11.959 233 HZ3 LYS 463 HZ3 LYS 463 0.836 -2.685 11.103 234 H ASN 464 H ASN 464 -5.560 1.115 11.675 235 HA ASN 464 HA ASN 464 -4.783 3.935 11.356 236 HB2 ASN 464 HB2 ASN 464 -7.191 3.267 11.203 237 HB3 ASN 464 HB3 ASN 464 -7.114 2.709 12.867 238 HD21 ASN 464 HD21 ASN 464 -8.811 4.720 11.706 239 HD22 ASN 464 HD22 ASN 464 -8.502 6.184 12.567 240 H LEU 465 H LEU 465 -3.557 4.915 12.874 241 HA LEU 465 HA LEU 465 -3.056 3.495 15.411 242 HB2 LEU 465 HB2 LEU 465 -1.338 5.552 14.008 243 HB3 LEU 465 HB3 LEU 465 -0.916 4.690 15.478 244 HG LEU 465 HG LEU 465 -1.298 3.442 12.746 245 HD11 LEU 465 HD11 LEU 465 0.752 4.757 12.903 246 HD12 LEU 465 HD12 LEU 465 1.102 3.033 12.814 247 HD13 LEU 465 HD13 LEU 465 1.218 3.877 14.360 248 HD21 LEU 465 HD21 LEU 465 -0.468 2.188 15.365 249 HD22 LEU 465 HD22 LEU 465 -0.472 1.386 13.793 250 HD23 LEU 465 HD23 LEU 465 -1.990 1.920 14.514 251 H GLY 466 H GLY 466 -4.607 6.211 14.167 252 HA2 GLY 466 HA2 GLY 466 -4.114 8.060 16.314 253 HA3 GLY 466 HA3 GLY 466 -5.335 8.216 15.061 254 H GLY 467 H GLY 467 -6.516 5.563 15.735 255 HA2 GLY 467 HA2 GLY 467 -7.842 4.549 17.387 256 HA3 GLY 467 HA3 GLY 467 -7.449 5.859 18.487 257 H ILE 468 H ILE 468 -8.585 6.657 15.337 258 HA ILE 468 HA ILE 468 -11.347 7.031 16.262 259 HB ILE 468 HB ILE 468 -10.497 9.196 16.646 260 HG12 ILE 468 HG12 ILE 468 -11.635 9.328 13.835 261 HG13 ILE 468 HG13 ILE 468 -12.610 9.135 15.293 262 HG21 ILE 468 HG21 ILE 468 -9.120 9.058 13.965 263 HG22 ILE 468 HG22 ILE 468 -8.347 8.942 15.545 264 HG23 ILE 468 HG23 ILE 468 -9.116 10.450 15.050 265 HD11 ILE 468 HD11 ILE 468 -10.882 11.501 14.583 266 HD12 ILE 468 HD12 ILE 468 -11.773 11.312 16.095 267 HD13 ILE 468 HD13 ILE 468 -12.645 11.430 14.566 268 H GLY 469 H GLY 469 -12.903 6.676 14.712 269 HA2 GLY 469 HA2 GLY 469 -12.111 5.137 12.449 270 HA3 GLY 469 HA3 GLY 469 -13.747 5.598 12.863 271 H VAL 470 H VAL 470 -11.861 5.610 10.373 272 HA VAL 470 HA VAL 470 -12.828 8.180 9.302 273 HB VAL 470 HB VAL 470 -10.126 6.932 8.708 274 HG11 VAL 470 HG11 VAL 470 -11.353 9.505 7.695 275 HG12 VAL 470 HG12 VAL 470 -11.057 8.045 6.748 276 HG13 VAL 470 HG13 VAL 470 -9.699 8.967 7.394 277 HG21 VAL 470 HG21 VAL 470 -10.813 9.457 10.227 278 HG22 VAL 470 HG22 VAL 470 -9.184 8.914 9.818 279 HG23 VAL 470 HG23 VAL 470 -10.179 7.964 10.922 280 HA PRO 471 HA PRO 471 -14.239 5.251 6.133 281 HB2 PRO 471 HB2 PRO 471 -16.279 6.720 5.202 282 HB3 PRO 471 HB3 PRO 471 -16.358 5.914 6.773 283 HG2 PRO 471 HG2 PRO 471 -15.924 8.789 6.140 284 HG3 PRO 471 HG3 PRO 471 -16.766 8.054 7.514 285 HD2 PRO 471 HD2 PRO 471 -14.122 9.050 7.496 286 HD3 PRO 471 HD3 PRO 471 -14.869 8.064 8.767 287 H SER 472 H SER 472 -12.801 8.321 5.737 288 HA SER 472 HA SER 472 -13.096 8.518 2.866 289 HB2 SER 472 HB2 SER 472 -11.733 10.521 3.018 290 HB3 SER 472 HB3 SER 472 -12.959 10.546 4.284 291 HG SER 472 HG SER 472 -10.190 9.915 4.551 292 H THR 473 H THR 473 -11.512 6.195 4.197 293 HA THR 473 HA THR 473 -8.747 6.877 3.618 294 HB THR 473 HB THR 473 -9.954 4.396 4.869 295 HG1 THR 473 HG1 THR 473 -8.698 6.724 5.919 296 HG21 THR 473 HG21 THR 473 -7.049 5.212 4.646 297 HG22 THR 473 HG22 THR 473 -7.812 3.875 3.787 298 HG23 THR 473 HG23 THR 473 -7.665 3.825 5.545 299 H LYS 474 H LYS 474 -8.017 6.627 1.654 300 HA LYS 474 HA LYS 474 -8.901 4.330 0.012 301 HB2 LYS 474 HB2 LYS 474 -8.105 7.088 -0.963 302 HB3 LYS 474 HB3 LYS 474 -8.695 5.758 -1.956 303 HG2 LYS 474 HG2 LYS 474 -10.871 5.893 -1.001 304 HG3 LYS 474 HG3 LYS 474 -10.315 6.990 0.265 305 HD2 LYS 474 HD2 LYS 474 -9.795 8.669 -1.513 306 HD3 LYS 474 HD3 LYS 474 -10.537 7.580 -2.689 307 HE2 LYS 474 HE2 LYS 474 -12.665 7.733 -1.566 308 HE3 LYS 474 HE3 LYS 474 -11.950 8.670 -0.254 309 HZ1 LYS 474 HZ1 LYS 474 -13.118 10.105 -1.773 310 HZ2 LYS 474 HZ2 LYS 474 -12.207 9.539 -3.082 311 HZ3 LYS 474 HZ3 LYS 474 -11.461 10.430 -1.853 312 H VAL 475 H VAL 475 -7.340 3.024 -0.747 313 HA VAL 475 HA VAL 475 -4.538 3.747 -0.165 314 HB VAL 475 HB VAL 475 -5.688 0.987 -0.639 315 HG11 VAL 475 HG11 VAL 475 -3.037 1.881 0.510 316 HG12 VAL 475 HG12 VAL 475 -3.292 1.114 -1.058 317 HG13 VAL 475 HG13 VAL 475 -3.603 0.212 0.425 318 HG21 VAL 475 HG21 VAL 475 -5.110 2.364 1.988 319 HG22 VAL 475 HG22 VAL 475 -5.632 0.691 1.786 320 HG23 VAL 475 HG23 VAL 475 -6.711 2.011 1.337 321 H ARG 476 H ARG 476 -3.024 3.808 -1.729 322 HA ARG 476 HA ARG 476 -3.711 2.833 -4.433 323 HB2 ARG 476 HB2 ARG 476 -2.255 5.355 -3.623 324 HB3 ARG 476 HB3 ARG 476 -2.147 4.688 -5.247 325 HG2 ARG 476 HG2 ARG 476 -4.557 4.930 -5.527 326 HG3 ARG 476 HG3 ARG 476 -4.694 5.565 -3.885 327 HD2 ARG 476 HD2 ARG 476 -3.419 7.512 -4.458 328 HD3 ARG 476 HD3 ARG 476 -2.998 6.839 -6.032 329 HE ARG 476 HE ARG 476 -5.317 7.118 -6.684 330 HH11 ARG 476 HH11 ARG 476 -4.382 8.748 -3.806 331 HH12 ARG 476 HH12 ARG 476 -5.604 9.960 -3.964 332 HH21 ARG 476 HH21 ARG 476 -6.861 8.701 -6.889 333 HH22 ARG 476 HH22 ARG 476 -6.973 9.944 -5.689 334 H VAL 477 H VAL 477 -2.140 1.742 -5.570 335 HA VAL 477 HA VAL 477 0.414 1.230 -4.166 336 HB VAL 477 HB VAL 477 -1.196 -0.683 -5.888 337 HG11 VAL 477 HG11 VAL 477 1.171 -1.024 -6.299 338 HG12 VAL 477 HG12 VAL 477 0.540 -2.352 -5.326 339 HG13 VAL 477 HG13 VAL 477 1.497 -1.079 -4.567 340 HG21 VAL 477 HG21 VAL 477 -0.520 -0.767 -2.938 341 HG22 VAL 477 HG22 VAL 477 -1.396 -2.010 -3.833 342 HG23 VAL 477 HG23 VAL 477 -2.102 -0.407 -3.631 343 H TYR 478 H TYR 478 2.159 1.874 -5.219 344 HA TYR 478 HA TYR 478 2.048 2.315 -8.138 345 HB2 TYR 478 HB2 TYR 478 3.954 3.576 -6.143 346 HB3 TYR 478 HB3 TYR 478 3.797 3.981 -7.847 347 HD1 TYR 478 HD1 TYR 478 1.914 5.337 -8.635 348 HD2 TYR 478 HD2 TYR 478 2.360 4.387 -4.508 349 HE1 TYR 478 HE1 TYR 478 0.304 7.110 -8.056 350 HE2 TYR 478 HE2 TYR 478 0.751 6.147 -3.923 351 HH TYR 478 HH TYR 478 -0.113 8.237 -4.877 352 H ILE 479 H ILE 479 3.509 1.285 -9.424 353 HA ILE 479 HA ILE 479 5.705 -0.220 -8.136 354 HB ILE 479 HB ILE 479 4.336 -0.833 -10.773 355 HG12 ILE 479 HG12 ILE 479 4.197 -2.283 -8.108 356 HG13 ILE 479 HG13 ILE 479 2.909 -1.311 -8.808 357 HG21 ILE 479 HG21 ILE 479 6.493 -2.340 -9.277 358 HG22 ILE 479 HG22 ILE 479 6.685 -1.472 -10.801 359 HG23 ILE 479 HG23 ILE 479 5.667 -2.909 -10.729 360 HD11 ILE 479 HD11 ILE 479 2.483 -3.667 -9.111 361 HD12 ILE 479 HD12 ILE 479 4.020 -3.862 -9.952 362 HD13 ILE 479 HD13 ILE 479 2.739 -2.884 -10.670 363 H ASN 480 H ASN 480 7.575 0.855 -8.393 364 HA ASN 480 HA ASN 480 9.172 2.266 -9.192 365 HB2 ASN 480 HB2 ASN 480 8.253 1.022 -11.791 366 HB3 ASN 480 HB3 ASN 480 9.651 2.088 -11.678 367 HD21 ASN 480 HD21 ASN 480 9.630 -0.646 -12.513 368 HD22 ASN 480 HD22 ASN 480 10.644 -1.507 -11.409 369 H GLY 481 H GLY 481 6.587 3.401 -8.746 370 HA2 GLY 481 HA2 GLY 481 6.062 5.711 -8.842 371 HA3 GLY 481 HA3 GLY 481 6.886 5.818 -10.386 372 H THR 482 H THR 482 5.354 3.320 -11.260 373 HA THR 482 HA THR 482 3.131 4.786 -12.411 374 HB THR 482 HB THR 482 4.066 1.931 -12.821 375 HG1 THR 482 HG1 THR 482 5.410 2.905 -14.128 376 HG21 THR 482 HG21 THR 482 1.922 3.470 -14.301 377 HG22 THR 482 HG22 THR 482 1.664 2.070 -13.259 378 HG23 THR 482 HG23 THR 482 2.557 1.892 -14.770 379 H LEU 483 H LEU 483 1.162 4.893 -11.504 380 HA LEU 483 HA LEU 483 0.337 3.388 -9.269 381 HB2 LEU 483 HB2 LEU 483 -0.616 5.574 -9.799 382 HB3 LEU 483 HB3 LEU 483 -1.312 4.938 -11.279 383 HG LEU 483 HG LEU 483 -2.776 3.454 -9.935 384 HD11 LEU 483 HD11 LEU 483 -1.579 4.913 -7.575 385 HD12 LEU 483 HD12 LEU 483 -1.419 3.196 -7.945 386 HD13 LEU 483 HD13 LEU 483 -2.994 3.859 -7.511 387 HD21 LEU 483 HD21 LEU 483 -2.973 6.385 -9.219 388 HD22 LEU 483 HD22 LEU 483 -4.279 5.203 -9.116 389 HD23 LEU 483 HD23 LEU 483 -3.601 5.629 -10.686 390 H TYR 484 H TYR 484 -0.127 1.292 -9.219 391 HA TYR 484 HA TYR 484 -0.919 -0.133 -11.630 392 HB2 TYR 484 HB2 TYR 484 0.807 -1.185 -10.361 393 HB3 TYR 484 HB3 TYR 484 -0.101 -1.025 -8.861 394 HD1 TYR 484 HD1 TYR 484 -0.049 -2.797 -12.134 395 HD2 TYR 484 HD2 TYR 484 -1.593 -2.721 -8.165 396 HE1 TYR 484 HE1 TYR 484 -0.995 -5.043 -12.461 397 HE2 TYR 484 HE2 TYR 484 -2.547 -4.959 -8.489 398 HH TYR 484 HH TYR 484 -1.703 -6.975 -11.044 399 H LYS 485 H LYS 485 -2.288 0.542 -8.400 400 HA LYS 485 HA LYS 485 -4.973 0.076 -9.320 401 HB2 LYS 485 HB2 LYS 485 -4.026 -2.246 -9.041 402 HB3 LYS 485 HB3 LYS 485 -3.853 -1.909 -7.327 403 HG2 LYS 485 HG2 LYS 485 -6.259 -1.657 -7.103 404 HG3 LYS 485 HG3 LYS 485 -6.463 -1.894 -8.842 405 HD2 LYS 485 HD2 LYS 485 -5.498 -4.152 -8.628 406 HD3 LYS 485 HD3 LYS 485 -5.350 -3.917 -6.887 407 HE2 LYS 485 HE2 LYS 485 -7.330 -5.208 -7.314 408 HE3 LYS 485 HE3 LYS 485 -7.821 -3.601 -6.782 409 HZ1 LYS 485 HZ1 LYS 485 -9.143 -4.333 -8.650 410 HZ2 LYS 485 HZ2 LYS 485 -7.757 -4.566 -9.589 411 HZ3 LYS 485 HZ3 LYS 485 -8.199 -3.007 -9.107 412 H ASN 486 H ASN 486 -6.599 0.418 -7.589 413 HA ASN 486 HA ASN 486 -5.593 1.465 -5.050 414 HB2 ASN 486 HB2 ASN 486 -6.968 3.531 -5.243 415 HB3 ASN 486 HB3 ASN 486 -5.659 3.463 -6.419 416 HD21 ASN 486 HD21 ASN 486 -6.163 3.147 -8.598 417 HD22 ASN 486 HD22 ASN 486 -7.757 3.396 -9.207 418 H TRP 487 H TRP 487 -7.201 1.659 -3.392 419 HA TRP 487 HA TRP 487 -9.794 0.346 -3.909 420 HB2 TRP 487 HB2 TRP 487 -7.939 -0.271 -1.590 421 HB3 TRP 487 HB3 TRP 487 -9.580 -0.876 -1.753 422 HD1 TRP 487 HD1 TRP 487 -9.992 -2.762 -3.685 423 HE1 TRP 487 HE1 TRP 487 -8.365 -4.477 -4.697 424 HE3 TRP 487 HE3 TRP 487 -5.568 -0.616 -2.281 425 HZ2 TRP 487 HZ2 TRP 487 -5.572 -4.871 -4.877 426 HZ3 TRP 487 HZ3 TRP 487 -3.465 -1.725 -2.910 427 HH2 TRP 487 HH2 TRP 487 -3.470 -3.809 -4.182 428 H THR 488 H THR 488 -11.515 1.057 -2.614 429 HA THR 488 HA THR 488 -10.969 3.319 -0.792 430 HB THR 488 HB THR 488 -13.631 2.452 -1.975 431 HG1 THR 488 HG1 THR 488 -13.386 4.393 -3.220 432 HG21 THR 488 HG21 THR 488 -12.891 4.906 -0.370 433 HG22 THR 488 HG22 THR 488 -13.893 3.566 0.190 434 HG23 THR 488 HG23 THR 488 -14.460 4.604 -1.118 435 H VAL 489 H VAL 489 -10.969 2.867 1.347 436 HA VAL 489 HA VAL 489 -12.726 0.741 2.375 437 HB VAL 489 HB VAL 489 -10.936 -0.110 3.856 438 HG11 VAL 489 HG11 VAL 489 -11.399 -1.279 1.766 439 HG12 VAL 489 HG12 VAL 489 -9.684 -1.368 2.165 440 HG13 VAL 489 HG13 VAL 489 -10.241 -0.252 0.918 441 HG21 VAL 489 HG21 VAL 489 -9.512 1.869 3.944 442 HG22 VAL 489 HG22 VAL 489 -9.108 1.675 2.236 443 HG23 VAL 489 HG23 VAL 489 -8.586 0.467 3.411 444 H SER 490 H SER 490 -12.678 0.743 4.860 445 HA SER 490 HA SER 490 -12.393 3.486 5.920 446 HB2 SER 490 HB2 SER 490 -14.377 3.047 7.356 447 HB3 SER 490 HB3 SER 490 -14.775 2.998 5.639 448 HG SER 490 HG SER 490 -15.180 1.114 7.456 449 H LEU 491 H LEU 491 -11.290 3.674 7.814 450 HA LEU 491 HA LEU 491 -10.572 1.167 9.224 451 HB2 LEU 491 HB2 LEU 491 -8.982 3.712 8.868 452 HB3 LEU 491 HB3 LEU 491 -8.524 2.431 9.976 453 HG LEU 491 HG LEU 491 -8.753 2.130 6.971 454 HD11 LEU 491 HD11 LEU 491 -6.303 2.327 8.734 455 HD12 LEU 491 HD12 LEU 491 -6.865 3.549 7.592 456 HD13 LEU 491 HD13 LEU 491 -6.306 1.986 7.002 457 HD21 LEU 491 HD21 LEU 491 -9.240 0.049 8.130 458 HD22 LEU 491 HD22 LEU 491 -7.772 0.214 9.095 459 HD23 LEU 491 HD23 LEU 491 -7.660 -0.045 7.353 460 H GLY 492 H GLY 492 -11.500 0.990 11.156 461 HA2 GLY 492 HA2 GLY 492 -12.581 3.278 12.559 462 HA3 GLY 492 HA3 GLY 492 -12.654 1.601 13.077 463 HA PRO 493 HA PRO 493 -9.630 3.895 15.828 464 HB2 PRO 493 HB2 PRO 493 -10.507 2.730 18.148 465 HB3 PRO 493 HB3 PRO 493 -11.163 4.236 17.499 466 HG2 PRO 493 HG2 PRO 493 -12.247 1.449 17.265 467 HG3 PRO 493 HG3 PRO 493 -13.112 2.959 17.607 468 HD2 PRO 493 HD2 PRO 493 -13.116 1.853 15.147 469 HD3 PRO 493 HD3 PRO 493 -13.108 3.615 15.375 470 H LYS 494 H LYS 494 -7.773 2.859 15.273 471 HA LYS 494 HA LYS 494 -6.023 1.417 15.423 472 HB2 LYS 494 HB2 LYS 494 -7.695 0.060 17.551 473 HB3 LYS 494 HB3 LYS 494 -6.005 -0.293 17.221 474 HG2 LYS 494 HG2 LYS 494 -7.045 2.401 18.118 475 HG3 LYS 494 HG3 LYS 494 -6.366 1.173 19.193 476 HD2 LYS 494 HD2 LYS 494 -4.302 1.283 17.615 477 HD3 LYS 494 HD3 LYS 494 -4.993 2.821 17.089 478 HE2 LYS 494 HE2 LYS 494 -4.208 2.063 19.907 479 HE3 LYS 494 HE3 LYS 494 -3.360 3.188 18.850 480 HZ1 LYS 494 HZ1 LYS 494 -4.774 4.270 20.532 481 HZ2 LYS 494 HZ2 LYS 494 -6.139 3.575 19.821 482 HZ3 LYS 494 HZ3 LYS 494 -5.204 4.689 18.958 483 H GLU 495 H GLU 495 -8.404 0.933 13.662 484 HA GLU 495 HA GLU 495 -8.663 -1.943 13.417 485 HB2 GLU 495 HB2 GLU 495 -10.564 -0.450 12.978 486 HB3 GLU 495 HB3 GLU 495 -9.675 0.315 11.669 487 HG2 GLU 495 HG2 GLU 495 -11.277 -1.204 10.742 488 HG3 GLU 495 HG3 GLU 495 -9.657 -1.840 10.461 489 H GLU 496 H GLU 496 -7.975 -3.224 11.647 490 HA GLU 496 HA GLU 496 -6.141 -1.984 9.701 491 HB2 GLU 496 HB2 GLU 496 -4.771 -3.051 11.468 492 HB3 GLU 496 HB3 GLU 496 -5.568 -4.585 11.145 493 HG2 GLU 496 HG2 GLU 496 -4.684 -4.540 8.842 494 HG3 GLU 496 HG3 GLU 496 -3.857 -3.028 9.203 495 H LYS 497 H LYS 497 -6.437 -2.657 7.641 496 HA LYS 497 HA LYS 497 -8.118 -5.049 7.170 497 HB2 LYS 497 HB2 LYS 497 -7.900 -2.676 5.306 498 HB3 LYS 497 HB3 LYS 497 -9.044 -4.007 5.217 499 HG2 LYS 497 HG2 LYS 497 -8.963 -1.838 7.306 500 HG3 LYS 497 HG3 LYS 497 -10.141 -2.006 6.008 501 HD2 LYS 497 HD2 LYS 497 -9.742 -3.960 8.283 502 HD3 LYS 497 HD3 LYS 497 -11.029 -2.762 8.178 503 HE2 LYS 497 HE2 LYS 497 -11.864 -3.840 6.143 504 HE3 LYS 497 HE3 LYS 497 -10.579 -5.044 6.255 505 HZ1 LYS 497 HZ1 LYS 497 -12.758 -4.615 8.228 506 HZ2 LYS 497 HZ2 LYS 497 -11.490 -5.724 8.404 507 HZ3 LYS 497 HZ3 LYS 497 -12.613 -5.917 7.158 508 H VAL 498 H VAL 498 -7.560 -6.398 5.377 509 HA VAL 498 HA VAL 498 -4.773 -6.030 4.439 510 HB VAL 498 HB VAL 498 -6.243 -8.658 4.773 511 HG11 VAL 498 HG11 VAL 498 -4.031 -9.674 4.409 512 HG12 VAL 498 HG12 VAL 498 -3.349 -8.075 4.116 513 HG13 VAL 498 HG13 VAL 498 -4.556 -8.734 3.011 514 HG21 VAL 498 HG21 VAL 498 -4.090 -7.436 6.509 515 HG22 VAL 498 HG22 VAL 498 -4.783 -9.047 6.701 516 HG23 VAL 498 HG23 VAL 498 -5.790 -7.619 6.945 517 H LEU 499 H LEU 499 -4.706 -5.413 2.385 518 HA LEU 499 HA LEU 499 -6.786 -6.320 0.498 519 HB2 LEU 499 HB2 LEU 499 -4.814 -4.043 0.199 520 HB3 LEU 499 HB3 LEU 499 -6.164 -4.402 -0.865 521 HG LEU 499 HG LEU 499 -6.442 -3.563 2.031 522 HD11 LEU 499 HD11 LEU 499 -7.179 -1.408 1.177 523 HD12 LEU 499 HD12 LEU 499 -6.855 -1.934 -0.475 524 HD13 LEU 499 HD13 LEU 499 -5.525 -1.752 0.670 525 HD21 LEU 499 HD21 LEU 499 -8.812 -3.244 1.452 526 HD22 LEU 499 HD22 LEU 499 -8.307 -4.924 1.275 527 HD23 LEU 499 HD23 LEU 499 -8.500 -3.907 -0.153 528 H THR 500 H THR 500 -6.194 -7.245 -1.524 529 HA THR 500 HA THR 500 -3.334 -7.945 -1.833 530 HB THR 500 HB THR 500 -4.121 -10.161 -2.813 531 HG1 THR 500 HG1 THR 500 -6.335 -10.424 -1.370 532 HG21 THR 500 HG21 THR 500 -3.039 -10.061 -0.641 533 HG22 THR 500 HG22 THR 500 -4.350 -11.240 -0.610 534 HG23 THR 500 HG23 THR 500 -4.573 -9.655 0.133 535 H PHE 501 H PHE 501 -2.536 -8.185 -3.907 536 HA PHE 501 HA PHE 501 -4.361 -7.910 -6.170 537 HB2 PHE 501 HB2 PHE 501 -2.984 -6.161 -7.233 538 HB3 PHE 501 HB3 PHE 501 -3.697 -5.611 -5.724 539 HD1 PHE 501 HD1 PHE 501 -2.281 -5.300 -3.721 540 HD2 PHE 501 HD2 PHE 501 -0.610 -6.313 -7.509 541 HE1 PHE 501 HE1 PHE 501 -0.066 -4.578 -2.935 542 HE2 PHE 501 HE2 PHE 501 1.609 -5.599 -6.722 543 HZ PHE 501 HZ PHE 501 1.884 -4.727 -4.435 544 H SER 502 H SER 502 -3.573 -8.742 -8.129 545 HA SER 502 HA SER 502 -1.212 -10.493 -7.840 546 HB2 SER 502 HB2 SER 502 -2.321 -11.856 -9.662 547 HB3 SER 502 HB3 SER 502 -3.182 -11.819 -8.127 548 HG SER 502 HG SER 502 -3.950 -10.902 -10.588 549 H TRP 503 H TRP 503 0.515 -9.883 -8.938 550 HA TRP 503 HA TRP 503 0.199 -8.264 -11.389 551 HB2 TRP 503 HB2 TRP 503 0.946 -6.840 -9.609 552 HB3 TRP 503 HB3 TRP 503 2.172 -7.994 -9.113 553 HD1 TRP 503 HD1 TRP 503 1.431 -6.043 -12.414 554 HE1 TRP 503 HE1 TRP 503 3.671 -5.118 -13.277 555 HE3 TRP 503 HE3 TRP 503 4.525 -7.875 -8.774 556 HZ2 TRP 503 HZ2 TRP 503 6.388 -5.156 -12.513 557 HZ3 TRP 503 HZ3 TRP 503 6.931 -7.380 -8.910 558 HH2 TRP 503 HH2 TRP 503 7.841 -6.049 -10.744 559 H THR 504 H THR 504 1.411 -8.797 -13.151 560 HA THR 504 HA THR 504 3.321 -11.048 -12.886 561 HB THR 504 HB THR 504 1.467 -10.471 -15.219 562 HG1 THR 504 HG1 THR 504 1.514 -12.543 -13.257 563 HG21 THR 504 HG21 THR 504 2.317 -12.605 -16.139 564 HG22 THR 504 HG22 THR 504 3.496 -12.684 -14.831 565 HG23 THR 504 HG23 THR 504 3.581 -11.383 -16.019 566 HA PRO 505 HA PRO 505 5.907 -7.732 -14.672 567 HB2 PRO 505 HB2 PRO 505 8.265 -8.654 -13.736 568 HB3 PRO 505 HB3 PRO 505 7.123 -7.781 -12.710 569 HG2 PRO 505 HG2 PRO 505 7.605 -10.733 -12.921 570 HG3 PRO 505 HG3 PRO 505 7.360 -9.741 -11.471 571 HD2 PRO 505 HD2 PRO 505 5.387 -11.250 -12.628 572 HD3 PRO 505 HD3 PRO 505 5.072 -9.784 -11.679 573 H THR 506 H THR 506 5.833 -8.157 -16.876 574 HA THR 506 HA THR 506 7.043 -10.571 -17.965 575 HB THR 506 HB THR 506 6.315 -9.702 -20.173 576 HG1 THR 506 HG1 THR 506 6.219 -7.554 -20.130 577 HG21 THR 506 HG21 THR 506 4.776 -11.089 -18.892 578 HG22 THR 506 HG22 THR 506 3.882 -9.829 -19.745 579 HG23 THR 506 HG23 THR 506 4.193 -9.672 -18.015 580 H GLN 507 H GLN 507 8.029 -7.337 -17.338 581 HA GLN 507 HA GLN 507 10.463 -7.725 -18.951 582 HB2 GLN 507 HB2 GLN 507 9.256 -5.271 -17.682 583 HB3 GLN 507 HB3 GLN 507 10.940 -5.303 -18.177 584 HG2 GLN 507 HG2 GLN 507 9.725 -4.268 -19.906 585 HG3 GLN 507 HG3 GLN 507 10.169 -5.866 -20.486 586 HE21 GLN 507 HE21 GLN 507 7.550 -3.873 -19.331 587 HE22 GLN 507 HE22 GLN 507 6.274 -4.862 -19.948 588 H GLU 508 H GLU 508 12.431 -7.972 -18.029 589 HA GLU 508 HA GLU 508 12.505 -8.618 -15.200 590 HB2 GLU 508 HB2 GLU 508 14.984 -9.177 -15.832 591 HB3 GLU 508 HB3 GLU 508 13.679 -10.223 -16.360 592 HG2 GLU 508 HG2 GLU 508 15.211 -9.952 -18.165 593 HG3 GLU 508 HG3 GLU 508 13.723 -9.109 -18.570 594 H GLY 509 H GLY 509 13.964 -7.730 -13.656 595 HA2 GLY 509 HA2 GLY 509 15.855 -5.916 -13.618 596 HA3 GLY 509 HA3 GLY 509 14.538 -4.885 -14.155 597 H MET 510 H MET 510 15.225 -3.739 -12.122 598 HA MET 510 HA MET 510 14.273 -4.949 -9.641 599 HB2 MET 510 HB2 MET 510 15.553 -2.265 -10.199 600 HB3 MET 510 HB3 MET 510 15.066 -2.814 -8.602 601 HG2 MET 510 HG2 MET 510 17.159 -4.066 -10.370 602 HG3 MET 510 HG3 MET 510 17.435 -3.140 -8.897 603 HE1 MET 510 HE1 MET 510 14.980 -4.265 -7.105 604 HE2 MET 510 HE2 MET 510 16.596 -3.999 -6.451 605 HE3 MET 510 HE3 MET 510 15.792 -5.549 -6.211 606 H TYR 511 H TYR 511 12.241 -4.731 -8.954 607 HA TYR 511 HA TYR 511 10.687 -2.380 -9.837 608 HB2 TYR 511 HB2 TYR 511 9.776 -5.247 -9.539 609 HB3 TYR 511 HB3 TYR 511 8.658 -3.891 -9.685 610 HD1 TYR 511 HD1 TYR 511 11.462 -5.611 -11.425 611 HD2 TYR 511 HD2 TYR 511 8.097 -3.031 -11.804 612 HE1 TYR 511 HE1 TYR 511 11.681 -5.692 -13.868 613 HE2 TYR 511 HE2 TYR 511 8.314 -3.104 -14.251 614 HH TYR 511 HH TYR 511 10.277 -5.344 -15.850 615 H ARG 512 H ARG 512 10.382 -1.077 -8.201 616 HA ARG 512 HA ARG 512 10.152 -2.177 -5.485 617 HB2 ARG 512 HB2 ARG 512 11.968 -0.562 -5.932 618 HB3 ARG 512 HB3 ARG 512 10.772 0.646 -6.378 619 HG2 ARG 512 HG2 ARG 512 9.987 0.850 -4.173 620 HG3 ARG 512 HG3 ARG 512 10.774 -0.650 -3.666 621 HD2 ARG 512 HD2 ARG 512 12.184 1.885 -4.513 622 HD3 ARG 512 HD3 ARG 512 11.986 1.322 -2.852 623 HE ARG 512 HE ARG 512 13.214 -0.721 -4.310 624 HH11 ARG 512 HH11 ARG 512 13.934 2.484 -3.281 625 HH12 ARG 512 HH12 ARG 512 15.631 2.177 -3.179 626 HH21 ARG 512 HH21 ARG 512 15.367 -1.103 -4.172 627 HH22 ARG 512 HH22 ARG 512 16.441 0.163 -3.674 628 H ILE 513 H ILE 513 8.231 -2.252 -4.572 629 HA ILE 513 HA ILE 513 5.991 -0.766 -5.736 630 HB ILE 513 HB ILE 513 5.998 -3.033 -3.722 631 HG12 ILE 513 HG12 ILE 513 5.339 -3.014 -6.688 632 HG13 ILE 513 HG13 ILE 513 6.775 -3.724 -5.958 633 HG21 ILE 513 HG21 ILE 513 3.680 -1.729 -5.165 634 HG22 ILE 513 HG22 ILE 513 4.033 -1.616 -3.442 635 HG23 ILE 513 HG23 ILE 513 3.576 -3.165 -4.146 636 HD11 ILE 513 HD11 ILE 513 5.141 -5.422 -6.526 637 HD12 ILE 513 HD12 ILE 513 3.937 -4.626 -5.512 638 HD13 ILE 513 HD13 ILE 513 5.373 -5.341 -4.780 639 H ASN 514 H ASN 514 5.090 0.933 -4.762 640 HA ASN 514 HA ASN 514 5.587 1.400 -1.886 641 HB2 ASN 514 HB2 ASN 514 5.450 3.425 -4.135 642 HB3 ASN 514 HB3 ASN 514 5.442 3.856 -2.427 643 HD21 ASN 514 HD21 ASN 514 7.302 3.513 -1.204 644 HD22 ASN 514 HD22 ASN 514 8.848 3.341 -1.944 645 H ALA 515 H ALA 515 3.825 1.818 -0.635 646 HA ALA 515 HA ALA 515 1.227 2.140 -2.012 647 HB1 ALA 515 HB1 ALA 515 1.412 0.058 -0.725 648 HB2 ALA 515 HB2 ALA 515 0.172 1.129 -0.067 649 HB3 ALA 515 HB3 ALA 515 1.739 0.993 0.734 650 H THR 516 H THR 516 -0.102 3.807 -1.479 651 HA THR 516 HA THR 516 0.687 5.581 0.750 652 HB THR 516 HB THR 516 -0.043 7.537 -0.583 653 HG1 THR 516 HG1 THR 516 -0.317 7.202 -2.871 654 HG21 THR 516 HG21 THR 516 1.891 7.654 -2.087 655 HG22 THR 516 HG22 THR 516 2.120 5.912 -1.944 656 HG23 THR 516 HG23 THR 516 2.344 6.948 -0.535 657 H VAL 517 H VAL 517 -1.027 6.714 1.769 658 HA VAL 517 HA VAL 517 -3.746 5.760 1.122 659 HB VAL 517 HB VAL 517 -2.878 4.499 3.044 660 HG11 VAL 517 HG11 VAL 517 -2.460 5.632 5.195 661 HG12 VAL 517 HG12 VAL 517 -2.603 7.191 4.383 662 HG13 VAL 517 HG13 VAL 517 -1.298 6.087 3.949 663 HG21 VAL 517 HG21 VAL 517 -5.257 4.897 2.933 664 HG22 VAL 517 HG22 VAL 517 -5.069 6.453 3.744 665 HG23 VAL 517 HG23 VAL 517 -4.726 4.956 4.613 666 H ASP 518 H ASP 518 -5.406 7.220 1.365 667 HA ASP 518 HA ASP 518 -6.389 9.269 1.258 668 HB2 ASP 518 HB2 ASP 518 -4.849 9.340 3.838 669 HB3 ASP 518 HB3 ASP 518 -5.820 10.725 3.349 670 H GLU 519 H GLU 519 -4.371 9.237 -0.527 671 HA GLU 519 HA GLU 519 -2.397 11.177 -0.443 672 HB2 GLU 519 HB2 GLU 519 -4.046 10.166 -2.759 673 HB3 GLU 519 HB3 GLU 519 -2.673 11.239 -2.971 674 HG2 GLU 519 HG2 GLU 519 -2.419 8.613 -1.537 675 HG3 GLU 519 HG3 GLU 519 -2.319 8.724 -3.293 676 H GLU 520 H GLU 520 -5.838 11.598 -1.064 677 HA GLU 520 HA GLU 520 -5.722 14.287 -1.972 678 HB2 GLU 520 HB2 GLU 520 -8.161 14.309 -1.464 679 HB3 GLU 520 HB3 GLU 520 -7.657 12.938 -2.444 680 HG2 GLU 520 HG2 GLU 520 -7.619 11.553 -0.366 681 HG3 GLU 520 HG3 GLU 520 -8.313 12.925 0.499 682 H ASN 521 H ASN 521 -5.358 12.935 1.157 683 HA ASN 521 HA ASN 521 -5.178 13.786 3.258 684 HB2 ASN 521 HB2 ASN 521 -4.142 16.119 1.632 685 HB3 ASN 521 HB3 ASN 521 -3.963 15.984 3.379 686 HD21 ASN 521 HD21 ASN 521 -1.760 15.894 3.342 687 HD22 ASN 521 HD22 ASN 521 -0.877 14.544 2.734 688 H THR 522 H THR 522 -7.823 14.076 2.219 689 HA THR 522 HA THR 522 -8.866 16.667 2.854 690 HB THR 522 HB THR 522 -11.107 15.520 2.830 691 HG1 THR 522 HG1 THR 522 -10.543 13.236 1.702 692 HG21 THR 522 HG21 THR 522 -11.054 15.009 0.416 693 HG22 THR 522 HG22 THR 522 -9.291 15.025 0.464 694 HG23 THR 522 HG23 THR 522 -10.196 16.502 0.797 695 H VAL 523 H VAL 523 -7.936 13.986 4.763 696 HA VAL 523 HA VAL 523 -9.380 15.047 7.104 697 HB VAL 523 HB VAL 523 -9.786 12.672 6.663 698 HG11 VAL 523 HG11 VAL 523 -7.697 12.117 5.516 699 HG12 VAL 523 HG12 VAL 523 -8.004 11.004 6.848 700 HG13 VAL 523 HG13 VAL 523 -6.809 12.288 7.031 701 HG21 VAL 523 HG21 VAL 523 -9.807 13.454 8.980 702 HG22 VAL 523 HG22 VAL 523 -8.085 13.096 9.126 703 HG23 VAL 523 HG23 VAL 523 -9.241 11.788 8.879 704 H VAL 524 H VAL 524 -8.256 15.877 8.837 705 HA VAL 524 HA VAL 524 -5.407 16.323 8.505 706 HB VAL 524 HB VAL 524 -7.279 17.225 10.709 707 HG11 VAL 524 HG11 VAL 524 -4.965 17.098 11.505 708 HG12 VAL 524 HG12 VAL 524 -5.496 18.773 11.360 709 HG13 VAL 524 HG13 VAL 524 -4.434 18.077 10.136 710 HG21 VAL 524 HG21 VAL 524 -6.168 18.705 8.318 711 HG22 VAL 524 HG22 VAL 524 -7.119 19.427 9.615 712 HG23 VAL 524 HG23 VAL 524 -7.845 18.213 8.561 713 H GLU 525 H GLU 525 -3.991 14.849 9.144 714 HA GLU 525 HA GLU 525 -4.682 12.952 11.280 715 HB2 GLU 525 HB2 GLU 525 -2.487 12.887 9.198 716 HB3 GLU 525 HB3 GLU 525 -2.797 11.621 10.382 717 HG2 GLU 525 HG2 GLU 525 -4.894 11.093 9.387 718 HG3 GLU 525 HG3 GLU 525 -4.828 12.519 8.349 719 H LEU 526 H LEU 526 -2.697 12.137 12.526 720 HA LEU 526 HA LEU 526 -1.444 14.370 13.878 721 HB2 LEU 526 HB2 LEU 526 -1.198 11.387 14.303 722 HB3 LEU 526 HB3 LEU 526 -0.501 12.606 15.352 723 HG LEU 526 HG LEU 526 -3.469 12.269 14.866 724 HD11 LEU 526 HD11 LEU 526 -3.552 11.303 17.108 725 HD12 LEU 526 HD12 LEU 526 -1.794 11.398 17.224 726 HD13 LEU 526 HD13 LEU 526 -2.543 10.331 16.036 727 HD21 LEU 526 HD21 LEU 526 -1.956 13.933 16.885 728 HD22 LEU 526 HD22 LEU 526 -3.710 13.771 16.780 729 HD23 LEU 526 HD23 LEU 526 -2.817 14.549 15.474 730 H ASN 527 H ASN 527 -0.559 12.105 11.416 731 HA ASN 527 HA ASN 527 2.295 12.822 11.704 732 HB2 ASN 527 HB2 ASN 527 1.544 10.400 12.154 733 HB3 ASN 527 HB3 ASN 527 1.283 10.287 10.420 734 HD21 ASN 527 HD21 ASN 527 3.169 8.934 12.247 735 HD22 ASN 527 HD22 ASN 527 4.730 9.190 11.550 736 H GLU 528 H GLU 528 3.542 12.902 9.718 737 HA GLU 528 HA GLU 528 1.942 13.690 7.354 738 HB2 GLU 528 HB2 GLU 528 3.008 15.612 8.390 739 HB3 GLU 528 HB3 GLU 528 4.562 14.796 8.391 740 HG2 GLU 528 HG2 GLU 528 4.472 16.471 6.651 741 HG3 GLU 528 HG3 GLU 528 4.615 14.859 5.954 742 H ASN 529 H ASN 529 4.526 11.693 8.522 743 HA ASN 529 HA ASN 529 5.500 11.159 5.783 744 HB2 ASN 529 HB2 ASN 529 6.825 10.409 8.401 745 HB3 ASN 529 HB3 ASN 529 7.540 10.359 6.793 746 HD21 ASN 529 HD21 ASN 529 6.424 12.915 5.967 747 HD22 ASN 529 HD22 ASN 529 7.319 14.122 6.818 748 H ASN 530 H ASN 530 3.407 9.811 7.998 749 HA ASN 530 HA ASN 530 4.359 7.067 7.844 750 HB2 ASN 530 HB2 ASN 530 3.379 8.218 9.917 751 HB3 ASN 530 HB3 ASN 530 1.808 8.000 9.156 752 HD21 ASN 530 HD21 ASN 530 1.161 6.667 10.870 753 HD22 ASN 530 HD22 ASN 530 1.728 5.042 11.004 754 H ASN 531 H ASN 531 2.393 8.959 5.894 755 HA ASN 531 HA ASN 531 0.332 7.069 5.265 756 HB2 ASN 531 HB2 ASN 531 1.254 9.542 3.786 757 HB3 ASN 531 HB3 ASN 531 -0.209 8.634 3.415 758 HD21 ASN 531 HD21 ASN 531 -1.991 8.861 4.728 759 HD22 ASN 531 HD22 ASN 531 -2.103 10.048 5.978 760 H VAL 532 H VAL 532 3.540 6.821 4.544 761 HA VAL 532 HA VAL 532 3.029 5.514 1.938 762 HB VAL 532 HB VAL 532 5.520 7.082 2.656 763 HG11 VAL 532 HG11 VAL 532 6.156 6.761 0.306 764 HG12 VAL 532 HG12 VAL 532 4.719 5.771 0.051 765 HG13 VAL 532 HG13 VAL 532 5.988 5.218 1.143 766 HG21 VAL 532 HG21 VAL 532 4.764 8.701 0.957 767 HG22 VAL 532 HG22 VAL 532 3.639 8.586 2.311 768 HG23 VAL 532 HG23 VAL 532 3.260 7.798 0.781 769 H ALA 533 H ALA 533 4.093 3.602 1.505 770 HA ALA 533 HA ALA 533 6.100 2.614 3.427 771 HB1 ALA 533 HB1 ALA 533 3.784 0.989 2.368 772 HB2 ALA 533 HB2 ALA 533 3.987 1.557 4.026 773 HB3 ALA 533 HB3 ALA 533 5.107 0.368 3.358 774 H THR 534 H THR 534 7.752 1.379 2.545 775 HA THR 534 HA THR 534 7.790 1.157 -0.408 776 HB THR 534 HB THR 534 10.098 1.686 1.482 777 HG1 THR 534 HG1 THR 534 9.020 3.578 1.053 778 HG21 THR 534 HG21 THR 534 11.497 1.841 -0.544 779 HG22 THR 534 HG22 THR 534 10.133 1.295 -1.519 780 HG23 THR 534 HG23 THR 534 10.851 0.216 -0.321 781 H PHE 535 H PHE 535 8.196 -0.780 -1.313 782 HA PHE 535 HA PHE 535 9.618 -2.843 0.238 783 HB2 PHE 535 HB2 PHE 535 7.120 -3.220 0.325 784 HB3 PHE 535 HB3 PHE 535 7.154 -3.434 -1.421 785 HD1 PHE 535 HD1 PHE 535 8.270 -4.843 1.803 786 HD2 PHE 535 HD2 PHE 535 7.898 -5.490 -2.394 787 HE1 PHE 535 HE1 PHE 535 8.784 -7.228 2.123 788 HE2 PHE 535 HE2 PHE 535 8.407 -7.874 -2.071 789 HZ PHE 535 HZ PHE 535 8.852 -8.745 0.185 790 H ASP 536 H ASP 536 11.236 -3.774 -0.927 791 HA ASP 536 HA ASP 536 11.450 -2.996 -3.762 792 HB2 ASP 536 HB2 ASP 536 13.218 -2.180 -2.289 793 HB3 ASP 536 HB3 ASP 536 13.580 -3.820 -1.769 794 H VAL 537 H VAL 537 11.239 -4.490 -5.314 795 HA VAL 537 HA VAL 537 11.647 -7.348 -4.645 796 HB VAL 537 HB VAL 537 9.679 -6.203 -6.651 797 HG11 VAL 537 HG11 VAL 537 10.571 -8.416 -7.278 798 HG12 VAL 537 HG12 VAL 537 8.854 -8.479 -6.884 799 HG13 VAL 537 HG13 VAL 537 10.048 -9.057 -5.719 800 HG21 VAL 537 HG21 VAL 537 9.169 -7.456 -3.947 801 HG22 VAL 537 HG22 VAL 537 7.932 -6.963 -5.105 802 HG23 VAL 537 HG23 VAL 537 8.974 -5.751 -4.357 803 H SER 538 H SER 538 12.743 -8.632 -6.120 804 HA SER 538 HA SER 538 13.958 -7.258 -8.445 805 HB2 SER 538 HB2 SER 538 15.619 -7.979 -6.770 806 HB3 SER 538 HB3 SER 538 15.032 -9.637 -6.893 807 HG SER 538 HG SER 538 16.762 -9.534 -8.239 808 H VAL 539 H VAL 539 13.435 -7.959 -10.419 809 HA VAL 539 HA VAL 539 12.058 -10.554 -10.703 810 HB VAL 539 HB VAL 539 12.116 -8.219 -12.637 811 HG11 VAL 539 HG11 VAL 539 11.798 -10.362 -13.766 812 HG12 VAL 539 HG12 VAL 539 10.313 -9.412 -13.803 813 HG13 VAL 539 HG13 VAL 539 10.470 -10.758 -12.673 814 HG21 VAL 539 HG21 VAL 539 10.902 -7.644 -10.601 815 HG22 VAL 539 HG22 VAL 539 9.935 -9.111 -10.743 816 HG23 VAL 539 HG23 VAL 539 9.785 -7.836 -11.953 817 H VAL 540 H VAL 540 13.166 -12.193 -11.581 818 HA VAL 540 HA VAL 540 15.590 -11.592 -13.173 819 HB VAL 540 HB VAL 540 16.482 -13.765 -12.416 820 HG11 VAL 540 HG11 VAL 540 16.944 -13.122 -10.090 821 HG12 VAL 540 HG12 VAL 540 15.636 -11.940 -10.155 822 HG13 VAL 540 HG13 VAL 540 17.057 -11.738 -11.180 823 HG21 VAL 540 HG21 VAL 540 15.369 -14.968 -10.565 824 HG22 VAL 540 HG22 VAL 540 14.393 -14.961 -12.036 825 HG23 VAL 540 HG23 VAL 540 13.987 -13.879 -10.702 826 H LEU 541 H LEU 541 16.188 -13.106 -14.859 827 HA LEU 541 HA LEU 541 13.933 -14.064 -16.406 828 HB2 LEU 541 HB2 LEU 541 16.916 -14.107 -16.889 829 HB3 LEU 541 HB3 LEU 541 15.755 -14.776 -18.020 830 HG LEU 541 HG LEU 541 15.797 -11.875 -17.165 831 HD11 LEU 541 HD11 LEU 541 16.758 -11.420 -19.373 832 HD12 LEU 541 HD12 LEU 541 16.882 -13.153 -19.678 833 HD13 LEU 541 HD13 LEU 541 17.835 -12.414 -18.390 834 HD21 LEU 541 HD21 LEU 541 14.321 -11.569 -19.107 835 HD22 LEU 541 HD22 LEU 541 13.609 -12.641 -17.903 836 HD23 LEU 541 HD23 LEU 541 14.315 -13.313 -19.373 837 H GLU 542 H GLU 542 16.349 -15.444 -14.318 838 HA GLU 542 HA GLU 542 16.270 -18.113 -15.291 839 HB2 GLU 542 HB2 GLU 542 17.341 -18.636 -13.026 840 HB3 GLU 542 HB3 GLU 542 18.198 -17.529 -14.088 841 HG2 GLU 542 HG2 GLU 542 17.412 -15.631 -12.803 842 HG3 GLU 542 HG3 GLU 542 16.450 -16.691 -11.779 Start of MODEL 14 1 H1 MET 435 H1 MET 435 -9.369 18.314 21.363 2 H2 MET 435 H2 MET 435 -7.950 17.392 21.387 3 H3 MET 435 H3 MET 435 -9.452 16.642 21.602 4 HA MET 435 HA MET 435 -10.112 17.165 19.371 5 HB2 MET 435 HB2 MET 435 -7.346 18.377 19.113 6 HB3 MET 435 HB3 MET 435 -8.503 18.183 17.803 7 HG2 MET 435 HG2 MET 435 -8.487 20.468 18.588 8 HG3 MET 435 HG3 MET 435 -10.042 19.712 18.940 9 HE1 MET 435 HE1 MET 435 -9.514 22.185 21.953 10 HE2 MET 435 HE2 MET 435 -10.588 21.710 20.638 11 HE3 MET 435 HE3 MET 435 -9.023 22.438 20.277 12 H GLU 436 H GLU 436 -10.164 15.171 18.511 13 HA GLU 436 HA GLU 436 -7.769 13.474 18.633 14 HB2 GLU 436 HB2 GLU 436 -10.686 12.889 18.156 15 HB3 GLU 436 HB3 GLU 436 -9.451 11.708 17.750 16 HG2 GLU 436 HG2 GLU 436 -10.406 11.244 19.926 17 HG3 GLU 436 HG3 GLU 436 -8.704 11.669 20.071 18 H PHE 437 H PHE 437 -6.587 12.949 16.903 19 HA PHE 437 HA PHE 437 -7.680 13.426 14.206 20 HB2 PHE 437 HB2 PHE 437 -4.874 14.070 15.163 21 HB3 PHE 437 HB3 PHE 437 -5.389 14.120 13.481 22 HD1 PHE 437 HD1 PHE 437 -7.177 15.757 12.802 23 HD2 PHE 437 HD2 PHE 437 -5.268 15.891 16.609 24 HE1 PHE 437 HE1 PHE 437 -7.926 18.081 13.092 25 HE2 PHE 437 HE2 PHE 437 -6.022 18.214 16.906 26 HZ PHE 437 HZ PHE 437 -7.349 19.312 15.147 27 HA PRO 438 HA PRO 438 -6.528 9.246 13.510 28 HB2 PRO 438 HB2 PRO 438 -6.337 9.688 10.645 29 HB3 PRO 438 HB3 PRO 438 -7.607 8.877 11.563 30 HG2 PRO 438 HG2 PRO 438 -7.955 11.270 10.305 31 HG3 PRO 438 HG3 PRO 438 -8.870 10.780 11.742 32 HD2 PRO 438 HD2 PRO 438 -6.500 12.609 11.532 33 HD3 PRO 438 HD3 PRO 438 -7.963 12.762 12.531 34 H ASP 439 H ASP 439 -5.037 7.837 12.254 35 HA ASP 439 HA ASP 439 -2.537 8.960 11.332 36 HB2 ASP 439 HB2 ASP 439 -2.213 8.813 13.792 37 HB3 ASP 439 HB3 ASP 439 -2.599 7.098 13.734 38 H LEU 440 H LEU 440 -3.440 8.008 9.426 39 HA LEU 440 HA LEU 440 -3.941 5.154 9.316 40 HB2 LEU 440 HB2 LEU 440 -3.961 7.235 7.118 41 HB3 LEU 440 HB3 LEU 440 -4.546 5.587 6.972 42 HG LEU 440 HG LEU 440 -5.738 7.652 8.837 43 HD11 LEU 440 HD11 LEU 440 -6.083 8.317 6.519 44 HD12 LEU 440 HD12 LEU 440 -7.594 7.768 7.243 45 HD13 LEU 440 HD13 LEU 440 -6.713 6.713 6.137 46 HD21 LEU 440 HD21 LEU 440 -6.092 5.363 9.594 47 HD22 LEU 440 HD22 LEU 440 -6.706 4.913 8.003 48 HD23 LEU 440 HD23 LEU 440 -7.602 6.055 9.004 49 H THR 441 H THR 441 -2.246 3.804 9.200 50 HA THR 441 HA THR 441 0.013 4.563 7.453 51 HB THR 441 HB THR 441 0.676 4.363 9.821 52 HG1 THR 441 HG1 THR 441 2.427 3.851 8.746 53 HG21 THR 441 HG21 THR 441 -0.917 2.659 10.553 54 HG22 THR 441 HG22 THR 441 0.739 2.157 10.896 55 HG23 THR 441 HG23 THR 441 -0.127 1.466 9.524 56 H VAL 442 H VAL 442 0.951 2.985 6.142 57 HA VAL 442 HA VAL 442 -0.727 0.605 5.647 58 HB VAL 442 HB VAL 442 -0.146 0.805 3.242 59 HG11 VAL 442 HG11 VAL 442 -2.261 1.731 4.085 60 HG12 VAL 442 HG12 VAL 442 -1.643 2.659 2.722 61 HG13 VAL 442 HG13 VAL 442 -1.469 3.281 4.364 62 HG21 VAL 442 HG21 VAL 442 1.067 3.452 4.052 63 HG22 VAL 442 HG22 VAL 442 0.791 2.919 2.394 64 HG23 VAL 442 HG23 VAL 442 1.932 2.052 3.420 65 H GLU 443 H GLU 443 0.331 -1.303 4.995 66 HA GLU 443 HA GLU 443 3.271 -1.370 5.154 67 HB2 GLU 443 HB2 GLU 443 1.443 -3.209 6.729 68 HB3 GLU 443 HB3 GLU 443 3.198 -3.280 6.700 69 HG2 GLU 443 HG2 GLU 443 3.363 -1.158 7.812 70 HG3 GLU 443 HG3 GLU 443 1.622 -0.917 7.711 71 H ILE 444 H ILE 444 4.174 -2.722 3.654 72 HA ILE 444 HA ILE 444 2.330 -4.421 2.084 73 HB ILE 444 HB ILE 444 5.073 -3.416 1.268 74 HG12 ILE 444 HG12 ILE 444 2.328 -2.409 0.444 75 HG13 ILE 444 HG13 ILE 444 3.438 -1.568 1.520 76 HG21 ILE 444 HG21 ILE 444 4.425 -5.496 0.154 77 HG22 ILE 444 HG22 ILE 444 4.410 -4.149 -0.983 78 HG23 ILE 444 HG23 ILE 444 2.892 -4.772 -0.335 79 HD11 ILE 444 HD11 ILE 444 3.950 -2.207 -1.377 80 HD12 ILE 444 HD12 ILE 444 5.045 -1.346 -0.294 81 HD13 ILE 444 HD13 ILE 444 3.487 -0.637 -0.721 82 H LYS 445 H LYS 445 2.701 -6.597 1.815 83 HA LYS 445 HA LYS 445 5.193 -7.768 2.854 84 HB2 LYS 445 HB2 LYS 445 3.400 -7.740 4.641 85 HB3 LYS 445 HB3 LYS 445 2.454 -8.808 3.617 86 HG2 LYS 445 HG2 LYS 445 3.529 -10.157 5.245 87 HG3 LYS 445 HG3 LYS 445 4.353 -10.447 3.711 88 HD2 LYS 445 HD2 LYS 445 6.157 -8.934 4.376 89 HD3 LYS 445 HD3 LYS 445 5.319 -8.575 5.886 90 HE2 LYS 445 HE2 LYS 445 5.511 -10.953 6.525 91 HE3 LYS 445 HE3 LYS 445 6.404 -11.264 5.038 92 HZ1 LYS 445 HZ1 LYS 445 7.897 -10.980 6.894 93 HZ2 LYS 445 HZ2 LYS 445 7.252 -9.454 7.232 94 HZ3 LYS 445 HZ3 LYS 445 8.106 -9.712 5.797 95 H GLY 446 H GLY 446 5.925 -9.488 1.649 96 HA2 GLY 446 HA2 GLY 446 4.503 -11.458 0.367 97 HA3 GLY 446 HA3 GLY 446 4.553 -10.149 -0.800 98 HA PRO 447 HA PRO 447 8.365 -12.800 -1.405 99 HB2 PRO 447 HB2 PRO 447 8.173 -12.979 -4.114 100 HB3 PRO 447 HB3 PRO 447 7.332 -14.080 -3.015 101 HG2 PRO 447 HG2 PRO 447 6.280 -11.653 -4.433 102 HG3 PRO 447 HG3 PRO 447 5.532 -13.253 -4.248 103 HD2 PRO 447 HD2 PRO 447 4.834 -11.141 -2.700 104 HD3 PRO 447 HD3 PRO 447 4.820 -12.809 -2.089 105 H ASP 448 H ASP 448 10.361 -11.964 -1.745 106 HA ASP 448 HA ASP 448 10.611 -9.176 -2.488 107 HB2 ASP 448 HB2 ASP 448 11.835 -10.158 -0.563 108 HB3 ASP 448 HB3 ASP 448 12.740 -11.177 -1.676 109 H VAL 449 H VAL 449 11.793 -12.296 -3.764 110 HA VAL 449 HA VAL 449 12.592 -10.902 -6.250 111 HB VAL 449 HB VAL 449 13.705 -13.497 -5.144 112 HG11 VAL 449 HG11 VAL 449 14.482 -11.924 -7.609 113 HG12 VAL 449 HG12 VAL 449 13.699 -13.503 -7.579 114 HG13 VAL 449 HG13 VAL 449 15.347 -13.326 -6.978 115 HG21 VAL 449 HG21 VAL 449 14.953 -10.746 -5.322 116 HG22 VAL 449 HG22 VAL 449 15.790 -12.217 -4.824 117 HG23 VAL 449 HG23 VAL 449 14.467 -11.584 -3.847 118 H VAL 450 H VAL 450 11.704 -11.533 -8.143 119 HA VAL 450 HA VAL 450 10.174 -14.047 -8.251 120 HB VAL 450 HB VAL 450 8.335 -12.936 -9.455 121 HG11 VAL 450 HG11 VAL 450 8.119 -13.289 -7.054 122 HG12 VAL 450 HG12 VAL 450 7.317 -11.791 -7.532 123 HG13 VAL 450 HG13 VAL 450 8.891 -11.734 -6.738 124 HG21 VAL 450 HG21 VAL 450 9.785 -10.373 -8.775 125 HG22 VAL 450 HG22 VAL 450 8.157 -10.476 -9.450 126 HG23 VAL 450 HG23 VAL 450 9.540 -11.040 -10.388 127 H GLY 451 H GLY 451 9.635 -14.710 -10.492 128 HA2 GLY 451 HA2 GLY 451 11.864 -14.075 -12.303 129 HA3 GLY 451 HA3 GLY 451 10.824 -15.485 -12.399 130 H VAL 452 H VAL 452 11.404 -14.033 -14.656 131 HA VAL 452 HA VAL 452 9.467 -12.040 -15.255 132 HB VAL 452 HB VAL 452 11.636 -12.270 -16.445 133 HG11 VAL 452 HG11 VAL 452 10.344 -14.652 -17.776 134 HG12 VAL 452 HG12 VAL 452 11.728 -14.685 -16.683 135 HG13 VAL 452 HG13 VAL 452 11.869 -13.903 -18.256 136 HG21 VAL 452 HG21 VAL 452 9.869 -10.919 -17.411 137 HG22 VAL 452 HG22 VAL 452 9.185 -12.335 -18.206 138 HG23 VAL 452 HG23 VAL 452 10.773 -11.735 -18.687 139 H ASN 453 H ASN 453 7.491 -12.163 -16.221 140 HA ASN 453 HA ASN 453 5.471 -12.977 -16.832 141 HB2 ASN 453 HB2 ASN 453 7.091 -15.339 -17.809 142 HB3 ASN 453 HB3 ASN 453 5.376 -15.109 -18.133 143 HD21 ASN 453 HD21 ASN 453 8.581 -14.121 -18.920 144 HD22 ASN 453 HD22 ASN 453 8.154 -13.088 -20.239 145 H LYS 454 H LYS 454 6.863 -13.838 -14.183 146 HA LYS 454 HA LYS 454 5.157 -16.121 -13.498 147 HB2 LYS 454 HB2 LYS 454 7.404 -14.741 -12.026 148 HB3 LYS 454 HB3 LYS 454 6.394 -15.970 -11.276 149 HG2 LYS 454 HG2 LYS 454 8.099 -16.369 -13.735 150 HG3 LYS 454 HG3 LYS 454 8.509 -16.890 -12.098 151 HD2 LYS 454 HD2 LYS 454 6.144 -17.837 -13.732 152 HD3 LYS 454 HD3 LYS 454 7.622 -18.749 -13.415 153 HE2 LYS 454 HE2 LYS 454 7.118 -18.728 -11.015 154 HE3 LYS 454 HE3 LYS 454 5.646 -17.808 -11.327 155 HZ1 LYS 454 HZ1 LYS 454 6.213 -20.538 -12.349 156 HZ2 LYS 454 HZ2 LYS 454 4.788 -19.661 -12.595 157 HZ3 LYS 454 HZ3 LYS 454 5.208 -20.172 -11.040 158 H LEU 455 H LEU 455 3.555 -16.068 -11.955 159 HA LEU 455 HA LEU 455 2.331 -13.495 -11.474 160 HB2 LEU 455 HB2 LEU 455 1.019 -15.513 -12.075 161 HB3 LEU 455 HB3 LEU 455 1.490 -16.253 -10.558 162 HG LEU 455 HG LEU 455 0.293 -14.477 -9.323 163 HD11 LEU 455 HD11 LEU 455 -1.220 -12.973 -10.565 164 HD12 LEU 455 HD12 LEU 455 -0.510 -13.536 -12.077 165 HD13 LEU 455 HD13 LEU 455 0.481 -12.664 -10.907 166 HD21 LEU 455 HD21 LEU 455 -1.384 -15.913 -11.390 167 HD22 LEU 455 HD22 LEU 455 -1.986 -15.200 -9.892 168 HD23 LEU 455 HD23 LEU 455 -0.866 -16.559 -9.834 169 H ALA 456 H ALA 456 2.700 -12.258 -9.735 170 HA ALA 456 HA ALA 456 3.626 -13.543 -7.236 171 HB1 ALA 456 HB1 ALA 456 5.360 -12.149 -8.234 172 HB2 ALA 456 HB2 ALA 456 4.796 -11.452 -6.717 173 HB3 ALA 456 HB3 ALA 456 4.260 -10.769 -8.253 174 H GLU 457 H GLU 457 2.453 -13.216 -5.431 175 HA GLU 457 HA GLU 457 0.301 -11.190 -5.500 176 HB2 GLU 457 HB2 GLU 457 0.275 -14.047 -4.589 177 HB3 GLU 457 HB3 GLU 457 -0.804 -12.893 -3.817 178 HG2 GLU 457 HG2 GLU 457 -1.915 -12.421 -5.853 179 HG3 GLU 457 HG3 GLU 457 -0.701 -13.285 -6.800 180 H TYR 458 H TYR 458 0.166 -9.799 -3.880 181 HA TYR 458 HA TYR 458 1.830 -10.222 -1.468 182 HB2 TYR 458 HB2 TYR 458 1.309 -7.610 -2.920 183 HB3 TYR 458 HB3 TYR 458 2.219 -7.780 -1.424 184 HD1 TYR 458 HD1 TYR 458 2.219 -8.902 -4.992 185 HD2 TYR 458 HD2 TYR 458 4.540 -8.071 -1.518 186 HE1 TYR 458 HE1 TYR 458 4.278 -9.204 -6.300 187 HE2 TYR 458 HE2 TYR 458 6.601 -8.376 -2.820 188 HH TYR 458 HH TYR 458 7.398 -9.374 -4.798 189 H GLU 459 H GLU 459 1.062 -9.131 0.475 190 HA GLU 459 HA GLU 459 -1.816 -8.463 0.428 191 HB2 GLU 459 HB2 GLU 459 -0.229 -9.808 2.631 192 HB3 GLU 459 HB3 GLU 459 -1.863 -9.199 2.836 193 HG2 GLU 459 HG2 GLU 459 -2.326 -11.383 2.426 194 HG3 GLU 459 HG3 GLU 459 -2.349 -10.779 0.772 195 H VAL 460 H VAL 460 -2.337 -6.478 1.071 196 HA VAL 460 HA VAL 460 -0.275 -4.766 2.270 197 HB VAL 460 HB VAL 460 -2.907 -3.953 1.008 198 HG11 VAL 460 HG11 VAL 460 -1.948 -1.694 0.992 199 HG12 VAL 460 HG12 VAL 460 -0.510 -2.295 1.818 200 HG13 VAL 460 HG13 VAL 460 -2.074 -2.327 2.634 201 HG21 VAL 460 HG21 VAL 460 -1.440 -4.974 -0.648 202 HG22 VAL 460 HG22 VAL 460 -0.118 -3.915 -0.157 203 HG23 VAL 460 HG23 VAL 460 -1.560 -3.235 -0.915 204 H HIS 461 H HIS 461 -0.365 -4.360 4.369 205 HA HIS 461 HA HIS 461 -2.862 -4.676 5.877 206 HB2 HIS 461 HB2 HIS 461 -0.018 -4.221 6.820 207 HB3 HIS 461 HB3 HIS 461 -1.401 -4.478 7.873 208 HD1 HIS 461 HD1 HIS 461 -1.173 -6.728 8.840 209 HD2 HIS 461 HD2 HIS 461 -0.097 -6.678 4.825 210 HE1 HIS 461 HE1 HIS 461 -0.634 -9.109 8.256 211 HE2 HIS 461 HE2 HIS 461 0.153 -9.029 5.871 212 H VAL 462 H VAL 462 -4.102 -2.868 5.932 213 HA VAL 462 HA VAL 462 -2.740 -0.271 6.330 214 HB VAL 462 HB VAL 462 -4.627 0.844 5.279 215 HG11 VAL 462 HG11 VAL 462 -2.806 0.033 3.839 216 HG12 VAL 462 HG12 VAL 462 -4.350 0.051 2.989 217 HG13 VAL 462 HG13 VAL 462 -3.687 -1.472 3.581 218 HG21 VAL 462 HG21 VAL 462 -6.448 -0.628 5.953 219 HG22 VAL 462 HG22 VAL 462 -5.819 -1.913 4.919 220 HG23 VAL 462 HG23 VAL 462 -6.447 -0.429 4.201 221 H LYS 463 H LYS 463 -3.085 0.729 8.232 222 HA LYS 463 HA LYS 463 -5.409 -0.052 9.855 223 HB2 LYS 463 HB2 LYS 463 -3.822 -0.271 11.843 224 HB3 LYS 463 HB3 LYS 463 -3.840 -1.585 10.675 225 HG2 LYS 463 HG2 LYS 463 -1.755 -1.043 9.825 226 HG3 LYS 463 HG3 LYS 463 -1.836 0.620 10.402 227 HD2 LYS 463 HD2 LYS 463 -0.250 -0.571 11.764 228 HD3 LYS 463 HD3 LYS 463 -1.686 -0.245 12.732 229 HE2 LYS 463 HE2 LYS 463 -0.906 -2.503 13.139 230 HE3 LYS 463 HE3 LYS 463 -2.468 -2.542 12.325 231 HZ1 LYS 463 HZ1 LYS 463 -0.731 -4.121 11.487 232 HZ2 LYS 463 HZ2 LYS 463 0.097 -2.790 10.859 233 HZ3 LYS 463 HZ3 LYS 463 -1.462 -3.162 10.311 234 H ASN 464 H ASN 464 -6.066 1.380 11.420 235 HA ASN 464 HA ASN 464 -4.984 4.114 11.213 236 HB2 ASN 464 HB2 ASN 464 -7.415 3.706 10.801 237 HB3 ASN 464 HB3 ASN 464 -7.574 3.107 12.445 238 HD21 ASN 464 HD21 ASN 464 -8.918 5.307 11.154 239 HD22 ASN 464 HD22 ASN 464 -8.578 6.709 12.100 240 H LEU 465 H LEU 465 -3.817 4.960 12.894 241 HA LEU 465 HA LEU 465 -3.838 3.472 15.451 242 HB2 LEU 465 HB2 LEU 465 -1.594 5.096 14.249 243 HB3 LEU 465 HB3 LEU 465 -1.525 4.210 15.763 244 HG LEU 465 HG LEU 465 -1.835 3.001 13.008 245 HD11 LEU 465 HD11 LEU 465 0.415 3.846 13.437 246 HD12 LEU 465 HD12 LEU 465 0.391 2.085 13.380 247 HD13 LEU 465 HD13 LEU 465 0.486 2.915 14.935 248 HD21 LEU 465 HD21 LEU 465 -1.573 0.836 14.157 249 HD22 LEU 465 HD22 LEU 465 -3.051 1.673 14.627 250 HD23 LEU 465 HD23 LEU 465 -1.659 1.667 15.711 251 H GLY 466 H GLY 466 -4.905 6.310 14.147 252 HA2 GLY 466 HA2 GLY 466 -4.143 8.184 16.180 253 HA3 GLY 466 HA3 GLY 466 -5.409 8.408 14.985 254 H GLY 467 H GLY 467 -6.643 5.797 15.972 255 HA2 GLY 467 HA2 GLY 467 -7.997 5.054 17.732 256 HA3 GLY 467 HA3 GLY 467 -7.579 6.494 18.645 257 H ILE 468 H ILE 468 -8.611 7.071 15.431 258 HA ILE 468 HA ILE 468 -11.404 7.511 16.254 259 HB ILE 468 HB ILE 468 -10.339 9.676 16.476 260 HG12 ILE 468 HG12 ILE 468 -11.984 9.554 13.927 261 HG13 ILE 468 HG13 ILE 468 -12.627 9.650 15.564 262 HG21 ILE 468 HG21 ILE 468 -9.434 9.370 13.616 263 HG22 ILE 468 HG22 ILE 468 -8.404 9.286 15.045 264 HG23 ILE 468 HG23 ILE 468 -9.211 10.797 14.629 265 HD11 ILE 468 HD11 ILE 468 -11.585 11.857 15.825 266 HD12 ILE 468 HD12 ILE 468 -12.727 11.804 14.482 267 HD13 ILE 468 HD13 ILE 468 -10.993 11.759 14.165 268 H GLY 469 H GLY 469 -12.940 7.158 14.650 269 HA2 GLY 469 HA2 GLY 469 -12.124 5.432 12.520 270 HA3 GLY 469 HA3 GLY 469 -13.756 5.987 12.835 271 H VAL 470 H VAL 470 -11.923 5.740 10.365 272 HA VAL 470 HA VAL 470 -12.557 8.392 9.239 273 HB VAL 470 HB VAL 470 -10.027 6.822 8.677 274 HG11 VAL 470 HG11 VAL 470 -10.922 9.530 7.677 275 HG12 VAL 470 HG12 VAL 470 -10.783 8.054 6.721 276 HG13 VAL 470 HG13 VAL 470 -9.337 8.806 7.395 277 HG21 VAL 470 HG21 VAL 470 -10.402 9.397 10.217 278 HG22 VAL 470 HG22 VAL 470 -8.853 8.651 9.815 279 HG23 VAL 470 HG23 VAL 470 -9.972 7.828 10.899 280 HA PRO 471 HA PRO 471 -14.294 5.573 6.100 281 HB2 PRO 471 HB2 PRO 471 -16.272 7.161 5.277 282 HB3 PRO 471 HB3 PRO 471 -16.339 6.384 6.864 283 HG2 PRO 471 HG2 PRO 471 -15.628 9.207 6.168 284 HG3 PRO 471 HG3 PRO 471 -16.604 8.599 7.517 285 HD2 PRO 471 HD2 PRO 471 -13.906 9.311 7.664 286 HD3 PRO 471 HD3 PRO 471 -14.759 8.284 8.834 287 H SER 472 H SER 472 -12.733 8.575 5.822 288 HA SER 472 HA SER 472 -13.027 8.938 2.972 289 HB2 SER 472 HB2 SER 472 -11.517 10.872 3.296 290 HB3 SER 472 HB3 SER 472 -12.884 10.898 4.408 291 HG SER 472 HG SER 472 -10.310 10.980 4.992 292 H THR 473 H THR 473 -11.554 6.486 4.135 293 HA THR 473 HA THR 473 -8.738 7.065 3.673 294 HB THR 473 HB THR 473 -10.091 4.527 4.635 295 HG1 THR 473 HG1 THR 473 -10.246 5.636 6.425 296 HG21 THR 473 HG21 THR 473 -7.170 5.305 4.721 297 HG22 THR 473 HG22 THR 473 -7.877 4.086 3.660 298 HG23 THR 473 HG23 THR 473 -7.875 3.841 5.407 299 H LYS 474 H LYS 474 -8.092 6.996 1.621 300 HA LYS 474 HA LYS 474 -8.866 4.730 -0.109 301 HB2 LYS 474 HB2 LYS 474 -7.821 7.488 -0.785 302 HB3 LYS 474 HB3 LYS 474 -8.005 6.205 -1.972 303 HG2 LYS 474 HG2 LYS 474 -10.401 6.153 -1.595 304 HG3 LYS 474 HG3 LYS 474 -10.249 7.375 -0.330 305 HD2 LYS 474 HD2 LYS 474 -9.512 9.022 -1.928 306 HD3 LYS 474 HD3 LYS 474 -9.435 7.810 -3.208 307 HE2 LYS 474 HE2 LYS 474 -11.955 8.660 -1.772 308 HE3 LYS 474 HE3 LYS 474 -11.448 9.240 -3.359 309 HZ1 LYS 474 HZ1 LYS 474 -13.053 7.452 -3.544 310 HZ2 LYS 474 HZ2 LYS 474 -12.045 6.413 -2.672 311 HZ3 LYS 474 HZ3 LYS 474 -11.567 6.978 -4.190 312 H VAL 475 H VAL 475 -7.342 3.273 -0.695 313 HA VAL 475 HA VAL 475 -4.504 3.858 -0.090 314 HB VAL 475 HB VAL 475 -5.835 1.149 -0.342 315 HG11 VAL 475 HG11 VAL 475 -3.065 1.896 0.614 316 HG12 VAL 475 HG12 VAL 475 -3.458 1.121 -0.921 317 HG13 VAL 475 HG13 VAL 475 -3.749 0.269 0.595 318 HG21 VAL 475 HG21 VAL 475 -5.011 2.662 2.145 319 HG22 VAL 475 HG22 VAL 475 -5.610 1.003 2.106 320 HG23 VAL 475 HG23 VAL 475 -6.664 2.333 1.626 321 H ARG 476 H ARG 476 -3.067 3.879 -1.760 322 HA ARG 476 HA ARG 476 -3.897 2.685 -4.339 323 HB2 ARG 476 HB2 ARG 476 -2.286 5.220 -3.943 324 HB3 ARG 476 HB3 ARG 476 -2.650 4.477 -5.494 325 HG2 ARG 476 HG2 ARG 476 -5.061 4.850 -5.068 326 HG3 ARG 476 HG3 ARG 476 -4.637 5.675 -3.567 327 HD2 ARG 476 HD2 ARG 476 -3.283 7.285 -4.899 328 HD3 ARG 476 HD3 ARG 476 -3.866 6.505 -6.369 329 HE ARG 476 HE ARG 476 -6.144 7.180 -5.059 330 HH11 ARG 476 HH11 ARG 476 -3.358 8.916 -6.091 331 HH12 ARG 476 HH12 ARG 476 -4.198 10.420 -6.219 332 HH21 ARG 476 HH21 ARG 476 -7.228 9.105 -5.234 333 HH22 ARG 476 HH22 ARG 476 -6.376 10.534 -5.717 334 H VAL 477 H VAL 477 -2.286 1.735 -5.614 335 HA VAL 477 HA VAL 477 0.327 1.299 -4.292 336 HB VAL 477 HB VAL 477 -1.265 -0.671 -5.962 337 HG11 VAL 477 HG11 VAL 477 1.100 -0.912 -6.458 338 HG12 VAL 477 HG12 VAL 477 0.564 -2.266 -5.465 339 HG13 VAL 477 HG13 VAL 477 1.488 -0.951 -4.738 340 HG21 VAL 477 HG21 VAL 477 -1.341 -2.008 -3.911 341 HG22 VAL 477 HG22 VAL 477 -2.090 -0.429 -3.668 342 HG23 VAL 477 HG23 VAL 477 -0.470 -0.741 -3.045 343 H TYR 478 H TYR 478 1.975 2.123 -5.406 344 HA TYR 478 HA TYR 478 1.753 2.413 -8.343 345 HB2 TYR 478 HB2 TYR 478 3.500 3.994 -6.432 346 HB3 TYR 478 HB3 TYR 478 3.360 4.257 -8.165 347 HD1 TYR 478 HD1 TYR 478 1.709 4.671 -4.908 348 HD2 TYR 478 HD2 TYR 478 1.439 5.426 -9.092 349 HE1 TYR 478 HE1 TYR 478 -0.088 6.290 -4.495 350 HE2 TYR 478 HE2 TYR 478 -0.364 7.049 -8.683 351 HH TYR 478 HH TYR 478 -1.079 8.262 -5.606 352 H ILE 479 H ILE 479 3.284 1.469 -9.615 353 HA ILE 479 HA ILE 479 5.630 0.242 -8.297 354 HB ILE 479 HB ILE 479 4.309 -0.569 -10.905 355 HG12 ILE 479 HG12 ILE 479 4.346 -1.957 -8.204 356 HG13 ILE 479 HG13 ILE 479 2.957 -1.149 -8.919 357 HG21 ILE 479 HG21 ILE 479 6.715 -0.964 -10.951 358 HG22 ILE 479 HG22 ILE 479 5.845 -2.494 -10.842 359 HG23 ILE 479 HG23 ILE 479 6.621 -1.819 -9.410 360 HD11 ILE 479 HD11 ILE 479 2.782 -3.548 -9.164 361 HD12 ILE 479 HD12 ILE 479 4.335 -3.598 -9.999 362 HD13 ILE 479 HD13 ILE 479 2.958 -2.782 -10.743 363 H ASN 480 H ASN 480 7.417 1.413 -8.601 364 HA ASN 480 HA ASN 480 8.931 2.896 -9.447 365 HB2 ASN 480 HB2 ASN 480 8.070 1.591 -12.043 366 HB3 ASN 480 HB3 ASN 480 9.499 2.608 -11.860 367 HD21 ASN 480 HD21 ASN 480 10.898 0.945 -12.415 368 HD22 ASN 480 HD22 ASN 480 11.223 -0.375 -11.353 369 H GLY 481 H GLY 481 6.287 3.943 -9.054 370 HA2 GLY 481 HA2 GLY 481 5.587 6.185 -9.287 371 HA3 GLY 481 HA3 GLY 481 6.491 6.298 -10.787 372 H THR 482 H THR 482 5.116 3.607 -11.519 373 HA THR 482 HA THR 482 2.866 4.852 -12.892 374 HB THR 482 HB THR 482 3.940 2.021 -13.075 375 HG1 THR 482 HG1 THR 482 5.477 3.289 -13.972 376 HG21 THR 482 HG21 THR 482 2.653 1.908 -15.185 377 HG22 THR 482 HG22 THR 482 1.950 3.486 -14.826 378 HG23 THR 482 HG23 THR 482 1.610 2.107 -13.778 379 H LEU 483 H LEU 483 0.793 4.746 -12.191 380 HA LEU 483 HA LEU 483 0.048 3.451 -9.804 381 HB2 LEU 483 HB2 LEU 483 -1.134 5.408 -10.644 382 HB3 LEU 483 HB3 LEU 483 -1.682 4.506 -12.047 383 HG LEU 483 HG LEU 483 -2.999 3.021 -10.544 384 HD11 LEU 483 HD11 LEU 483 -2.157 4.954 -8.384 385 HD12 LEU 483 HD12 LEU 483 -1.680 3.260 -8.516 386 HD13 LEU 483 HD13 LEU 483 -3.367 3.679 -8.219 387 HD21 LEU 483 HD21 LEU 483 -4.759 4.635 -10.032 388 HD22 LEU 483 HD22 LEU 483 -4.066 4.929 -11.627 389 HD23 LEU 483 HD23 LEU 483 -3.623 5.964 -10.268 390 H TYR 484 H TYR 484 -0.327 1.380 -9.419 391 HA TYR 484 HA TYR 484 -0.886 -0.455 -11.625 392 HB2 TYR 484 HB2 TYR 484 0.851 -1.320 -10.328 393 HB3 TYR 484 HB3 TYR 484 0.129 -0.780 -8.816 394 HD1 TYR 484 HD1 TYR 484 -0.288 -3.279 -11.563 395 HD2 TYR 484 HD2 TYR 484 -1.167 -2.235 -7.529 396 HE1 TYR 484 HE1 TYR 484 -1.291 -5.499 -11.205 397 HE2 TYR 484 HE2 TYR 484 -2.173 -4.436 -7.173 398 HH TYR 484 HH TYR 484 -1.879 -7.003 -9.419 399 H LYS 485 H LYS 485 -2.341 0.549 -8.515 400 HA LYS 485 HA LYS 485 -4.988 -0.082 -9.398 401 HB2 LYS 485 HB2 LYS 485 -3.979 -2.357 -8.886 402 HB3 LYS 485 HB3 LYS 485 -3.914 -1.864 -7.203 403 HG2 LYS 485 HG2 LYS 485 -6.049 -2.434 -6.886 404 HG3 LYS 485 HG3 LYS 485 -6.572 -1.448 -8.254 405 HD2 LYS 485 HD2 LYS 485 -7.189 -3.813 -8.550 406 HD3 LYS 485 HD3 LYS 485 -6.062 -3.273 -9.794 407 HE2 LYS 485 HE2 LYS 485 -4.232 -4.239 -8.224 408 HE3 LYS 485 HE3 LYS 485 -5.567 -5.093 -7.451 409 HZ1 LYS 485 HZ1 LYS 485 -4.485 -6.427 -9.172 410 HZ2 LYS 485 HZ2 LYS 485 -4.864 -5.256 -10.335 411 HZ3 LYS 485 HZ3 LYS 485 -6.101 -6.115 -9.565 412 H ASN 486 H ASN 486 -6.645 0.383 -7.743 413 HA ASN 486 HA ASN 486 -5.688 1.773 -5.349 414 HB2 ASN 486 HB2 ASN 486 -7.094 3.749 -5.824 415 HB3 ASN 486 HB3 ASN 486 -5.826 3.530 -7.024 416 HD21 ASN 486 HD21 ASN 486 -6.401 2.817 -9.110 417 HD22 ASN 486 HD22 ASN 486 -8.017 2.978 -9.694 418 H TRP 487 H TRP 487 -7.103 1.795 -3.634 419 HA TRP 487 HA TRP 487 -9.778 0.591 -3.972 420 HB2 TRP 487 HB2 TRP 487 -7.777 -0.051 -1.786 421 HB3 TRP 487 HB3 TRP 487 -9.447 -0.597 -1.803 422 HD1 TRP 487 HD1 TRP 487 -10.086 -2.498 -3.644 423 HE1 TRP 487 HE1 TRP 487 -8.621 -4.300 -4.753 424 HE3 TRP 487 HE3 TRP 487 -5.477 -0.504 -2.694 425 HZ2 TRP 487 HZ2 TRP 487 -5.881 -4.814 -5.166 426 HZ3 TRP 487 HZ3 TRP 487 -3.487 -1.719 -3.475 427 HH2 TRP 487 HH2 TRP 487 -3.683 -3.826 -4.686 428 H THR 488 H THR 488 -11.388 1.386 -2.576 429 HA THR 488 HA THR 488 -10.572 3.465 -0.623 430 HB THR 488 HB THR 488 -13.220 3.233 -2.094 431 HG1 THR 488 HG1 THR 488 -11.495 4.177 -3.317 432 HG21 THR 488 HG21 THR 488 -13.594 4.014 0.186 433 HG22 THR 488 HG22 THR 488 -13.810 5.342 -0.955 434 HG23 THR 488 HG23 THR 488 -12.330 5.229 -0.002 435 H VAL 489 H VAL 489 -10.827 2.883 1.451 436 HA VAL 489 HA VAL 489 -12.875 0.881 2.158 437 HB VAL 489 HB VAL 489 -11.286 -0.269 3.655 438 HG11 VAL 489 HG11 VAL 489 -9.993 -1.454 1.944 439 HG12 VAL 489 HG12 VAL 489 -10.342 -0.171 0.785 440 HG13 VAL 489 HG13 VAL 489 -11.652 -1.170 1.415 441 HG21 VAL 489 HG21 VAL 489 -9.206 1.533 2.396 442 HG22 VAL 489 HG22 VAL 489 -8.859 0.145 3.431 443 HG23 VAL 489 HG23 VAL 489 -9.719 1.539 4.084 444 H SER 490 H SER 490 -13.030 0.663 4.620 445 HA SER 490 HA SER 490 -12.796 3.326 5.882 446 HB2 SER 490 HB2 SER 490 -14.671 2.760 7.290 447 HB3 SER 490 HB3 SER 490 -15.131 2.393 5.627 448 HG SER 490 HG SER 490 -15.040 0.272 6.043 449 H LEU 491 H LEU 491 -11.656 3.542 7.742 450 HA LEU 491 HA LEU 491 -10.858 1.090 9.183 451 HB2 LEU 491 HB2 LEU 491 -9.182 3.527 8.576 452 HB3 LEU 491 HB3 LEU 491 -8.752 2.365 9.816 453 HG LEU 491 HG LEU 491 -9.008 1.770 6.861 454 HD11 LEU 491 HD11 LEU 491 -6.588 1.487 6.928 455 HD12 LEU 491 HD12 LEU 491 -6.570 1.949 8.631 456 HD13 LEU 491 HD13 LEU 491 -7.042 3.124 7.402 457 HD21 LEU 491 HD21 LEU 491 -9.637 -0.158 8.206 458 HD22 LEU 491 HD22 LEU 491 -8.161 0.003 9.162 459 HD23 LEU 491 HD23 LEU 491 -8.065 -0.424 7.453 460 H GLY 492 H GLY 492 -11.727 1.075 11.145 461 HA2 GLY 492 HA2 GLY 492 -12.658 3.520 12.404 462 HA3 GLY 492 HA3 GLY 492 -12.852 1.887 13.018 463 HA PRO 493 HA PRO 493 -9.638 4.231 15.574 464 HB2 PRO 493 HB2 PRO 493 -10.715 3.313 17.962 465 HB3 PRO 493 HB3 PRO 493 -11.073 4.880 17.227 466 HG2 PRO 493 HG2 PRO 493 -12.643 2.332 17.113 467 HG3 PRO 493 HG3 PRO 493 -13.219 3.999 17.309 468 HD2 PRO 493 HD2 PRO 493 -13.382 2.741 14.945 469 HD3 PRO 493 HD3 PRO 493 -13.000 4.476 15.037 470 H LYS 494 H LYS 494 -7.926 2.925 15.084 471 HA LYS 494 HA LYS 494 -6.314 1.373 15.484 472 HB2 LYS 494 HB2 LYS 494 -8.164 0.377 17.662 473 HB3 LYS 494 HB3 LYS 494 -6.495 -0.126 17.440 474 HG2 LYS 494 HG2 LYS 494 -7.366 2.706 18.008 475 HG3 LYS 494 HG3 LYS 494 -6.796 1.562 19.227 476 HD2 LYS 494 HD2 LYS 494 -4.634 1.413 18.068 477 HD3 LYS 494 HD3 LYS 494 -5.207 2.551 16.846 478 HE2 LYS 494 HE2 LYS 494 -3.796 3.648 18.532 479 HE3 LYS 494 HE3 LYS 494 -5.440 4.286 18.532 480 HZ1 LYS 494 HZ1 LYS 494 -4.442 2.233 20.433 481 HZ2 LYS 494 HZ2 LYS 494 -5.945 3.007 20.478 482 HZ3 LYS 494 HZ3 LYS 494 -4.531 3.887 20.776 483 H GLU 495 H GLU 495 -8.526 0.931 13.586 484 HA GLU 495 HA GLU 495 -8.767 -1.999 13.553 485 HB2 GLU 495 HB2 GLU 495 -10.824 -0.703 13.180 486 HB3 GLU 495 HB3 GLU 495 -10.079 0.091 11.796 487 HG2 GLU 495 HG2 GLU 495 -9.903 -2.080 10.656 488 HG3 GLU 495 HG3 GLU 495 -10.680 -2.860 12.028 489 H GLU 496 H GLU 496 -8.252 -3.227 11.658 490 HA GLU 496 HA GLU 496 -6.433 -1.948 9.720 491 HB2 GLU 496 HB2 GLU 496 -5.062 -3.210 11.299 492 HB3 GLU 496 HB3 GLU 496 -6.054 -4.642 11.059 493 HG2 GLU 496 HG2 GLU 496 -5.334 -4.674 8.675 494 HG3 GLU 496 HG3 GLU 496 -4.251 -3.331 9.025 495 H LYS 497 H LYS 497 -6.647 -2.585 7.610 496 HA LYS 497 HA LYS 497 -8.558 -4.749 6.956 497 HB2 LYS 497 HB2 LYS 497 -7.869 -2.226 5.426 498 HB3 LYS 497 HB3 LYS 497 -8.769 -3.558 4.723 499 HG2 LYS 497 HG2 LYS 497 -9.679 -2.051 7.169 500 HG3 LYS 497 HG3 LYS 497 -10.139 -1.618 5.523 501 HD2 LYS 497 HD2 LYS 497 -10.999 -3.994 5.283 502 HD3 LYS 497 HD3 LYS 497 -10.784 -4.150 7.027 503 HE2 LYS 497 HE2 LYS 497 -12.506 -2.091 5.644 504 HE3 LYS 497 HE3 LYS 497 -13.095 -3.559 6.418 505 HZ1 LYS 497 HZ1 LYS 497 -12.170 -2.716 8.524 506 HZ2 LYS 497 HZ2 LYS 497 -13.372 -1.713 7.892 507 HZ3 LYS 497 HZ3 LYS 497 -11.748 -1.270 7.753 508 H VAL 498 H VAL 498 -7.931 -6.248 5.348 509 HA VAL 498 HA VAL 498 -5.097 -6.100 4.510 510 HB VAL 498 HB VAL 498 -6.750 -8.598 4.955 511 HG11 VAL 498 HG11 VAL 498 -4.634 -9.805 4.622 512 HG12 VAL 498 HG12 VAL 498 -3.828 -8.282 4.241 513 HG13 VAL 498 HG13 VAL 498 -5.100 -8.897 3.184 514 HG21 VAL 498 HG21 VAL 498 -4.513 -7.409 6.609 515 HG22 VAL 498 HG22 VAL 498 -5.241 -8.996 6.872 516 HG23 VAL 498 HG23 VAL 498 -6.211 -7.538 7.073 517 H LEU 499 H LEU 499 -4.938 -5.585 2.425 518 HA LEU 499 HA LEU 499 -7.025 -6.503 0.540 519 HB2 LEU 499 HB2 LEU 499 -5.094 -4.200 0.193 520 HB3 LEU 499 HB3 LEU 499 -6.443 -4.605 -0.853 521 HG LEU 499 HG LEU 499 -6.683 -3.650 2.009 522 HD11 LEU 499 HD11 LEU 499 -7.546 -1.578 1.061 523 HD12 LEU 499 HD12 LEU 499 -7.261 -2.187 -0.569 524 HD13 LEU 499 HD13 LEU 499 -5.898 -1.883 0.511 525 HD21 LEU 499 HD21 LEU 499 -8.513 -5.141 1.394 526 HD22 LEU 499 HD22 LEU 499 -8.823 -4.189 -0.059 527 HD23 LEU 499 HD23 LEU 499 -9.085 -3.480 1.537 528 H THR 500 H THR 500 -6.441 -7.573 -1.354 529 HA THR 500 HA THR 500 -3.591 -8.360 -1.554 530 HB THR 500 HB THR 500 -4.473 -10.376 -2.828 531 HG1 THR 500 HG1 THR 500 -6.544 -10.056 -3.291 532 HG21 THR 500 HG21 THR 500 -3.652 -10.592 -0.549 533 HG22 THR 500 HG22 THR 500 -5.056 -11.629 -0.795 534 HG23 THR 500 HG23 THR 500 -5.227 -10.111 0.088 535 H PHE 501 H PHE 501 -2.611 -8.553 -3.580 536 HA PHE 501 HA PHE 501 -4.146 -7.961 -5.970 537 HB2 PHE 501 HB2 PHE 501 -2.717 -6.143 -6.736 538 HB3 PHE 501 HB3 PHE 501 -3.469 -5.721 -5.206 539 HD1 PHE 501 HD1 PHE 501 -2.129 -5.508 -3.176 540 HD2 PHE 501 HD2 PHE 501 -0.322 -6.472 -6.916 541 HE1 PHE 501 HE1 PHE 501 0.082 -4.923 -2.267 542 HE2 PHE 501 HE2 PHE 501 1.884 -5.896 -6.004 543 HZ PHE 501 HZ PHE 501 2.090 -5.116 -3.676 544 H SER 502 H SER 502 -3.154 -8.629 -7.900 545 HA SER 502 HA SER 502 -0.790 -10.371 -7.536 546 HB2 SER 502 HB2 SER 502 -1.736 -11.849 -9.259 547 HB3 SER 502 HB3 SER 502 -2.865 -11.659 -7.919 548 HG SER 502 HG SER 502 -3.919 -11.446 -9.928 549 H TRP 503 H TRP 503 0.930 -9.909 -8.768 550 HA TRP 503 HA TRP 503 0.558 -8.248 -11.183 551 HB2 TRP 503 HB2 TRP 503 1.424 -6.834 -9.417 552 HB3 TRP 503 HB3 TRP 503 2.685 -7.999 -9.040 553 HD1 TRP 503 HD1 TRP 503 1.691 -6.273 -12.394 554 HE1 TRP 503 HE1 TRP 503 3.829 -5.272 -13.420 555 HE3 TRP 503 HE3 TRP 503 5.019 -7.550 -8.732 556 HZ2 TRP 503 HZ2 TRP 503 6.564 -5.045 -12.758 557 HZ3 TRP 503 HZ3 TRP 503 7.379 -6.899 -9.001 558 HH2 TRP 503 HH2 TRP 503 8.133 -5.673 -10.975 559 H THR 504 H THR 504 1.668 -8.862 -12.986 560 HA THR 504 HA THR 504 3.587 -11.107 -12.730 561 HB THR 504 HB THR 504 1.625 -10.625 -14.994 562 HG1 THR 504 HG1 THR 504 1.512 -12.100 -12.683 563 HG21 THR 504 HG21 THR 504 3.707 -11.575 -15.848 564 HG22 THR 504 HG22 THR 504 2.424 -12.785 -15.878 565 HG23 THR 504 HG23 THR 504 3.657 -12.838 -14.617 566 HA PRO 505 HA PRO 505 6.035 -7.795 -14.697 567 HB2 PRO 505 HB2 PRO 505 8.444 -8.609 -13.810 568 HB3 PRO 505 HB3 PRO 505 7.298 -7.770 -12.758 569 HG2 PRO 505 HG2 PRO 505 7.882 -10.703 -12.962 570 HG3 PRO 505 HG3 PRO 505 7.653 -9.708 -11.511 571 HD2 PRO 505 HD2 PRO 505 5.696 -11.296 -12.592 572 HD3 PRO 505 HD3 PRO 505 5.360 -9.834 -11.643 573 H THR 506 H THR 506 5.950 -8.232 -16.877 574 HA THR 506 HA THR 506 7.195 -10.628 -17.974 575 HB THR 506 HB THR 506 6.387 -9.840 -20.155 576 HG1 THR 506 HG1 THR 506 6.336 -7.694 -20.241 577 HG21 THR 506 HG21 THR 506 3.970 -9.903 -19.687 578 HG22 THR 506 HG22 THR 506 4.296 -9.622 -17.977 579 HG23 THR 506 HG23 THR 506 4.843 -11.113 -18.748 580 H GLN 507 H GLN 507 8.621 -8.075 -16.786 581 HA GLN 507 HA GLN 507 10.816 -8.141 -18.724 582 HB2 GLN 507 HB2 GLN 507 9.561 -6.127 -19.310 583 HB3 GLN 507 HB3 GLN 507 9.599 -5.587 -17.637 584 HG2 GLN 507 HG2 GLN 507 11.224 -4.361 -18.927 585 HG3 GLN 507 HG3 GLN 507 12.048 -5.397 -17.765 586 HE21 GLN 507 HE21 GLN 507 13.960 -5.490 -18.898 587 HE22 GLN 507 HE22 GLN 507 14.119 -6.314 -20.409 588 H GLU 508 H GLU 508 12.777 -8.269 -17.770 589 HA GLU 508 HA GLU 508 12.918 -8.620 -14.938 590 HB2 GLU 508 HB2 GLU 508 15.362 -9.030 -15.379 591 HB3 GLU 508 HB3 GLU 508 14.255 -10.066 -16.260 592 HG2 GLU 508 HG2 GLU 508 15.944 -9.502 -17.787 593 HG3 GLU 508 HG3 GLU 508 14.557 -8.513 -18.235 594 H GLY 509 H GLY 509 14.191 -7.485 -13.412 595 HA2 GLY 509 HA2 GLY 509 15.875 -5.467 -13.467 596 HA3 GLY 509 HA3 GLY 509 14.439 -4.618 -14.014 597 H MET 510 H MET 510 15.182 -3.390 -11.990 598 HA MET 510 HA MET 510 14.133 -4.611 -9.528 599 HB2 MET 510 HB2 MET 510 15.763 -2.091 -9.946 600 HB3 MET 510 HB3 MET 510 15.186 -2.660 -8.383 601 HG2 MET 510 HG2 MET 510 17.106 -4.105 -10.206 602 HG3 MET 510 HG3 MET 510 17.517 -3.248 -8.720 603 HE1 MET 510 HE1 MET 510 15.773 -5.465 -5.996 604 HE2 MET 510 HE2 MET 510 15.070 -4.068 -6.811 605 HE3 MET 510 HE3 MET 510 16.756 -4.033 -6.300 606 H TYR 511 H TYR 511 12.051 -4.267 -9.118 607 HA TYR 511 HA TYR 511 10.831 -1.706 -9.941 608 HB2 TYR 511 HB2 TYR 511 9.602 -4.465 -9.760 609 HB3 TYR 511 HB3 TYR 511 8.664 -2.992 -10.002 610 HD1 TYR 511 HD1 TYR 511 11.194 -5.224 -11.529 611 HD2 TYR 511 HD2 TYR 511 8.588 -1.911 -12.141 612 HE1 TYR 511 HE1 TYR 511 11.585 -5.370 -13.952 613 HE2 TYR 511 HE2 TYR 511 8.975 -2.049 -14.563 614 HH TYR 511 HH TYR 511 10.578 -4.717 -16.025 615 H ARG 512 H ARG 512 10.277 -0.409 -8.345 616 HA ARG 512 HA ARG 512 10.062 -1.474 -5.621 617 HB2 ARG 512 HB2 ARG 512 11.620 0.451 -6.229 618 HB3 ARG 512 HB3 ARG 512 10.174 1.434 -6.433 619 HG2 ARG 512 HG2 ARG 512 9.570 0.838 -4.054 620 HG3 ARG 512 HG3 ARG 512 11.182 0.130 -3.911 621 HD2 ARG 512 HD2 ARG 512 11.288 2.356 -3.043 622 HD3 ARG 512 HD3 ARG 512 12.129 2.350 -4.596 623 HE ARG 512 HE ARG 512 9.346 3.104 -4.715 624 HH11 ARG 512 HH11 ARG 512 12.597 4.214 -4.421 625 HH12 ARG 512 HH12 ARG 512 12.195 5.824 -4.907 626 HH21 ARG 512 HH21 ARG 512 8.845 5.179 -5.306 627 HH22 ARG 512 HH22 ARG 512 10.100 6.365 -5.386 628 H ILE 513 H ILE 513 8.109 -1.875 -4.851 629 HA ILE 513 HA ILE 513 5.743 -0.536 -5.934 630 HB ILE 513 HB ILE 513 5.963 -2.857 -3.992 631 HG12 ILE 513 HG12 ILE 513 5.294 -2.831 -6.956 632 HG13 ILE 513 HG13 ILE 513 6.810 -3.390 -6.256 633 HG21 ILE 513 HG21 ILE 513 3.540 -1.758 -5.429 634 HG22 ILE 513 HG22 ILE 513 3.875 -1.603 -3.704 635 HG23 ILE 513 HG23 ILE 513 3.570 -3.193 -4.404 636 HD11 ILE 513 HD11 ILE 513 5.597 -5.175 -5.093 637 HD12 ILE 513 HD12 ILE 513 5.386 -5.255 -6.842 638 HD13 ILE 513 HD13 ILE 513 4.093 -4.617 -5.827 639 H ASN 514 H ASN 514 4.945 1.206 -4.930 640 HA ASN 514 HA ASN 514 5.374 1.520 -2.023 641 HB2 ASN 514 HB2 ASN 514 5.073 3.643 -4.161 642 HB3 ASN 514 HB3 ASN 514 5.100 3.979 -2.432 643 HD21 ASN 514 HD21 ASN 514 7.019 3.729 -1.297 644 HD22 ASN 514 HD22 ASN 514 8.543 3.632 -2.092 645 H ALA 515 H ALA 515 3.646 1.829 -0.724 646 HA ALA 515 HA ALA 515 0.983 2.083 -1.984 647 HB1 ALA 515 HB1 ALA 515 1.248 -0.002 -0.739 648 HB2 ALA 515 HB2 ALA 515 0.063 1.045 0.046 649 HB3 ALA 515 HB3 ALA 515 1.695 0.901 0.708 650 H THR 516 H THR 516 -0.259 3.801 -1.499 651 HA THR 516 HA THR 516 0.598 5.603 0.689 652 HB THR 516 HB THR 516 -0.197 7.521 -0.722 653 HG1 THR 516 HG1 THR 516 -0.461 7.108 -2.968 654 HG21 THR 516 HG21 THR 516 1.772 7.614 -2.179 655 HG22 THR 516 HG22 THR 516 2.035 5.884 -1.951 656 HG23 THR 516 HG23 THR 516 2.203 6.989 -0.586 657 H VAL 517 H VAL 517 -1.002 6.460 1.964 658 HA VAL 517 HA VAL 517 -3.784 5.737 1.270 659 HB VAL 517 HB VAL 517 -3.026 4.559 3.266 660 HG11 VAL 517 HG11 VAL 517 -2.481 5.773 5.336 661 HG12 VAL 517 HG12 VAL 517 -2.527 7.294 4.441 662 HG13 VAL 517 HG13 VAL 517 -1.313 6.076 4.050 663 HG21 VAL 517 HG21 VAL 517 -5.375 5.175 3.138 664 HG22 VAL 517 HG22 VAL 517 -5.032 6.729 3.900 665 HG23 VAL 517 HG23 VAL 517 -4.817 5.232 4.809 666 H ASP 518 H ASP 518 -5.390 7.232 1.461 667 HA ASP 518 HA ASP 518 -6.316 9.259 1.093 668 HB2 ASP 518 HB2 ASP 518 -6.118 9.172 3.608 669 HB3 ASP 518 HB3 ASP 518 -4.661 10.151 3.465 670 H GLU 519 H GLU 519 -4.582 9.048 -0.800 671 HA GLU 519 HA GLU 519 -2.540 10.945 -1.061 672 HB2 GLU 519 HB2 GLU 519 -4.388 9.664 -3.071 673 HB3 GLU 519 HB3 GLU 519 -3.123 10.782 -3.561 674 HG2 GLU 519 HG2 GLU 519 -2.547 8.332 -1.922 675 HG3 GLU 519 HG3 GLU 519 -2.617 8.293 -3.683 676 H GLU 520 H GLU 520 -6.003 11.266 -1.368 677 HA GLU 520 HA GLU 520 -6.083 13.847 -2.542 678 HB2 GLU 520 HB2 GLU 520 -8.162 12.563 -0.754 679 HB3 GLU 520 HB3 GLU 520 -8.426 13.843 -1.932 680 HG2 GLU 520 HG2 GLU 520 -7.547 11.037 -2.605 681 HG3 GLU 520 HG3 GLU 520 -9.207 11.621 -2.684 682 H ASN 521 H ASN 521 -5.291 12.803 0.604 683 HA ASN 521 HA ASN 521 -5.117 13.730 2.654 684 HB2 ASN 521 HB2 ASN 521 -3.410 15.041 1.359 685 HB3 ASN 521 HB3 ASN 521 -4.611 16.316 1.167 686 HD21 ASN 521 HD21 ASN 521 -2.567 14.627 3.434 687 HD22 ASN 521 HD22 ASN 521 -2.697 15.787 4.708 688 H THR 522 H THR 522 -7.442 13.305 2.816 689 HA THR 522 HA THR 522 -9.190 15.665 2.742 690 HB THR 522 HB THR 522 -11.035 14.057 3.095 691 HG1 THR 522 HG1 THR 522 -9.005 12.046 2.920 692 HG21 THR 522 HG21 THR 522 -10.878 12.897 0.928 693 HG22 THR 522 HG22 THR 522 -9.157 13.277 0.852 694 HG23 THR 522 HG23 THR 522 -10.350 14.574 0.801 695 H VAL 523 H VAL 523 -7.312 13.952 4.960 696 HA VAL 523 HA VAL 523 -8.709 15.235 7.198 697 HB VAL 523 HB VAL 523 -9.550 12.903 7.039 698 HG11 VAL 523 HG11 VAL 523 -7.562 11.819 6.136 699 HG12 VAL 523 HG12 VAL 523 -8.084 11.027 7.623 700 HG13 VAL 523 HG13 VAL 523 -6.697 12.115 7.646 701 HG21 VAL 523 HG21 VAL 523 -9.256 12.359 9.401 702 HG22 VAL 523 HG22 VAL 523 -9.521 14.087 9.178 703 HG23 VAL 523 HG23 VAL 523 -7.896 13.478 9.503 704 H VAL 524 H VAL 524 -7.401 15.801 8.955 705 HA VAL 524 HA VAL 524 -4.585 16.066 8.323 706 HB VAL 524 HB VAL 524 -6.121 17.032 10.750 707 HG11 VAL 524 HG11 VAL 524 -3.729 16.863 11.203 708 HG12 VAL 524 HG12 VAL 524 -4.217 18.553 11.090 709 HG13 VAL 524 HG13 VAL 524 -3.369 17.790 9.745 710 HG21 VAL 524 HG21 VAL 524 -6.979 18.010 8.684 711 HG22 VAL 524 HG22 VAL 524 -5.349 18.497 8.218 712 HG23 VAL 524 HG23 VAL 524 -6.118 19.222 9.631 713 H GLU 525 H GLU 525 -3.119 14.617 8.883 714 HA GLU 525 HA GLU 525 -3.762 12.515 10.796 715 HB2 GLU 525 HB2 GLU 525 -1.398 12.805 8.926 716 HB3 GLU 525 HB3 GLU 525 -1.825 11.364 9.836 717 HG2 GLU 525 HG2 GLU 525 -3.652 12.602 7.792 718 HG3 GLU 525 HG3 GLU 525 -2.449 11.377 7.389 719 H LEU 526 H LEU 526 -2.301 11.807 12.423 720 HA LEU 526 HA LEU 526 -0.974 13.868 13.896 721 HB2 LEU 526 HB2 LEU 526 -0.948 10.860 14.230 722 HB3 LEU 526 HB3 LEU 526 -0.251 11.986 15.380 723 HG LEU 526 HG LEU 526 -3.183 11.868 14.642 724 HD11 LEU 526 HD11 LEU 526 -1.770 10.894 17.125 725 HD12 LEU 526 HD12 LEU 526 -2.490 9.878 15.875 726 HD13 LEU 526 HD13 LEU 526 -3.515 10.916 16.865 727 HD21 LEU 526 HD21 LEU 526 -1.743 13.444 16.783 728 HD22 LEU 526 HD22 LEU 526 -3.490 13.374 16.551 729 HD23 LEU 526 HD23 LEU 526 -2.467 14.108 15.317 730 H ASN 527 H ASN 527 0.150 11.221 11.825 731 HA ASN 527 HA ASN 527 2.876 12.363 11.944 732 HB2 ASN 527 HB2 ASN 527 2.610 10.064 12.937 733 HB3 ASN 527 HB3 ASN 527 2.173 9.484 11.335 734 HD21 ASN 527 HD21 ASN 527 4.357 8.624 12.924 735 HD22 ASN 527 HD22 ASN 527 5.806 8.986 12.050 736 H GLU 528 H GLU 528 3.569 13.231 10.078 737 HA GLU 528 HA GLU 528 1.935 12.990 7.698 738 HB2 GLU 528 HB2 GLU 528 2.812 15.165 8.452 739 HB3 GLU 528 HB3 GLU 528 4.454 14.591 8.219 740 HG2 GLU 528 HG2 GLU 528 3.789 16.028 6.391 741 HG3 GLU 528 HG3 GLU 528 4.047 14.382 5.815 742 H ASN 529 H ASN 529 4.781 11.477 8.873 743 HA ASN 529 HA ASN 529 5.641 10.657 6.171 744 HB2 ASN 529 HB2 ASN 529 7.033 10.328 8.843 745 HB3 ASN 529 HB3 ASN 529 7.701 9.869 7.279 746 HD21 ASN 529 HD21 ASN 529 6.660 12.195 5.896 747 HD22 ASN 529 HD22 ASN 529 7.608 13.538 6.425 748 H ASN 530 H ASN 530 3.320 9.588 7.909 749 HA ASN 530 HA ASN 530 4.188 6.797 8.291 750 HB2 ASN 530 HB2 ASN 530 3.251 8.159 10.202 751 HB3 ASN 530 HB3 ASN 530 1.707 8.150 9.364 752 HD21 ASN 530 HD21 ASN 530 0.710 7.072 11.026 753 HD22 ASN 530 HD22 ASN 530 0.995 5.402 11.355 754 H ASN 531 H ASN 531 2.431 8.667 6.103 755 HA ASN 531 HA ASN 531 0.268 6.776 5.653 756 HB2 ASN 531 HB2 ASN 531 0.926 9.350 4.199 757 HB3 ASN 531 HB3 ASN 531 -0.568 8.425 4.049 758 HD21 ASN 531 HD21 ASN 531 -2.028 8.414 5.788 759 HD22 ASN 531 HD22 ASN 531 -1.978 9.618 7.020 760 H VAL 532 H VAL 532 3.365 6.565 4.747 761 HA VAL 532 HA VAL 532 2.695 5.383 2.123 762 HB VAL 532 HB VAL 532 5.228 6.939 2.715 763 HG11 VAL 532 HG11 VAL 532 4.259 5.662 0.148 764 HG12 VAL 532 HG12 VAL 532 5.607 5.108 1.143 765 HG13 VAL 532 HG13 VAL 532 5.706 6.661 0.318 766 HG21 VAL 532 HG21 VAL 532 4.370 8.603 1.133 767 HG22 VAL 532 HG22 VAL 532 3.294 8.424 2.519 768 HG23 VAL 532 HG23 VAL 532 2.871 7.687 0.973 769 H ALA 533 H ALA 533 3.677 3.452 1.606 770 HA ALA 533 HA ALA 533 5.727 2.374 3.444 771 HB1 ALA 533 HB1 ALA 533 3.435 0.806 2.256 772 HB2 ALA 533 HB2 ALA 533 3.585 1.301 3.943 773 HB3 ALA 533 HB3 ALA 533 4.732 0.151 3.255 774 H THR 534 H THR 534 7.371 1.163 2.503 775 HA THR 534 HA THR 534 7.420 1.147 -0.461 776 HB THR 534 HB THR 534 9.788 1.425 1.412 777 HG1 THR 534 HG1 THR 534 8.534 3.326 1.337 778 HG21 THR 534 HG21 THR 534 9.629 1.599 -1.607 779 HG22 THR 534 HG22 THR 534 10.369 0.292 -0.685 780 HG23 THR 534 HG23 THR 534 11.065 1.911 -0.632 781 H PHE 535 H PHE 535 7.809 -0.741 -1.469 782 HA PHE 535 HA PHE 535 9.312 -2.849 -0.085 783 HB2 PHE 535 HB2 PHE 535 6.805 -3.270 0.097 784 HB3 PHE 535 HB3 PHE 535 6.784 -3.440 -1.654 785 HD1 PHE 535 HD1 PHE 535 8.089 -5.316 -2.715 786 HD2 PHE 535 HD2 PHE 535 7.496 -5.044 1.496 787 HE1 PHE 535 HE1 PHE 535 8.673 -7.696 -2.481 788 HE2 PHE 535 HE2 PHE 535 8.081 -7.419 1.732 789 HZ PHE 535 HZ PHE 535 8.674 -8.749 -0.257 790 H ASP 536 H ASP 536 11.010 -3.323 -1.369 791 HA ASP 536 HA ASP 536 10.804 -2.678 -4.228 792 HB2 ASP 536 HB2 ASP 536 13.337 -2.722 -4.142 793 HB3 ASP 536 HB3 ASP 536 12.553 -1.440 -3.229 794 H VAL 537 H VAL 537 10.800 -4.200 -5.730 795 HA VAL 537 HA VAL 537 11.364 -6.992 -4.938 796 HB VAL 537 HB VAL 537 9.502 -6.000 -7.118 797 HG11 VAL 537 HG11 VAL 537 9.918 -8.779 -6.005 798 HG12 VAL 537 HG12 VAL 537 10.405 -8.210 -7.601 799 HG13 VAL 537 HG13 VAL 537 8.694 -8.318 -7.191 800 HG21 VAL 537 HG21 VAL 537 8.841 -7.068 -4.369 801 HG22 VAL 537 HG22 VAL 537 7.671 -6.688 -5.634 802 HG23 VAL 537 HG23 VAL 537 8.644 -5.403 -4.917 803 H SER 538 H SER 538 12.578 -8.312 -6.292 804 HA SER 538 HA SER 538 13.924 -6.979 -8.569 805 HB2 SER 538 HB2 SER 538 15.444 -7.628 -6.716 806 HB3 SER 538 HB3 SER 538 14.947 -9.308 -6.916 807 HG SER 538 HG SER 538 16.527 -7.692 -8.577 808 H VAL 539 H VAL 539 13.651 -7.804 -10.566 809 HA VAL 539 HA VAL 539 12.240 -10.389 -10.820 810 HB VAL 539 HB VAL 539 12.273 -8.110 -12.814 811 HG11 VAL 539 HG11 VAL 539 10.600 -10.627 -12.704 812 HG12 VAL 539 HG12 VAL 539 11.899 -10.289 -13.849 813 HG13 VAL 539 HG13 VAL 539 10.423 -9.325 -13.882 814 HG21 VAL 539 HG21 VAL 539 11.115 -7.441 -10.767 815 HG22 VAL 539 HG22 VAL 539 10.111 -8.889 -10.849 816 HG23 VAL 539 HG23 VAL 539 9.976 -7.649 -12.097 817 H VAL 540 H VAL 540 13.285 -12.027 -11.772 818 HA VAL 540 HA VAL 540 15.637 -11.442 -13.473 819 HB VAL 540 HB VAL 540 16.553 -13.631 -12.798 820 HG11 VAL 540 HG11 VAL 540 17.225 -11.629 -11.560 821 HG12 VAL 540 HG12 VAL 540 17.181 -13.040 -10.502 822 HG13 VAL 540 HG13 VAL 540 15.876 -11.854 -10.446 823 HG21 VAL 540 HG21 VAL 540 15.552 -14.884 -10.940 824 HG22 VAL 540 HG22 VAL 540 14.449 -14.786 -12.312 825 HG23 VAL 540 HG23 VAL 540 14.198 -13.754 -10.904 826 H LEU 541 H LEU 541 16.122 -13.053 -15.160 827 HA LEU 541 HA LEU 541 13.734 -13.755 -16.624 828 HB2 LEU 541 HB2 LEU 541 16.662 -14.102 -17.269 829 HB3 LEU 541 HB3 LEU 541 15.362 -14.523 -18.368 830 HG LEU 541 HG LEU 541 15.935 -11.738 -17.329 831 HD11 LEU 541 HD11 LEU 541 16.670 -11.252 -19.606 832 HD12 LEU 541 HD12 LEU 541 16.417 -12.938 -20.059 833 HD13 LEU 541 HD13 LEU 541 17.657 -12.516 -18.877 834 HD21 LEU 541 HD21 LEU 541 13.561 -12.073 -17.776 835 HD22 LEU 541 HD22 LEU 541 13.934 -12.701 -19.383 836 HD23 LEU 541 HD23 LEU 541 14.277 -11.014 -18.989 837 H GLU 542 H GLU 542 15.670 -15.443 -14.390 838 HA GLU 542 HA GLU 542 15.105 -18.054 -15.605 839 HB2 GLU 542 HB2 GLU 542 16.687 -18.918 -13.839 840 HB3 GLU 542 HB3 GLU 542 17.384 -17.837 -15.032 841 HG2 GLU 542 HG2 GLU 542 17.317 -15.995 -13.430 842 HG3 GLU 542 HG3 GLU 542 16.573 -17.055 -12.233 Start of MODEL 15 1 H1 MET 435 H1 MET 435 -10.366 18.016 21.228 2 H2 MET 435 H2 MET 435 -8.868 17.280 21.488 3 H3 MET 435 H3 MET 435 -10.271 16.337 21.414 4 HA MET 435 HA MET 435 -10.591 16.962 19.098 5 HB2 MET 435 HB2 MET 435 -7.909 18.324 19.481 6 HB3 MET 435 HB3 MET 435 -8.680 18.061 17.923 7 HG2 MET 435 HG2 MET 435 -9.766 19.750 20.172 8 HG3 MET 435 HG3 MET 435 -9.010 20.341 18.689 9 HE1 MET 435 HE1 MET 435 -11.873 21.339 19.674 10 HE2 MET 435 HE2 MET 435 -12.762 21.314 18.151 11 HE3 MET 435 HE3 MET 435 -11.097 21.893 18.192 12 H GLU 436 H GLU 436 -10.450 14.939 18.334 13 HA GLU 436 HA GLU 436 -7.971 13.406 18.726 14 HB2 GLU 436 HB2 GLU 436 -10.767 12.548 17.957 15 HB3 GLU 436 HB3 GLU 436 -9.388 11.461 17.920 16 HG2 GLU 436 HG2 GLU 436 -10.649 11.126 19.941 17 HG3 GLU 436 HG3 GLU 436 -9.067 11.796 20.329 18 H PHE 437 H PHE 437 -6.624 12.979 17.074 19 HA PHE 437 HA PHE 437 -7.625 13.381 14.320 20 HB2 PHE 437 HB2 PHE 437 -4.821 13.820 15.382 21 HB3 PHE 437 HB3 PHE 437 -5.288 13.941 13.690 22 HD1 PHE 437 HD1 PHE 437 -6.663 15.802 12.897 23 HD2 PHE 437 HD2 PHE 437 -5.418 15.550 16.966 24 HE1 PHE 437 HE1 PHE 437 -7.276 18.161 13.231 25 HE2 PHE 437 HE2 PHE 437 -6.032 17.908 17.302 26 HZ PHE 437 HZ PHE 437 -6.962 19.217 15.433 27 HA PRO 438 HA PRO 438 -6.584 9.134 13.746 28 HB2 PRO 438 HB2 PRO 438 -6.724 9.057 10.999 29 HB3 PRO 438 HB3 PRO 438 -8.112 9.011 12.084 30 HG2 PRO 438 HG2 PRO 438 -7.212 11.158 10.335 31 HG3 PRO 438 HG3 PRO 438 -8.765 10.961 11.147 32 HD2 PRO 438 HD2 PRO 438 -6.569 12.673 11.877 33 HD3 PRO 438 HD3 PRO 438 -8.148 12.515 12.665 34 H ASP 439 H ASP 439 -5.168 7.693 12.349 35 HA ASP 439 HA ASP 439 -2.713 8.896 11.371 36 HB2 ASP 439 HB2 ASP 439 -2.477 8.533 13.888 37 HB3 ASP 439 HB3 ASP 439 -2.564 6.808 13.557 38 H LEU 440 H LEU 440 -3.508 8.022 9.402 39 HA LEU 440 HA LEU 440 -3.998 5.173 9.163 40 HB2 LEU 440 HB2 LEU 440 -3.977 7.370 7.087 41 HB3 LEU 440 HB3 LEU 440 -4.460 5.714 6.781 42 HG LEU 440 HG LEU 440 -5.863 7.587 8.697 43 HD11 LEU 440 HD11 LEU 440 -6.145 8.368 6.430 44 HD12 LEU 440 HD12 LEU 440 -7.648 7.641 6.997 45 HD13 LEU 440 HD13 LEU 440 -6.599 6.750 5.891 46 HD21 LEU 440 HD21 LEU 440 -7.632 5.873 8.678 47 HD22 LEU 440 HD22 LEU 440 -6.117 5.265 9.345 48 HD23 LEU 440 HD23 LEU 440 -6.596 4.830 7.703 49 H THR 441 H THR 441 -2.361 3.791 8.979 50 HA THR 441 HA THR 441 -0.117 4.499 7.189 51 HB THR 441 HB THR 441 0.719 4.506 9.481 52 HG1 THR 441 HG1 THR 441 2.326 3.774 8.264 53 HG21 THR 441 HG21 THR 441 -0.913 3.008 10.521 54 HG22 THR 441 HG22 THR 441 0.734 2.464 10.842 55 HG23 THR 441 HG23 THR 441 -0.244 1.644 9.625 56 H VAL 442 H VAL 442 0.971 2.648 6.205 57 HA VAL 442 HA VAL 442 -0.773 0.298 5.862 58 HB VAL 442 HB VAL 442 -0.389 0.335 3.427 59 HG11 VAL 442 HG11 VAL 442 -1.843 2.218 2.854 60 HG12 VAL 442 HG12 VAL 442 -1.550 2.940 4.437 61 HG13 VAL 442 HG13 VAL 442 -2.413 1.405 4.313 62 HG21 VAL 442 HG21 VAL 442 1.735 1.504 3.346 63 HG22 VAL 442 HG22 VAL 442 0.981 2.982 3.939 64 HG23 VAL 442 HG23 VAL 442 0.553 2.349 2.349 65 H GLU 443 H GLU 443 0.283 -1.644 5.351 66 HA GLU 443 HA GLU 443 3.246 -1.605 5.377 67 HB2 GLU 443 HB2 GLU 443 1.425 -3.663 6.652 68 HB3 GLU 443 HB3 GLU 443 3.173 -3.771 6.585 69 HG2 GLU 443 HG2 GLU 443 3.287 -1.678 7.937 70 HG3 GLU 443 HG3 GLU 443 1.532 -1.747 8.101 71 H ILE 444 H ILE 444 4.271 -2.836 3.834 72 HA ILE 444 HA ILE 444 2.561 -4.411 2.004 73 HB ILE 444 HB ILE 444 5.302 -3.239 1.454 74 HG12 ILE 444 HG12 ILE 444 2.579 -2.317 0.476 75 HG13 ILE 444 HG13 ILE 444 3.548 -1.500 1.698 76 HG21 ILE 444 HG21 ILE 444 4.843 -3.840 -0.887 77 HG22 ILE 444 HG22 ILE 444 3.333 -4.605 -0.390 78 HG23 ILE 444 HG23 ILE 444 4.876 -5.257 0.161 79 HD11 ILE 444 HD11 ILE 444 5.301 -1.116 0.017 80 HD12 ILE 444 HD12 ILE 444 3.759 -0.383 -0.427 81 HD13 ILE 444 HD13 ILE 444 4.277 -1.881 -1.200 82 H LYS 445 H LYS 445 2.819 -6.568 1.924 83 HA LYS 445 HA LYS 445 5.364 -7.746 2.867 84 HB2 LYS 445 HB2 LYS 445 3.533 -7.990 4.548 85 HB3 LYS 445 HB3 LYS 445 2.587 -8.863 3.351 86 HG2 LYS 445 HG2 LYS 445 3.598 -10.447 4.837 87 HG3 LYS 445 HG3 LYS 445 4.371 -10.585 3.257 88 HD2 LYS 445 HD2 LYS 445 6.262 -9.253 4.051 89 HD3 LYS 445 HD3 LYS 445 5.487 -9.063 5.624 90 HE2 LYS 445 HE2 LYS 445 5.587 -11.511 5.937 91 HE3 LYS 445 HE3 LYS 445 6.408 -11.661 4.383 92 HZ1 LYS 445 HZ1 LYS 445 7.988 -11.685 6.194 93 HZ2 LYS 445 HZ2 LYS 445 7.429 -10.191 6.756 94 HZ3 LYS 445 HZ3 LYS 445 8.210 -10.291 5.262 95 H GLY 446 H GLY 446 6.279 -9.205 1.486 96 HA2 GLY 446 HA2 GLY 446 4.943 -11.110 -0.045 97 HA3 GLY 446 HA3 GLY 446 5.128 -9.702 -1.076 98 HA PRO 447 HA PRO 447 8.982 -12.372 -1.363 99 HB2 PRO 447 HB2 PRO 447 8.901 -12.850 -4.023 100 HB3 PRO 447 HB3 PRO 447 8.014 -13.839 -2.856 101 HG2 PRO 447 HG2 PRO 447 7.009 -11.589 -4.575 102 HG3 PRO 447 HG3 PRO 447 6.269 -13.171 -4.260 103 HD2 PRO 447 HD2 PRO 447 5.497 -10.905 -2.970 104 HD3 PRO 447 HD3 PRO 447 5.426 -12.511 -2.214 105 H ASP 448 H ASP 448 10.930 -11.474 -1.688 106 HA ASP 448 HA ASP 448 11.213 -8.782 -2.561 107 HB2 ASP 448 HB2 ASP 448 13.333 -10.879 -2.022 108 HB3 ASP 448 HB3 ASP 448 13.616 -9.147 -2.167 109 H VAL 449 H VAL 449 12.230 -11.892 -3.993 110 HA VAL 449 HA VAL 449 12.760 -10.477 -6.538 111 HB VAL 449 HB VAL 449 14.094 -13.006 -5.531 112 HG11 VAL 449 HG11 VAL 449 13.859 -12.977 -7.971 113 HG12 VAL 449 HG12 VAL 449 15.546 -12.797 -7.491 114 HG13 VAL 449 HG13 VAL 449 14.629 -11.391 -8.031 115 HG21 VAL 449 HG21 VAL 449 14.862 -11.050 -4.294 116 HG22 VAL 449 HG22 VAL 449 15.194 -10.202 -5.805 117 HG23 VAL 449 HG23 VAL 449 16.132 -11.631 -5.372 118 H VAL 450 H VAL 450 11.538 -11.063 -8.230 119 HA VAL 450 HA VAL 450 10.083 -13.638 -8.097 120 HB VAL 450 HB VAL 450 8.159 -12.595 -9.183 121 HG11 VAL 450 HG11 VAL 450 8.175 -12.671 -6.757 122 HG12 VAL 450 HG12 VAL 450 7.397 -11.184 -7.301 123 HG13 VAL 450 HG13 VAL 450 9.052 -11.141 -6.687 124 HG21 VAL 450 HG21 VAL 450 9.723 -10.015 -8.966 125 HG22 VAL 450 HG22 VAL 450 8.026 -10.140 -9.432 126 HG23 VAL 450 HG23 VAL 450 9.276 -10.851 -10.452 127 H GLY 451 H GLY 451 9.358 -14.476 -10.204 128 HA2 GLY 451 HA2 GLY 451 11.519 -14.203 -12.157 129 HA3 GLY 451 HA3 GLY 451 10.312 -15.477 -12.109 130 H VAL 452 H VAL 452 11.253 -13.747 -14.325 131 HA VAL 452 HA VAL 452 9.242 -11.917 -15.068 132 HB VAL 452 HB VAL 452 11.515 -12.046 -16.087 133 HG11 VAL 452 HG11 VAL 452 11.640 -14.488 -16.351 134 HG12 VAL 452 HG12 VAL 452 11.985 -13.642 -17.857 135 HG13 VAL 452 HG13 VAL 452 10.415 -14.409 -17.619 136 HG21 VAL 452 HG21 VAL 452 10.802 -11.501 -18.383 137 HG22 VAL 452 HG22 VAL 452 9.785 -10.730 -17.165 138 HG23 VAL 452 HG23 VAL 452 9.202 -12.154 -18.028 139 H ASN 453 H ASN 453 7.358 -12.137 -16.223 140 HA ASN 453 HA ASN 453 5.445 -13.068 -17.009 141 HB2 ASN 453 HB2 ASN 453 7.225 -15.383 -17.819 142 HB3 ASN 453 HB3 ASN 453 5.579 -15.107 -18.384 143 HD21 ASN 453 HD21 ASN 453 8.880 -14.223 -18.703 144 HD22 ASN 453 HD22 ASN 453 8.683 -13.162 -20.050 145 H LYS 454 H LYS 454 6.586 -13.796 -14.240 146 HA LYS 454 HA LYS 454 4.885 -16.156 -13.742 147 HB2 LYS 454 HB2 LYS 454 7.151 -15.021 -12.091 148 HB3 LYS 454 HB3 LYS 454 6.141 -16.373 -11.598 149 HG2 LYS 454 HG2 LYS 454 7.958 -16.299 -14.007 150 HG3 LYS 454 HG3 LYS 454 8.264 -17.154 -12.495 151 HD2 LYS 454 HD2 LYS 454 5.983 -17.707 -14.407 152 HD3 LYS 454 HD3 LYS 454 7.454 -18.668 -14.258 153 HE2 LYS 454 HE2 LYS 454 6.868 -19.182 -11.923 154 HE3 LYS 454 HE3 LYS 454 5.388 -18.236 -12.096 155 HZ1 LYS 454 HZ1 LYS 454 5.026 -20.635 -12.368 156 HZ2 LYS 454 HZ2 LYS 454 6.054 -20.639 -13.711 157 HZ3 LYS 454 HZ3 LYS 454 4.609 -19.767 -13.759 158 H LEU 455 H LEU 455 3.721 -16.191 -11.663 159 HA LEU 455 HA LEU 455 2.390 -13.608 -11.232 160 HB2 LEU 455 HB2 LEU 455 1.063 -15.593 -11.931 161 HB3 LEU 455 HB3 LEU 455 1.516 -16.392 -10.437 162 HG LEU 455 HG LEU 455 0.336 -14.636 -9.148 163 HD11 LEU 455 HD11 LEU 455 -1.169 -13.089 -10.367 164 HD12 LEU 455 HD12 LEU 455 -0.431 -13.610 -11.882 165 HD13 LEU 455 HD13 LEU 455 0.540 -12.777 -10.668 166 HD21 LEU 455 HD21 LEU 455 -1.364 -15.977 -11.261 167 HD22 LEU 455 HD22 LEU 455 -1.943 -15.324 -9.727 168 HD23 LEU 455 HD23 LEU 455 -0.839 -16.699 -9.739 169 H ALA 456 H ALA 456 2.703 -12.485 -9.399 170 HA ALA 456 HA ALA 456 3.476 -13.942 -6.946 171 HB1 ALA 456 HB1 ALA 456 5.449 -12.834 -7.897 172 HB2 ALA 456 HB2 ALA 456 4.997 -12.140 -6.339 173 HB3 ALA 456 HB3 ALA 456 4.609 -11.286 -7.833 174 H GLU 457 H GLU 457 2.303 -13.457 -5.164 175 HA GLU 457 HA GLU 457 0.415 -11.202 -5.331 176 HB2 GLU 457 HB2 GLU 457 0.321 -13.835 -3.900 177 HB3 GLU 457 HB3 GLU 457 -0.617 -12.483 -3.277 178 HG2 GLU 457 HG2 GLU 457 -1.796 -12.282 -5.377 179 HG3 GLU 457 HG3 GLU 457 -0.819 -13.574 -6.083 180 H TYR 458 H TYR 458 0.356 -9.609 -3.884 181 HA TYR 458 HA TYR 458 2.216 -9.700 -1.586 182 HB2 TYR 458 HB2 TYR 458 1.516 -7.351 -3.367 183 HB3 TYR 458 HB3 TYR 458 2.415 -7.208 -1.861 184 HD1 TYR 458 HD1 TYR 458 2.529 -8.771 -5.247 185 HD2 TYR 458 HD2 TYR 458 4.747 -7.532 -1.826 186 HE1 TYR 458 HE1 TYR 458 4.627 -9.194 -6.457 187 HE2 TYR 458 HE2 TYR 458 6.845 -7.958 -3.032 188 HH TYR 458 HH TYR 458 7.696 -9.194 -4.874 189 H GLU 459 H GLU 459 1.523 -8.572 0.313 190 HA GLU 459 HA GLU 459 -1.413 -8.266 0.488 191 HB2 GLU 459 HB2 GLU 459 0.458 -9.288 2.641 192 HB3 GLU 459 HB3 GLU 459 -1.294 -9.176 2.747 193 HG2 GLU 459 HG2 GLU 459 -1.538 -10.862 1.023 194 HG3 GLU 459 HG3 GLU 459 0.211 -10.933 0.813 195 H VAL 460 H VAL 460 -2.109 -6.351 1.180 196 HA VAL 460 HA VAL 460 -0.202 -4.484 2.423 197 HB VAL 460 HB VAL 460 -2.889 -3.815 1.200 198 HG11 VAL 460 HG11 VAL 460 -2.073 -2.152 2.774 199 HG12 VAL 460 HG12 VAL 460 -1.991 -1.522 1.129 200 HG13 VAL 460 HG13 VAL 460 -0.523 -2.080 1.934 201 HG21 VAL 460 HG21 VAL 460 -1.659 -3.046 -0.784 202 HG22 VAL 460 HG22 VAL 460 -1.471 -4.781 -0.529 203 HG23 VAL 460 HG23 VAL 460 -0.161 -3.679 -0.102 204 H HIS 461 H HIS 461 -0.338 -4.410 4.589 205 HA HIS 461 HA HIS 461 -2.910 -4.800 5.938 206 HB2 HIS 461 HB2 HIS 461 -0.074 -4.557 6.943 207 HB3 HIS 461 HB3 HIS 461 -1.448 -4.525 8.037 208 HD1 HIS 461 HD1 HIS 461 -2.324 -6.755 8.791 209 HD2 HIS 461 HD2 HIS 461 0.144 -7.066 5.456 210 HE1 HIS 461 HE1 HIS 461 -1.986 -9.214 8.424 211 HE2 HIS 461 HE2 HIS 461 -0.392 -9.374 6.491 212 H VAL 462 H VAL 462 -4.186 -3.050 5.967 213 HA VAL 462 HA VAL 462 -2.970 -0.392 6.323 214 HB VAL 462 HB VAL 462 -4.992 0.559 5.377 215 HG11 VAL 462 HG11 VAL 462 -3.244 -0.147 3.825 216 HG12 VAL 462 HG12 VAL 462 -4.838 -0.326 3.094 217 HG13 VAL 462 HG13 VAL 462 -3.982 -1.744 3.700 218 HG21 VAL 462 HG21 VAL 462 -6.822 -0.832 4.512 219 HG22 VAL 462 HG22 VAL 462 -6.638 -1.034 6.256 220 HG23 VAL 462 HG23 VAL 462 -6.036 -2.274 5.154 221 H LYS 463 H LYS 463 -3.492 0.854 8.068 222 HA LYS 463 HA LYS 463 -5.536 -0.077 9.934 223 HB2 LYS 463 HB2 LYS 463 -3.778 -0.044 11.803 224 HB3 LYS 463 HB3 LYS 463 -3.794 -1.436 10.725 225 HG2 LYS 463 HG2 LYS 463 -1.860 -0.771 9.622 226 HG3 LYS 463 HG3 LYS 463 -2.004 0.894 10.167 227 HD2 LYS 463 HD2 LYS 463 -0.236 -0.002 11.435 228 HD3 LYS 463 HD3 LYS 463 -1.624 -0.017 12.523 229 HE2 LYS 463 HE2 LYS 463 -0.737 -2.397 10.905 230 HE3 LYS 463 HE3 LYS 463 -0.208 -2.090 12.554 231 HZ1 LYS 463 HZ1 LYS 463 -2.078 -3.643 12.419 232 HZ2 LYS 463 HZ2 LYS 463 -3.035 -2.440 11.727 233 HZ3 LYS 463 HZ3 LYS 463 -2.469 -2.263 13.307 234 H ASN 464 H ASN 464 -6.117 1.395 11.534 235 HA ASN 464 HA ASN 464 -5.128 4.161 11.184 236 HB2 ASN 464 HB2 ASN 464 -7.563 3.704 10.798 237 HB3 ASN 464 HB3 ASN 464 -7.697 3.157 12.461 238 HD21 ASN 464 HD21 ASN 464 -9.137 5.257 11.185 239 HD22 ASN 464 HD22 ASN 464 -8.798 6.708 12.058 240 H LEU 465 H LEU 465 -3.963 5.048 12.848 241 HA LEU 465 HA LEU 465 -3.849 3.532 15.385 242 HB2 LEU 465 HB2 LEU 465 -1.738 5.328 14.174 243 HB3 LEU 465 HB3 LEU 465 -1.577 4.401 15.654 244 HG LEU 465 HG LEU 465 -1.888 3.241 12.876 245 HD11 LEU 465 HD11 LEU 465 0.518 3.356 14.700 246 HD12 LEU 465 HD12 LEU 465 0.294 4.267 13.205 247 HD13 LEU 465 HD13 LEU 465 0.431 2.511 13.153 248 HD21 LEU 465 HD21 LEU 465 -1.418 1.079 13.939 249 HD22 LEU 465 HD22 LEU 465 -2.908 1.796 14.553 250 HD23 LEU 465 HD23 LEU 465 -1.437 1.855 15.525 251 H GLY 466 H GLY 466 -5.199 6.286 14.217 252 HA2 GLY 466 HA2 GLY 466 -4.456 8.113 16.344 253 HA3 GLY 466 HA3 GLY 466 -5.636 8.406 15.082 254 H GLY 467 H GLY 467 -7.025 5.816 15.814 255 HA2 GLY 467 HA2 GLY 467 -8.497 5.001 17.449 256 HA3 GLY 467 HA3 GLY 467 -8.063 6.346 18.488 257 H ILE 468 H ILE 468 -8.995 7.040 15.235 258 HA ILE 468 HA ILE 468 -11.785 7.561 15.993 259 HB ILE 468 HB ILE 468 -10.749 9.705 16.309 260 HG12 ILE 468 HG12 ILE 468 -12.122 9.702 13.603 261 HG13 ILE 468 HG13 ILE 468 -12.951 9.700 15.157 262 HG21 ILE 468 HG21 ILE 468 -9.575 9.399 13.545 263 HG22 ILE 468 HG22 ILE 468 -8.693 9.337 15.070 264 HG23 ILE 468 HG23 ILE 468 -9.457 10.841 14.556 265 HD11 ILE 468 HD11 ILE 468 -11.134 11.881 14.148 266 HD12 ILE 468 HD12 ILE 468 -12.022 11.886 15.671 267 HD13 ILE 468 HD13 ILE 468 -12.897 11.919 14.140 268 H GLY 469 H GLY 469 -13.281 7.400 14.274 269 HA2 GLY 469 HA2 GLY 469 -12.476 5.649 12.165 270 HA3 GLY 469 HA3 GLY 469 -14.074 6.323 12.393 271 H VAL 470 H VAL 470 -12.186 5.960 10.017 272 HA VAL 470 HA VAL 470 -12.394 8.711 8.968 273 HB VAL 470 HB VAL 470 -10.130 6.796 8.364 274 HG11 VAL 470 HG11 VAL 470 -10.536 9.692 7.599 275 HG12 VAL 470 HG12 VAL 470 -10.620 8.302 6.515 276 HG13 VAL 470 HG13 VAL 470 -9.089 8.737 7.273 277 HG21 VAL 470 HG21 VAL 470 -10.134 9.252 10.124 278 HG22 VAL 470 HG22 VAL 470 -8.712 8.309 9.676 279 HG23 VAL 470 HG23 VAL 470 -9.975 7.581 10.666 280 HA PRO 471 HA PRO 471 -14.337 6.437 5.516 281 HB2 PRO 471 HB2 PRO 471 -15.729 8.511 4.535 282 HB3 PRO 471 HB3 PRO 471 -16.246 7.669 6.002 283 HG2 PRO 471 HG2 PRO 471 -14.815 10.280 5.714 284 HG3 PRO 471 HG3 PRO 471 -16.111 9.831 6.836 285 HD2 PRO 471 HD2 PRO 471 -13.415 9.901 7.476 286 HD3 PRO 471 HD3 PRO 471 -14.643 8.975 8.362 287 H SER 472 H SER 472 -12.101 8.987 5.647 288 HA SER 472 HA SER 472 -11.898 9.561 2.826 289 HB2 SER 472 HB2 SER 472 -10.248 10.416 5.210 290 HB3 SER 472 HB3 SER 472 -9.892 10.925 3.561 291 HG SER 472 HG SER 472 -11.263 12.451 3.928 292 H THR 473 H THR 473 -11.175 6.753 4.032 293 HA THR 473 HA THR 473 -8.276 6.701 3.724 294 HB THR 473 HB THR 473 -10.140 4.453 4.546 295 HG1 THR 473 HG1 THR 473 -8.488 5.716 6.403 296 HG21 THR 473 HG21 THR 473 -7.956 3.670 3.715 297 HG22 THR 473 HG22 THR 473 -8.127 3.400 5.451 298 HG23 THR 473 HG23 THR 473 -7.145 4.739 4.861 299 H LYS 474 H LYS 474 -8.075 6.934 1.461 300 HA LYS 474 HA LYS 474 -8.819 4.623 -0.189 301 HB2 LYS 474 HB2 LYS 474 -7.349 7.167 -0.940 302 HB3 LYS 474 HB3 LYS 474 -7.860 5.912 -2.062 303 HG2 LYS 474 HG2 LYS 474 -10.205 6.385 -1.503 304 HG3 LYS 474 HG3 LYS 474 -9.674 7.670 -0.413 305 HD2 LYS 474 HD2 LYS 474 -8.648 8.858 -2.288 306 HD3 LYS 474 HD3 LYS 474 -9.119 7.559 -3.386 307 HE2 LYS 474 HE2 LYS 474 -11.492 8.021 -2.864 308 HE3 LYS 474 HE3 LYS 474 -10.984 9.366 -1.843 309 HZ1 LYS 474 HZ1 LYS 474 -11.670 10.043 -4.091 310 HZ2 LYS 474 HZ2 LYS 474 -10.395 9.144 -4.743 311 HZ3 LYS 474 HZ3 LYS 474 -10.075 10.470 -3.742 312 H VAL 475 H VAL 475 -7.376 3.026 -0.692 313 HA VAL 475 HA VAL 475 -4.538 3.473 0.031 314 HB VAL 475 HB VAL 475 -6.024 0.831 0.064 315 HG11 VAL 475 HG11 VAL 475 -3.221 1.513 0.980 316 HG12 VAL 475 HG12 VAL 475 -3.639 0.600 -0.470 317 HG13 VAL 475 HG13 VAL 475 -4.007 -0.062 1.122 318 HG21 VAL 475 HG21 VAL 475 -5.120 2.557 2.380 319 HG22 VAL 475 HG22 VAL 475 -5.837 0.949 2.507 320 HG23 VAL 475 HG23 VAL 475 -6.790 2.290 1.871 321 H ARG 476 H ARG 476 -3.240 3.558 -1.715 322 HA ARG 476 HA ARG 476 -3.953 1.897 -4.057 323 HB2 ARG 476 HB2 ARG 476 -2.698 4.643 -4.256 324 HB3 ARG 476 HB3 ARG 476 -3.326 3.650 -5.566 325 HG2 ARG 476 HG2 ARG 476 -5.600 3.853 -4.403 326 HG3 ARG 476 HG3 ARG 476 -4.857 5.139 -3.452 327 HD2 ARG 476 HD2 ARG 476 -5.252 5.043 -6.439 328 HD3 ARG 476 HD3 ARG 476 -6.003 6.148 -5.291 329 HE ARG 476 HE ARG 476 -3.226 6.466 -5.137 330 HH11 ARG 476 HH11 ARG 476 -5.844 7.081 -7.282 331 HH12 ARG 476 HH12 ARG 476 -5.013 8.343 -8.117 332 HH21 ARG 476 HH21 ARG 476 -2.160 8.086 -6.198 333 HH22 ARG 476 HH22 ARG 476 -2.943 8.933 -7.491 334 H VAL 477 H VAL 477 -2.225 1.205 -5.411 335 HA VAL 477 HA VAL 477 0.392 1.070 -4.036 336 HB VAL 477 HB VAL 477 -0.963 -1.078 -5.699 337 HG11 VAL 477 HG11 VAL 477 1.462 -1.076 -6.031 338 HG12 VAL 477 HG12 VAL 477 0.942 -2.496 -5.125 339 HG13 VAL 477 HG13 VAL 477 1.710 -1.146 -4.287 340 HG21 VAL 477 HG21 VAL 477 -1.034 -2.362 -3.616 341 HG22 VAL 477 HG22 VAL 477 -1.935 -0.853 -3.463 342 HG23 VAL 477 HG23 VAL 477 -0.331 -1.000 -2.742 343 H TYR 478 H TYR 478 2.187 1.472 -5.216 344 HA TYR 478 HA TYR 478 1.884 1.990 -8.110 345 HB2 TYR 478 HB2 TYR 478 3.707 3.541 -6.256 346 HB3 TYR 478 HB3 TYR 478 3.318 3.908 -7.932 347 HD1 TYR 478 HD1 TYR 478 2.144 4.046 -4.465 348 HD2 TYR 478 HD2 TYR 478 1.202 4.975 -8.515 349 HE1 TYR 478 HE1 TYR 478 0.321 5.497 -3.703 350 HE2 TYR 478 HE2 TYR 478 -0.626 6.441 -7.756 351 HH TYR 478 HH TYR 478 -1.002 7.317 -4.431 352 H ILE 479 H ILE 479 3.504 1.282 -9.430 353 HA ILE 479 HA ILE 479 5.815 -0.084 -8.190 354 HB ILE 479 HB ILE 479 4.540 -0.631 -10.888 355 HG12 ILE 479 HG12 ILE 479 4.505 -2.280 -8.338 356 HG13 ILE 479 HG13 ILE 479 3.140 -1.374 -8.983 357 HG21 ILE 479 HG21 ILE 479 6.935 -1.055 -10.928 358 HG22 ILE 479 HG22 ILE 479 6.053 -2.581 -10.959 359 HG23 ILE 479 HG23 ILE 479 6.810 -2.032 -9.464 360 HD11 ILE 479 HD11 ILE 479 4.486 -3.738 -10.268 361 HD12 ILE 479 HD12 ILE 479 3.168 -2.805 -10.981 362 HD13 ILE 479 HD13 ILE 479 2.902 -3.712 -9.491 363 H ASN 480 H ASN 480 7.617 1.114 -8.367 364 HA ASN 480 HA ASN 480 9.080 2.739 -9.005 365 HB2 ASN 480 HB2 ASN 480 8.278 1.660 -11.716 366 HB3 ASN 480 HB3 ASN 480 9.550 2.859 -11.509 367 HD21 ASN 480 HD21 ASN 480 9.829 0.220 -12.593 368 HD22 ASN 480 HD22 ASN 480 10.941 -0.624 -11.574 369 H GLY 481 H GLY 481 6.401 3.599 -8.482 370 HA2 GLY 481 HA2 GLY 481 5.643 5.843 -8.412 371 HA3 GLY 481 HA3 GLY 481 6.451 6.154 -9.936 372 H THR 482 H THR 482 5.170 3.583 -11.020 373 HA THR 482 HA THR 482 2.887 4.973 -12.147 374 HB THR 482 HB THR 482 3.850 2.157 -12.729 375 HG1 THR 482 HG1 THR 482 4.454 3.954 -14.649 376 HG21 THR 482 HG21 THR 482 2.671 2.447 -14.863 377 HG22 THR 482 HG22 THR 482 2.117 4.041 -14.348 378 HG23 THR 482 HG23 THR 482 1.560 2.596 -13.503 379 H LEU 483 H LEU 483 0.785 4.690 -11.631 380 HA LEU 483 HA LEU 483 -0.017 3.239 -9.357 381 HB2 LEU 483 HB2 LEU 483 -1.229 5.199 -10.153 382 HB3 LEU 483 HB3 LEU 483 -1.683 4.351 -11.620 383 HG LEU 483 HG LEU 483 -3.023 2.761 -10.261 384 HD11 LEU 483 HD11 LEU 483 -2.347 4.586 -7.956 385 HD12 LEU 483 HD12 LEU 483 -1.787 2.926 -8.165 386 HD13 LEU 483 HD13 LEU 483 -3.502 3.254 -7.921 387 HD21 LEU 483 HD21 LEU 483 -3.720 5.672 -9.868 388 HD22 LEU 483 HD22 LEU 483 -4.841 4.318 -9.720 389 HD23 LEU 483 HD23 LEU 483 -4.105 4.685 -11.280 390 H TYR 484 H TYR 484 -0.457 1.145 -9.081 391 HA TYR 484 HA TYR 484 -0.914 -0.543 -11.449 392 HB2 TYR 484 HB2 TYR 484 1.010 -1.243 -10.195 393 HB3 TYR 484 HB3 TYR 484 0.102 -1.222 -8.685 394 HD1 TYR 484 HD1 TYR 484 0.304 -2.932 -11.988 395 HD2 TYR 484 HD2 TYR 484 -1.016 -3.163 -7.943 396 HE1 TYR 484 HE1 TYR 484 -0.322 -5.283 -12.330 397 HE2 TYR 484 HE2 TYR 484 -1.647 -5.513 -8.280 398 HH TYR 484 HH TYR 484 -0.710 -7.303 -11.027 399 H LYS 485 H LYS 485 -2.201 0.059 -8.183 400 HA LYS 485 HA LYS 485 -4.827 -0.865 -8.996 401 HB2 LYS 485 HB2 LYS 485 -3.530 -2.944 -8.317 402 HB3 LYS 485 HB3 LYS 485 -3.456 -2.281 -6.691 403 HG2 LYS 485 HG2 LYS 485 -5.870 -2.362 -6.506 404 HG3 LYS 485 HG3 LYS 485 -6.003 -2.911 -8.180 405 HD2 LYS 485 HD2 LYS 485 -4.724 -4.940 -7.601 406 HD3 LYS 485 HD3 LYS 485 -4.636 -4.395 -5.926 407 HE2 LYS 485 HE2 LYS 485 -7.092 -4.492 -5.781 408 HE3 LYS 485 HE3 LYS 485 -7.161 -5.058 -7.450 409 HZ1 LYS 485 HZ1 LYS 485 -7.333 -6.896 -5.917 410 HZ2 LYS 485 HZ2 LYS 485 -5.871 -6.477 -5.179 411 HZ3 LYS 485 HZ3 LYS 485 -5.889 -7.019 -6.782 412 H ASN 486 H ASN 486 -6.503 -0.284 -7.422 413 HA ASN 486 HA ASN 486 -5.603 1.475 -5.249 414 HB2 ASN 486 HB2 ASN 486 -7.095 3.291 -5.976 415 HB3 ASN 486 HB3 ASN 486 -5.863 2.944 -7.185 416 HD21 ASN 486 HD21 ASN 486 -6.486 1.908 -9.119 417 HD22 ASN 486 HD22 ASN 486 -8.134 1.888 -9.632 418 H TRP 487 H TRP 487 -7.052 1.784 -3.573 419 HA TRP 487 HA TRP 487 -9.641 0.367 -3.675 420 HB2 TRP 487 HB2 TRP 487 -7.617 0.294 -1.416 421 HB3 TRP 487 HB3 TRP 487 -9.269 -0.286 -1.278 422 HD1 TRP 487 HD1 TRP 487 -9.888 -2.513 -2.753 423 HE1 TRP 487 HE1 TRP 487 -8.394 -4.493 -3.437 424 HE3 TRP 487 HE3 TRP 487 -5.309 -0.347 -2.060 425 HZ2 TRP 487 HZ2 TRP 487 -5.631 -5.053 -3.658 426 HZ3 TRP 487 HZ3 TRP 487 -3.294 -1.675 -2.522 427 HH2 TRP 487 HH2 TRP 487 -3.453 -3.981 -3.302 428 H THR 488 H THR 488 -11.319 1.358 -2.536 429 HA THR 488 HA THR 488 -10.615 3.680 -0.835 430 HB THR 488 HB THR 488 -13.139 3.354 -2.487 431 HG1 THR 488 HG1 THR 488 -11.129 4.023 -3.586 432 HG21 THR 488 HG21 THR 488 -12.271 5.599 -0.644 433 HG22 THR 488 HG22 THR 488 -13.614 4.487 -0.369 434 HG23 THR 488 HG23 THR 488 -13.681 5.640 -1.701 435 H VAL 489 H VAL 489 -11.038 3.280 1.242 436 HA VAL 489 HA VAL 489 -13.214 1.448 1.977 437 HB VAL 489 HB VAL 489 -11.762 0.176 3.500 438 HG11 VAL 489 HG11 VAL 489 -10.534 -1.135 1.824 439 HG12 VAL 489 HG12 VAL 489 -10.764 0.158 0.647 440 HG13 VAL 489 HG13 VAL 489 -12.158 -0.726 1.271 441 HG21 VAL 489 HG21 VAL 489 -10.052 1.852 3.939 442 HG22 VAL 489 HG22 VAL 489 -9.491 1.750 2.270 443 HG23 VAL 489 HG23 VAL 489 -9.308 0.367 3.349 444 H SER 490 H SER 490 -13.423 1.344 4.438 445 HA SER 490 HA SER 490 -12.784 3.967 5.647 446 HB2 SER 490 HB2 SER 490 -15.107 2.130 6.326 447 HB3 SER 490 HB3 SER 490 -14.788 3.713 7.040 448 HG SER 490 HG SER 490 -16.222 4.158 5.471 449 H LEU 491 H LEU 491 -11.610 3.974 7.496 450 HA LEU 491 HA LEU 491 -11.252 1.404 8.915 451 HB2 LEU 491 HB2 LEU 491 -9.247 3.626 8.501 452 HB3 LEU 491 HB3 LEU 491 -9.008 2.298 9.621 453 HG LEU 491 HG LEU 491 -9.255 2.080 6.613 454 HD11 LEU 491 HD11 LEU 491 -6.918 1.294 6.760 455 HD12 LEU 491 HD12 LEU 491 -6.920 1.676 8.482 456 HD13 LEU 491 HD13 LEU 491 -7.115 2.963 7.290 457 HD21 LEU 491 HD21 LEU 491 -8.777 -0.301 6.915 458 HD22 LEU 491 HD22 LEU 491 -10.289 0.152 7.701 459 HD23 LEU 491 HD23 LEU 491 -8.832 -0.096 8.666 460 H GLY 492 H GLY 492 -12.070 1.392 10.894 461 HA2 GLY 492 HA2 GLY 492 -12.942 3.834 12.168 462 HA3 GLY 492 HA3 GLY 492 -13.168 2.200 12.768 463 HA PRO 493 HA PRO 493 -10.002 4.412 15.434 464 HB2 PRO 493 HB2 PRO 493 -11.536 3.090 17.586 465 HB3 PRO 493 HB3 PRO 493 -11.033 4.770 17.442 466 HG2 PRO 493 HG2 PRO 493 -13.600 4.047 17.131 467 HG3 PRO 493 HG3 PRO 493 -12.878 5.363 16.183 468 HD2 PRO 493 HD2 PRO 493 -13.453 2.533 15.372 469 HD3 PRO 493 HD3 PRO 493 -13.661 4.037 14.447 470 H LYS 494 H LYS 494 -8.189 3.215 15.136 471 HA LYS 494 HA LYS 494 -6.633 1.576 15.318 472 HB2 LYS 494 HB2 LYS 494 -8.420 0.674 17.588 473 HB3 LYS 494 HB3 LYS 494 -6.831 -0.006 17.255 474 HG2 LYS 494 HG2 LYS 494 -5.793 2.160 17.635 475 HG3 LYS 494 HG3 LYS 494 -7.375 2.895 17.891 476 HD2 LYS 494 HD2 LYS 494 -7.721 1.532 19.874 477 HD3 LYS 494 HD3 LYS 494 -6.193 0.695 19.595 478 HE2 LYS 494 HE2 LYS 494 -4.971 2.784 19.917 479 HE3 LYS 494 HE3 LYS 494 -6.490 3.654 20.139 480 HZ1 LYS 494 HZ1 LYS 494 -6.908 2.444 22.133 481 HZ2 LYS 494 HZ2 LYS 494 -5.347 3.082 22.233 482 HZ3 LYS 494 HZ3 LYS 494 -5.569 1.441 21.888 483 H GLU 495 H GLU 495 -8.654 1.295 13.415 484 HA GLU 495 HA GLU 495 -9.478 -1.487 13.268 485 HB2 GLU 495 HB2 GLU 495 -10.837 0.490 12.441 486 HB3 GLU 495 HB3 GLU 495 -9.661 0.668 11.149 487 HG2 GLU 495 HG2 GLU 495 -11.388 -0.515 10.155 488 HG3 GLU 495 HG3 GLU 495 -10.221 -1.771 10.567 489 H GLU 496 H GLU 496 -8.704 -3.022 11.744 490 HA GLU 496 HA GLU 496 -6.552 -2.152 9.930 491 HB2 GLU 496 HB2 GLU 496 -5.518 -3.285 11.893 492 HB3 GLU 496 HB3 GLU 496 -6.442 -4.733 11.511 493 HG2 GLU 496 HG2 GLU 496 -5.314 -4.833 9.310 494 HG3 GLU 496 HG3 GLU 496 -4.342 -3.437 9.768 495 H LYS 497 H LYS 497 -6.479 -3.159 7.947 496 HA LYS 497 HA LYS 497 -8.275 -5.414 7.386 497 HB2 LYS 497 HB2 LYS 497 -8.308 -2.762 5.945 498 HB3 LYS 497 HB3 LYS 497 -8.905 -4.239 5.195 499 HG2 LYS 497 HG2 LYS 497 -10.546 -4.513 6.940 500 HG3 LYS 497 HG3 LYS 497 -9.911 -3.109 7.798 501 HD2 LYS 497 HD2 LYS 497 -10.610 -1.640 6.011 502 HD3 LYS 497 HD3 LYS 497 -11.108 -3.021 5.025 503 HE2 LYS 497 HE2 LYS 497 -12.850 -3.578 6.547 504 HE3 LYS 497 HE3 LYS 497 -12.254 -2.427 7.736 505 HZ1 LYS 497 HZ1 LYS 497 -13.334 -1.669 5.079 506 HZ2 LYS 497 HZ2 LYS 497 -12.897 -0.618 6.331 507 HZ3 LYS 497 HZ3 LYS 497 -14.229 -1.643 6.513 508 H VAL 498 H VAL 498 -7.584 -6.756 5.651 509 HA VAL 498 HA VAL 498 -4.848 -6.177 4.683 510 HB VAL 498 HB VAL 498 -6.169 -8.893 4.921 511 HG11 VAL 498 HG11 VAL 498 -3.308 -8.124 4.304 512 HG12 VAL 498 HG12 VAL 498 -4.474 -8.796 3.163 513 HG13 VAL 498 HG13 VAL 498 -3.909 -9.769 4.519 514 HG21 VAL 498 HG21 VAL 498 -4.678 -9.262 6.835 515 HG22 VAL 498 HG22 VAL 498 -5.778 -7.915 7.130 516 HG23 VAL 498 HG23 VAL 498 -4.095 -7.602 6.705 517 H LEU 499 H LEU 499 -4.802 -5.497 2.651 518 HA LEU 499 HA LEU 499 -6.815 -6.481 0.719 519 HB2 LEU 499 HB2 LEU 499 -5.155 -3.980 0.403 520 HB3 LEU 499 HB3 LEU 499 -6.657 -4.400 -0.406 521 HG LEU 499 HG LEU 499 -6.379 -3.654 2.519 522 HD11 LEU 499 HD11 LEU 499 -7.540 -2.105 0.206 523 HD12 LEU 499 HD12 LEU 499 -6.038 -1.746 1.059 524 HD13 LEU 499 HD13 LEU 499 -7.582 -1.614 1.900 525 HD21 LEU 499 HD21 LEU 499 -8.216 -5.247 2.155 526 HD22 LEU 499 HD22 LEU 499 -8.889 -4.185 0.917 527 HD23 LEU 499 HD23 LEU 499 -8.816 -3.649 2.598 528 H THR 500 H THR 500 -6.066 -7.664 -1.039 529 HA THR 500 HA THR 500 -3.123 -7.849 -1.342 530 HB THR 500 HB THR 500 -3.428 -10.118 -2.230 531 HG1 THR 500 HG1 THR 500 -5.397 -10.342 -3.054 532 HG21 THR 500 HG21 THR 500 -3.042 -9.856 0.168 533 HG22 THR 500 HG22 THR 500 -4.081 -11.242 -0.160 534 HG23 THR 500 HG23 THR 500 -4.780 -9.738 0.445 535 H PHE 501 H PHE 501 -2.273 -8.395 -3.441 536 HA PHE 501 HA PHE 501 -3.997 -8.172 -5.764 537 HB2 PHE 501 HB2 PHE 501 -2.613 -6.443 -6.863 538 HB3 PHE 501 HB3 PHE 501 -3.420 -5.834 -5.426 539 HD1 PHE 501 HD1 PHE 501 -2.126 -5.362 -3.379 540 HD2 PHE 501 HD2 PHE 501 -0.218 -6.531 -7.007 541 HE1 PHE 501 HE1 PHE 501 0.020 -4.515 -2.525 542 HE2 PHE 501 HE2 PHE 501 1.928 -5.687 -6.154 543 HZ PHE 501 HZ PHE 501 2.050 -4.674 -3.911 544 H SER 502 H SER 502 -3.097 -9.093 -7.656 545 HA SER 502 HA SER 502 -0.609 -10.628 -7.202 546 HB2 SER 502 HB2 SER 502 -1.519 -12.329 -8.760 547 HB3 SER 502 HB3 SER 502 -2.552 -12.103 -7.352 548 HG SER 502 HG SER 502 -4.082 -11.755 -8.732 549 H TRP 503 H TRP 503 1.042 -9.942 -8.357 550 HA TRP 503 HA TRP 503 0.569 -8.403 -10.826 551 HB2 TRP 503 HB2 TRP 503 1.593 -7.089 -9.080 552 HB3 TRP 503 HB3 TRP 503 2.813 -8.320 -8.797 553 HD1 TRP 503 HD1 TRP 503 1.818 -6.594 -12.151 554 HE1 TRP 503 HE1 TRP 503 3.958 -5.573 -13.161 555 HE3 TRP 503 HE3 TRP 503 5.113 -7.748 -8.415 556 HZ2 TRP 503 HZ2 TRP 503 6.673 -5.280 -12.455 557 HZ3 TRP 503 HZ3 TRP 503 7.460 -7.057 -8.657 558 HH2 TRP 503 HH2 TRP 503 8.224 -5.847 -10.637 559 H THR 504 H THR 504 1.514 -8.977 -12.723 560 HA THR 504 HA THR 504 3.492 -11.182 -12.712 561 HB THR 504 HB THR 504 1.256 -10.763 -14.718 562 HG1 THR 504 HG1 THR 504 1.513 -12.274 -12.462 563 HG21 THR 504 HG21 THR 504 3.446 -12.852 -14.690 564 HG22 THR 504 HG22 THR 504 3.307 -11.518 -15.836 565 HG23 THR 504 HG23 THR 504 2.090 -12.793 -15.817 566 HA PRO 505 HA PRO 505 5.559 -7.820 -15.006 567 HB2 PRO 505 HB2 PRO 505 8.067 -8.387 -14.247 568 HB3 PRO 505 HB3 PRO 505 6.927 -7.599 -13.151 569 HG2 PRO 505 HG2 PRO 505 7.771 -10.470 -13.257 570 HG3 PRO 505 HG3 PRO 505 7.512 -9.431 -11.844 571 HD2 PRO 505 HD2 PRO 505 5.671 -11.261 -12.808 572 HD3 PRO 505 HD3 PRO 505 5.261 -9.851 -11.809 573 H THR 506 H THR 506 5.257 -8.494 -17.135 574 HA THR 506 HA THR 506 6.514 -10.864 -18.198 575 HB THR 506 HB THR 506 5.718 -10.121 -20.390 576 HG1 THR 506 HG1 THR 506 5.731 -7.996 -20.585 577 HG21 THR 506 HG21 THR 506 3.309 -10.087 -19.929 578 HG22 THR 506 HG22 THR 506 3.631 -9.712 -18.235 579 HG23 THR 506 HG23 THR 506 4.131 -11.265 -18.906 580 H GLN 507 H GLN 507 7.424 -7.553 -17.788 581 HA GLN 507 HA GLN 507 9.816 -7.959 -19.471 582 HB2 GLN 507 HB2 GLN 507 8.553 -5.992 -20.100 583 HB3 GLN 507 HB3 GLN 507 8.540 -5.415 -18.439 584 HG2 GLN 507 HG2 GLN 507 10.913 -5.021 -18.497 585 HG3 GLN 507 HG3 GLN 507 11.039 -5.763 -20.091 586 HE21 GLN 507 HE21 GLN 507 11.960 -3.879 -20.924 587 HE22 GLN 507 HE22 GLN 507 11.014 -2.471 -21.254 588 H GLU 508 H GLU 508 11.718 -8.267 -18.530 589 HA GLU 508 HA GLU 508 11.992 -8.425 -15.705 590 HB2 GLU 508 HB2 GLU 508 14.255 -9.135 -16.111 591 HB3 GLU 508 HB3 GLU 508 13.209 -9.885 -17.304 592 HG2 GLU 508 HG2 GLU 508 15.003 -7.502 -17.773 593 HG3 GLU 508 HG3 GLU 508 15.324 -9.158 -18.276 594 H GLY 509 H GLY 509 13.379 -7.247 -14.297 595 HA2 GLY 509 HA2 GLY 509 15.076 -5.207 -14.673 596 HA3 GLY 509 HA3 GLY 509 13.534 -4.408 -14.942 597 H MET 510 H MET 510 14.572 -3.171 -13.050 598 HA MET 510 HA MET 510 14.048 -4.472 -10.467 599 HB2 MET 510 HB2 MET 510 16.221 -3.169 -11.068 600 HB3 MET 510 HB3 MET 510 15.248 -1.729 -10.795 601 HG2 MET 510 HG2 MET 510 16.483 -2.295 -8.802 602 HG3 MET 510 HG3 MET 510 14.754 -2.518 -8.520 603 HE1 MET 510 HE1 MET 510 16.323 -5.354 -6.344 604 HE2 MET 510 HE2 MET 510 15.262 -3.947 -6.368 605 HE3 MET 510 HE3 MET 510 16.998 -3.749 -6.620 606 H TYR 511 H TYR 511 12.270 -3.956 -9.259 607 HA TYR 511 HA TYR 511 10.728 -1.551 -10.007 608 HB2 TYR 511 HB2 TYR 511 9.595 -4.337 -9.643 609 HB3 TYR 511 HB3 TYR 511 8.634 -2.878 -9.850 610 HD1 TYR 511 HD1 TYR 511 10.821 -5.307 -11.520 611 HD2 TYR 511 HD2 TYR 511 8.462 -1.799 -12.032 612 HE1 TYR 511 HE1 TYR 511 10.910 -5.609 -13.956 613 HE2 TYR 511 HE2 TYR 511 8.554 -2.092 -14.472 614 HH TYR 511 HH TYR 511 9.726 -4.975 -15.943 615 H ARG 512 H ARG 512 10.697 -0.317 -8.227 616 HA ARG 512 HA ARG 512 10.446 -1.536 -5.579 617 HB2 ARG 512 HB2 ARG 512 12.087 0.289 -5.922 618 HB3 ARG 512 HB3 ARG 512 10.776 1.379 -6.355 619 HG2 ARG 512 HG2 ARG 512 9.852 1.218 -4.122 620 HG3 ARG 512 HG3 ARG 512 11.068 0.021 -3.674 621 HD2 ARG 512 HD2 ARG 512 11.689 2.194 -2.800 622 HD3 ARG 512 HD3 ARG 512 12.834 1.702 -4.048 623 HE ARG 512 HE ARG 512 10.668 3.392 -4.960 624 HH11 ARG 512 HH11 ARG 512 13.888 3.272 -3.740 625 HH12 ARG 512 HH12 ARG 512 14.294 4.830 -4.363 626 HH21 ARG 512 HH21 ARG 512 11.205 5.392 -5.747 627 HH22 ARG 512 HH22 ARG 512 12.804 6.011 -5.496 628 H ILE 513 H ILE 513 8.502 -1.874 -4.718 629 HA ILE 513 HA ILE 513 6.160 -0.497 -5.815 630 HB ILE 513 HB ILE 513 6.343 -2.884 -3.957 631 HG12 ILE 513 HG12 ILE 513 5.655 -2.706 -6.906 632 HG13 ILE 513 HG13 ILE 513 7.145 -3.360 -6.234 633 HG21 ILE 513 HG21 ILE 513 3.944 -3.167 -4.351 634 HG22 ILE 513 HG22 ILE 513 3.919 -1.684 -5.305 635 HG23 ILE 513 HG23 ILE 513 4.285 -1.618 -3.580 636 HD11 ILE 513 HD11 ILE 513 4.386 -4.498 -5.820 637 HD12 ILE 513 HD12 ILE 513 5.892 -5.159 -5.179 638 HD13 ILE 513 HD13 ILE 513 5.616 -5.122 -6.921 639 H ASN 514 H ASN 514 5.128 1.076 -4.750 640 HA ASN 514 HA ASN 514 5.553 1.364 -1.837 641 HB2 ASN 514 HB2 ASN 514 5.193 3.556 -3.900 642 HB3 ASN 514 HB3 ASN 514 5.231 3.817 -2.159 643 HD21 ASN 514 HD21 ASN 514 7.185 3.533 -1.049 644 HD22 ASN 514 HD22 ASN 514 8.696 3.551 -1.877 645 H ALA 515 H ALA 515 3.778 2.127 -0.597 646 HA ALA 515 HA ALA 515 1.154 2.108 -1.955 647 HB1 ALA 515 HB1 ALA 515 1.479 -0.027 -0.775 648 HB2 ALA 515 HB2 ALA 515 0.161 0.918 -0.081 649 HB3 ALA 515 HB3 ALA 515 1.725 0.852 0.733 650 H THR 516 H THR 516 -0.211 3.714 -1.414 651 HA THR 516 HA THR 516 0.498 5.476 0.861 652 HB THR 516 HB THR 516 -0.499 7.373 -0.477 653 HG1 THR 516 HG1 THR 516 -1.654 6.061 -1.995 654 HG21 THR 516 HG21 THR 516 1.911 6.003 -1.690 655 HG22 THR 516 HG22 THR 516 1.926 7.120 -0.326 656 HG23 THR 516 HG23 THR 516 1.468 7.693 -1.930 657 H VAL 517 H VAL 517 -1.194 6.305 2.095 658 HA VAL 517 HA VAL 517 -3.920 5.494 1.304 659 HB VAL 517 HB VAL 517 -3.285 4.340 3.332 660 HG11 VAL 517 HG11 VAL 517 -2.690 5.514 5.388 661 HG12 VAL 517 HG12 VAL 517 -2.749 7.055 4.535 662 HG13 VAL 517 HG13 VAL 517 -1.529 5.857 4.104 663 HG21 VAL 517 HG21 VAL 517 -5.607 5.050 3.151 664 HG22 VAL 517 HG22 VAL 517 -5.219 6.588 3.923 665 HG23 VAL 517 HG23 VAL 517 -5.082 5.084 4.834 666 H ASP 518 H ASP 518 -5.555 6.992 1.354 667 HA ASP 518 HA ASP 518 -6.383 9.014 0.722 668 HB2 ASP 518 HB2 ASP 518 -6.689 9.014 3.195 669 HB3 ASP 518 HB3 ASP 518 -5.176 9.901 3.353 670 H GLU 519 H GLU 519 -4.763 9.063 -1.025 671 HA GLU 519 HA GLU 519 -2.337 10.484 -0.861 672 HB2 GLU 519 HB2 GLU 519 -4.091 10.082 -3.292 673 HB3 GLU 519 HB3 GLU 519 -2.405 10.559 -3.322 674 HG2 GLU 519 HG2 GLU 519 -2.434 8.278 -3.860 675 HG3 GLU 519 HG3 GLU 519 -1.901 8.355 -2.183 676 H GLU 520 H GLU 520 -5.618 11.560 -1.436 677 HA GLU 520 HA GLU 520 -5.001 14.144 -2.442 678 HB2 GLU 520 HB2 GLU 520 -7.503 13.138 -1.080 679 HB3 GLU 520 HB3 GLU 520 -7.371 14.657 -1.954 680 HG2 GLU 520 HG2 GLU 520 -6.875 13.417 -4.013 681 HG3 GLU 520 HG3 GLU 520 -7.043 11.902 -3.127 682 H ASN 521 H ASN 521 -4.757 12.885 0.713 683 HA ASN 521 HA ASN 521 -4.458 13.781 2.785 684 HB2 ASN 521 HB2 ASN 521 -2.614 14.919 1.478 685 HB3 ASN 521 HB3 ASN 521 -3.676 16.314 1.312 686 HD21 ASN 521 HD21 ASN 521 -4.121 17.568 3.131 687 HD22 ASN 521 HD22 ASN 521 -3.167 17.470 4.566 688 H THR 522 H THR 522 -7.002 13.664 2.365 689 HA THR 522 HA THR 522 -8.329 16.251 2.535 690 HB THR 522 HB THR 522 -10.425 15.003 2.612 691 HG1 THR 522 HG1 THR 522 -8.874 12.598 2.540 692 HG21 THR 522 HG21 THR 522 -10.309 13.861 0.450 693 HG22 THR 522 HG22 THR 522 -8.548 13.829 0.549 694 HG23 THR 522 HG23 THR 522 -9.395 15.369 0.406 695 H VAL 523 H VAL 523 -7.409 13.621 4.647 696 HA VAL 523 HA VAL 523 -8.581 15.056 6.948 697 HB VAL 523 HB VAL 523 -9.497 12.815 6.674 698 HG11 VAL 523 HG11 VAL 523 -7.670 11.748 5.480 699 HG12 VAL 523 HG12 VAL 523 -8.107 10.806 6.907 700 HG13 VAL 523 HG13 VAL 523 -6.660 11.815 6.924 701 HG21 VAL 523 HG21 VAL 523 -9.049 11.929 8.913 702 HG22 VAL 523 HG22 VAL 523 -9.252 13.682 8.938 703 HG23 VAL 523 HG23 VAL 523 -7.638 12.980 9.049 704 H VAL 524 H VAL 524 -7.300 15.517 8.751 705 HA VAL 524 HA VAL 524 -4.442 15.676 8.173 706 HB VAL 524 HB VAL 524 -5.998 16.854 10.494 707 HG11 VAL 524 HG11 VAL 524 -3.623 16.568 11.007 708 HG12 VAL 524 HG12 VAL 524 -4.027 18.274 10.831 709 HG13 VAL 524 HG13 VAL 524 -3.188 17.428 9.530 710 HG21 VAL 524 HG21 VAL 524 -5.095 18.118 7.898 711 HG22 VAL 524 HG22 VAL 524 -5.803 18.988 9.262 712 HG23 VAL 524 HG23 VAL 524 -6.760 17.792 8.385 713 H GLU 525 H GLU 525 -3.172 14.046 8.783 714 HA GLU 525 HA GLU 525 -3.966 12.265 10.949 715 HB2 GLU 525 HB2 GLU 525 -1.596 12.058 9.074 716 HB3 GLU 525 HB3 GLU 525 -2.197 10.794 10.140 717 HG2 GLU 525 HG2 GLU 525 -3.582 11.947 7.726 718 HG3 GLU 525 HG3 GLU 525 -2.892 10.333 7.891 719 H LEU 526 H LEU 526 -2.352 11.492 12.511 720 HA LEU 526 HA LEU 526 -0.963 13.610 13.841 721 HB2 LEU 526 HB2 LEU 526 -0.841 10.616 14.261 722 HB3 LEU 526 HB3 LEU 526 -0.209 11.817 15.373 723 HG LEU 526 HG LEU 526 -3.131 11.581 14.629 724 HD11 LEU 526 HD11 LEU 526 -3.439 10.569 16.842 725 HD12 LEU 526 HD12 LEU 526 -1.689 10.541 17.068 726 HD13 LEU 526 HD13 LEU 526 -2.431 9.570 15.794 727 HD21 LEU 526 HD21 LEU 526 -1.696 13.160 16.764 728 HD22 LEU 526 HD22 LEU 526 -3.448 12.995 16.633 729 HD23 LEU 526 HD23 LEU 526 -2.542 13.802 15.355 730 H ASN 527 H ASN 527 0.035 10.868 11.849 731 HA ASN 527 HA ASN 527 2.691 12.123 11.528 732 HB2 ASN 527 HB2 ASN 527 2.757 10.072 12.982 733 HB3 ASN 527 HB3 ASN 527 2.147 9.139 11.622 734 HD21 ASN 527 HD21 ASN 527 4.587 8.707 12.982 735 HD22 ASN 527 HD22 ASN 527 5.867 8.941 11.847 736 H GLU 528 H GLU 528 2.770 12.863 9.461 737 HA GLU 528 HA GLU 528 1.093 11.667 7.411 738 HB2 GLU 528 HB2 GLU 528 1.862 13.493 5.970 739 HB3 GLU 528 HB3 GLU 528 1.274 14.102 7.510 740 HG2 GLU 528 HG2 GLU 528 3.497 14.497 8.290 741 HG3 GLU 528 HG3 GLU 528 4.189 13.669 6.894 742 H ASN 529 H ASN 529 4.400 11.506 8.402 743 HA ASN 529 HA ASN 529 5.446 10.434 5.943 744 HB2 ASN 529 HB2 ASN 529 6.543 10.262 8.767 745 HB3 ASN 529 HB3 ASN 529 7.432 9.882 7.296 746 HD21 ASN 529 HD21 ASN 529 6.310 12.098 5.782 747 HD22 ASN 529 HD22 ASN 529 7.059 13.526 6.398 748 H ASN 530 H ASN 530 3.444 9.202 8.352 749 HA ASN 530 HA ASN 530 4.345 6.443 8.214 750 HB2 ASN 530 HB2 ASN 530 3.326 7.745 10.253 751 HB3 ASN 530 HB3 ASN 530 1.783 7.340 9.514 752 HD21 ASN 530 HD21 ASN 530 1.238 6.085 11.308 753 HD22 ASN 530 HD22 ASN 530 1.950 4.534 11.574 754 H ASN 531 H ASN 531 2.261 8.452 6.444 755 HA ASN 531 HA ASN 531 0.182 6.646 5.739 756 HB2 ASN 531 HB2 ASN 531 1.213 9.167 4.427 757 HB3 ASN 531 HB3 ASN 531 -0.214 8.303 3.866 758 HD21 ASN 531 HD21 ASN 531 -2.113 8.675 4.861 759 HD22 ASN 531 HD22 ASN 531 -2.314 9.665 6.259 760 H VAL 532 H VAL 532 3.441 6.690 4.748 761 HA VAL 532 HA VAL 532 2.796 5.341 2.195 762 HB VAL 532 HB VAL 532 5.293 6.926 2.848 763 HG11 VAL 532 HG11 VAL 532 4.409 5.660 0.246 764 HG12 VAL 532 HG12 VAL 532 5.726 5.098 1.275 765 HG13 VAL 532 HG13 VAL 532 5.845 6.663 0.471 766 HG21 VAL 532 HG21 VAL 532 4.439 8.583 1.255 767 HG22 VAL 532 HG22 VAL 532 3.333 8.373 2.611 768 HG23 VAL 532 HG23 VAL 532 2.965 7.638 1.052 769 H ALA 533 H ALA 533 3.529 3.330 1.860 770 HA ALA 533 HA ALA 533 5.626 2.236 3.640 771 HB1 ALA 533 HB1 ALA 533 3.435 0.755 2.176 772 HB2 ALA 533 HB2 ALA 533 3.508 1.066 3.912 773 HB3 ALA 533 HB3 ALA 533 4.698 0.007 3.155 774 H THR 534 H THR 534 7.356 1.136 2.724 775 HA THR 534 HA THR 534 7.581 1.280 -0.224 776 HB THR 534 HB THR 534 9.790 1.863 1.770 777 HG1 THR 534 HG1 THR 534 9.600 4.009 0.844 778 HG21 THR 534 HG21 THR 534 9.788 2.033 -1.253 779 HG22 THR 534 HG22 THR 534 10.625 0.812 -0.293 780 HG23 THR 534 HG23 THR 534 11.115 2.502 -0.191 781 H PHE 535 H PHE 535 8.001 -0.614 -1.160 782 HA PHE 535 HA PHE 535 9.740 -2.545 0.212 783 HB2 PHE 535 HB2 PHE 535 7.382 -3.264 0.539 784 HB3 PHE 535 HB3 PHE 535 7.174 -3.314 -1.209 785 HD1 PHE 535 HD1 PHE 535 9.261 -4.735 1.529 786 HD2 PHE 535 HD2 PHE 535 7.631 -5.293 -2.368 787 HE1 PHE 535 HE1 PHE 535 10.094 -7.049 1.513 788 HE2 PHE 535 HE2 PHE 535 8.467 -7.605 -2.383 789 HZ PHE 535 HZ PHE 535 9.699 -8.485 -0.447 790 H ASP 536 H ASP 536 11.366 -3.158 -1.055 791 HA ASP 536 HA ASP 536 11.347 -2.350 -3.866 792 HB2 ASP 536 HB2 ASP 536 13.177 -1.568 -2.471 793 HB3 ASP 536 HB3 ASP 536 13.564 -3.216 -1.996 794 H VAL 537 H VAL 537 11.278 -3.765 -5.536 795 HA VAL 537 HA VAL 537 11.566 -6.654 -4.963 796 HB VAL 537 HB VAL 537 9.581 -5.392 -6.876 797 HG11 VAL 537 HG11 VAL 537 9.977 -8.290 -6.103 798 HG12 VAL 537 HG12 VAL 537 10.350 -7.566 -7.667 799 HG13 VAL 537 HG13 VAL 537 8.676 -7.665 -7.122 800 HG21 VAL 537 HG21 VAL 537 9.130 -6.713 -4.195 801 HG22 VAL 537 HG22 VAL 537 7.858 -6.215 -5.312 802 HG23 VAL 537 HG23 VAL 537 8.909 -5.006 -4.577 803 H SER 538 H SER 538 12.606 -7.916 -6.472 804 HA SER 538 HA SER 538 13.772 -6.530 -8.815 805 HB2 SER 538 HB2 SER 538 15.445 -7.127 -7.057 806 HB3 SER 538 HB3 SER 538 15.009 -8.822 -7.263 807 HG SER 538 HG SER 538 16.386 -7.100 -9.003 808 H VAL 539 H VAL 539 13.263 -7.358 -10.772 809 HA VAL 539 HA VAL 539 11.995 -10.022 -10.884 810 HB VAL 539 HB VAL 539 11.890 -7.777 -12.916 811 HG11 VAL 539 HG11 VAL 539 11.677 -9.934 -14.005 812 HG12 VAL 539 HG12 VAL 539 10.109 -9.125 -13.979 813 HG13 VAL 539 HG13 VAL 539 10.446 -10.432 -12.842 814 HG21 VAL 539 HG21 VAL 539 10.678 -7.206 -10.881 815 HG22 VAL 539 HG22 VAL 539 9.798 -8.735 -10.955 816 HG23 VAL 539 HG23 VAL 539 9.553 -7.514 -12.204 817 H VAL 540 H VAL 540 13.064 -11.672 -11.786 818 HA VAL 540 HA VAL 540 15.453 -11.080 -13.429 819 HB VAL 540 HB VAL 540 16.416 -13.196 -12.597 820 HG11 VAL 540 HG11 VAL 540 16.975 -11.096 -11.484 821 HG12 VAL 540 HG12 VAL 540 16.933 -12.427 -10.329 822 HG13 VAL 540 HG13 VAL 540 15.591 -11.285 -10.405 823 HG21 VAL 540 HG21 VAL 540 15.395 -14.354 -10.688 824 HG22 VAL 540 HG22 VAL 540 14.340 -14.395 -12.101 825 HG23 VAL 540 HG23 VAL 540 13.999 -13.280 -10.777 826 H LEU 541 H LEU 541 16.097 -12.728 -14.998 827 HA LEU 541 HA LEU 541 13.845 -13.791 -16.488 828 HB2 LEU 541 HB2 LEU 541 16.821 -13.862 -17.011 829 HB3 LEU 541 HB3 LEU 541 15.612 -14.498 -18.114 830 HG LEU 541 HG LEU 541 15.870 -11.602 -17.277 831 HD11 LEU 541 HD11 LEU 541 16.599 -11.218 -19.581 832 HD12 LEU 541 HD12 LEU 541 16.530 -12.952 -19.898 833 HD13 LEU 541 HD13 LEU 541 17.696 -12.311 -18.741 834 HD21 LEU 541 HD21 LEU 541 13.553 -12.192 -17.731 835 HD22 LEU 541 HD22 LEU 541 14.019 -12.922 -19.269 836 HD23 LEU 541 HD23 LEU 541 14.194 -11.183 -19.027 837 H GLU 542 H GLU 542 16.043 -14.967 -14.163 838 HA GLU 542 HA GLU 542 15.731 -17.771 -14.903 839 HB2 GLU 542 HB2 GLU 542 17.152 -18.109 -12.790 840 HB3 GLU 542 HB3 GLU 542 17.906 -17.296 -14.156 841 HG2 GLU 542 HG2 GLU 542 17.551 -15.136 -13.096 842 HG3 GLU 542 HG3 GLU 542 16.727 -15.914 -11.747 Start of MODEL 16 1 H1 MET 435 H1 MET 435 -11.075 18.298 19.141 2 H2 MET 435 H2 MET 435 -12.211 17.057 18.972 3 H3 MET 435 H3 MET 435 -12.618 18.637 18.531 4 HA MET 435 HA MET 435 -12.189 17.281 16.584 5 HB2 MET 435 HB2 MET 435 -11.682 19.714 16.570 6 HB3 MET 435 HB3 MET 435 -10.035 19.359 17.069 7 HG2 MET 435 HG2 MET 435 -9.681 18.118 14.978 8 HG3 MET 435 HG3 MET 435 -11.324 18.515 14.477 9 HE1 MET 435 HE1 MET 435 -9.197 20.772 12.103 10 HE2 MET 435 HE2 MET 435 -10.470 19.557 12.206 11 HE3 MET 435 HE3 MET 435 -8.814 19.136 12.640 12 H GLU 436 H GLU 436 -11.386 15.294 16.248 13 HA GLU 436 HA GLU 436 -8.874 14.515 17.535 14 HB2 GLU 436 HB2 GLU 436 -10.953 12.817 16.141 15 HB3 GLU 436 HB3 GLU 436 -9.548 12.206 17.000 16 HG2 GLU 436 HG2 GLU 436 -11.495 11.950 18.370 17 HG3 GLU 436 HG3 GLU 436 -10.446 13.169 19.089 18 H PHE 437 H PHE 437 -7.122 13.642 16.456 19 HA PHE 437 HA PHE 437 -7.183 13.776 13.505 20 HB2 PHE 437 HB2 PHE 437 -4.734 14.149 15.250 21 HB3 PHE 437 HB3 PHE 437 -4.841 14.370 13.508 22 HD1 PHE 437 HD1 PHE 437 -6.441 16.194 12.652 23 HD2 PHE 437 HD2 PHE 437 -5.058 15.977 16.676 24 HE1 PHE 437 HE1 PHE 437 -6.986 18.570 12.967 25 HE2 PHE 437 HE2 PHE 437 -5.608 18.353 16.992 26 HZ PHE 437 HZ PHE 437 -6.570 19.654 15.137 27 HA PRO 438 HA PRO 438 -6.423 9.366 14.118 28 HB2 PRO 438 HB2 PRO 438 -6.794 8.612 11.554 29 HB3 PRO 438 HB3 PRO 438 -8.140 9.019 12.623 30 HG2 PRO 438 HG2 PRO 438 -6.807 10.711 10.539 31 HG3 PRO 438 HG3 PRO 438 -8.537 10.502 10.865 32 HD2 PRO 438 HD2 PRO 438 -7.120 12.645 11.757 33 HD3 PRO 438 HD3 PRO 438 -8.514 11.981 12.634 34 H ASP 439 H ASP 439 -4.958 7.745 13.176 35 HA ASP 439 HA ASP 439 -2.646 8.876 11.738 36 HB2 ASP 439 HB2 ASP 439 -2.088 8.569 14.127 37 HB3 ASP 439 HB3 ASP 439 -2.554 6.876 14.018 38 H LEU 440 H LEU 440 -3.142 8.040 9.749 39 HA LEU 440 HA LEU 440 -3.931 5.230 9.516 40 HB2 LEU 440 HB2 LEU 440 -3.796 7.406 7.421 41 HB3 LEU 440 HB3 LEU 440 -4.428 5.788 7.168 42 HG LEU 440 HG LEU 440 -5.615 7.860 9.033 43 HD11 LEU 440 HD11 LEU 440 -5.902 8.425 6.662 44 HD12 LEU 440 HD12 LEU 440 -7.432 8.001 7.428 45 HD13 LEU 440 HD13 LEU 440 -6.621 6.840 6.376 46 HD21 LEU 440 HD21 LEU 440 -6.003 5.604 9.859 47 HD22 LEU 440 HD22 LEU 440 -6.593 5.105 8.273 48 HD23 LEU 440 HD23 LEU 440 -7.499 6.285 9.219 49 H THR 441 H THR 441 -2.355 3.771 9.306 50 HA THR 441 HA THR 441 0.063 4.502 7.764 51 HB THR 441 HB THR 441 0.677 4.357 10.094 52 HG1 THR 441 HG1 THR 441 2.373 3.521 9.131 53 HG21 THR 441 HG21 THR 441 -1.157 2.975 10.918 54 HG22 THR 441 HG22 THR 441 0.395 2.293 11.399 55 HG23 THR 441 HG23 THR 441 -0.507 1.575 10.062 56 H VAL 442 H VAL 442 1.136 2.793 6.637 57 HA VAL 442 HA VAL 442 -0.550 0.442 6.050 58 HB VAL 442 HB VAL 442 -0.039 0.630 3.664 59 HG11 VAL 442 HG11 VAL 442 -1.452 2.530 3.121 60 HG12 VAL 442 HG12 VAL 442 -1.200 3.206 4.731 61 HG13 VAL 442 HG13 VAL 442 -2.082 1.693 4.540 62 HG21 VAL 442 HG21 VAL 442 1.325 3.232 4.379 63 HG22 VAL 442 HG22 VAL 442 1.018 2.648 2.742 64 HG23 VAL 442 HG23 VAL 442 2.117 1.765 3.802 65 H GLU 443 H GLU 443 0.529 -1.438 5.405 66 HA GLU 443 HA GLU 443 3.485 -1.432 5.532 67 HB2 GLU 443 HB2 GLU 443 1.616 -3.486 6.731 68 HB3 GLU 443 HB3 GLU 443 3.354 -3.655 6.648 69 HG2 GLU 443 HG2 GLU 443 3.632 -1.730 8.113 70 HG3 GLU 443 HG3 GLU 443 1.881 -1.518 8.177 71 H ILE 444 H ILE 444 4.538 -2.828 4.101 72 HA ILE 444 HA ILE 444 2.817 -4.270 2.171 73 HB ILE 444 HB ILE 444 5.574 -3.124 1.642 74 HG12 ILE 444 HG12 ILE 444 2.851 -2.148 0.716 75 HG13 ILE 444 HG13 ILE 444 3.885 -1.346 1.893 76 HG21 ILE 444 HG21 ILE 444 5.114 -3.699 -0.705 77 HG22 ILE 444 HG22 ILE 444 3.582 -4.430 -0.226 78 HG23 ILE 444 HG23 ILE 444 5.105 -5.128 0.327 79 HD11 ILE 444 HD11 ILE 444 5.571 -0.974 0.171 80 HD12 ILE 444 HD12 ILE 444 4.018 -0.273 -0.282 81 HD13 ILE 444 HD13 ILE 444 4.547 -1.788 -1.014 82 H LYS 445 H LYS 445 3.082 -6.409 2.011 83 HA LYS 445 HA LYS 445 5.634 -7.630 2.847 84 HB2 LYS 445 HB2 LYS 445 3.993 -7.883 4.681 85 HB3 LYS 445 HB3 LYS 445 2.871 -8.658 3.570 86 HG2 LYS 445 HG2 LYS 445 4.054 -10.268 5.011 87 HG3 LYS 445 HG3 LYS 445 4.373 -10.538 3.294 88 HD2 LYS 445 HD2 LYS 445 6.512 -9.350 3.508 89 HD3 LYS 445 HD3 LYS 445 6.190 -9.074 5.221 90 HE2 LYS 445 HE2 LYS 445 6.252 -11.458 5.649 91 HE3 LYS 445 HE3 LYS 445 6.445 -11.792 3.928 92 HZ1 LYS 445 HZ1 LYS 445 8.548 -11.907 5.106 93 HZ2 LYS 445 HZ2 LYS 445 8.377 -10.307 5.623 94 HZ3 LYS 445 HZ3 LYS 445 8.564 -10.645 3.980 95 H GLY 446 H GLY 446 6.371 -9.265 1.498 96 HA2 GLY 446 HA2 GLY 446 4.907 -11.079 0.048 97 HA3 GLY 446 HA3 GLY 446 4.991 -9.675 -0.998 98 HA PRO 447 HA PRO 447 8.741 -12.444 -1.647 99 HB2 PRO 447 HB2 PRO 447 8.349 -12.948 -4.286 100 HB3 PRO 447 HB3 PRO 447 7.615 -13.920 -3.007 101 HG2 PRO 447 HG2 PRO 447 6.404 -11.709 -4.634 102 HG3 PRO 447 HG3 PRO 447 5.706 -13.275 -4.179 103 HD2 PRO 447 HD2 PRO 447 5.111 -10.964 -2.872 104 HD3 PRO 447 HD3 PRO 447 5.124 -12.547 -2.068 105 H ASP 448 H ASP 448 10.491 -11.154 -1.734 106 HA ASP 448 HA ASP 448 10.541 -8.672 -3.137 107 HB2 ASP 448 HB2 ASP 448 13.018 -8.740 -2.437 108 HB3 ASP 448 HB3 ASP 448 11.801 -8.714 -1.165 109 H VAL 449 H VAL 449 11.724 -11.895 -3.960 110 HA VAL 449 HA VAL 449 12.620 -10.798 -6.566 111 HB VAL 449 HB VAL 449 13.710 -13.251 -5.155 112 HG11 VAL 449 HG11 VAL 449 13.671 -13.579 -7.572 113 HG12 VAL 449 HG12 VAL 449 15.327 -13.352 -7.013 114 HG13 VAL 449 HG13 VAL 449 14.480 -12.029 -7.814 115 HG21 VAL 449 HG21 VAL 449 14.508 -11.186 -4.139 116 HG22 VAL 449 HG22 VAL 449 14.983 -10.565 -5.721 117 HG23 VAL 449 HG23 VAL 449 15.811 -11.964 -5.037 118 H VAL 450 H VAL 450 11.482 -11.438 -8.287 119 HA VAL 450 HA VAL 450 10.036 -14.011 -8.194 120 HB VAL 450 HB VAL 450 8.065 -13.005 -9.256 121 HG11 VAL 450 HG11 VAL 450 8.097 -13.232 -6.827 122 HG12 VAL 450 HG12 VAL 450 7.191 -11.798 -7.310 123 HG13 VAL 450 HG13 VAL 450 8.828 -11.633 -6.672 124 HG21 VAL 450 HG21 VAL 450 9.494 -10.369 -8.849 125 HG22 VAL 450 HG22 VAL 450 7.812 -10.551 -9.348 126 HG23 VAL 450 HG23 VAL 450 9.109 -11.126 -10.395 127 H GLY 451 H GLY 451 9.290 -14.758 -10.349 128 HA2 GLY 451 HA2 GLY 451 11.367 -14.282 -12.350 129 HA3 GLY 451 HA3 GLY 451 10.196 -15.590 -12.352 130 H VAL 452 H VAL 452 10.887 -13.970 -14.583 131 HA VAL 452 HA VAL 452 8.964 -11.934 -15.054 132 HB VAL 452 HB VAL 452 11.161 -12.114 -16.223 133 HG11 VAL 452 HG11 VAL 452 11.386 -13.616 -18.147 134 HG12 VAL 452 HG12 VAL 452 9.830 -14.348 -17.758 135 HG13 VAL 452 HG13 VAL 452 11.184 -14.511 -16.641 136 HG21 VAL 452 HG21 VAL 452 9.417 -10.659 -17.101 137 HG22 VAL 452 HG22 VAL 452 8.750 -11.997 -18.038 138 HG23 VAL 452 HG23 VAL 452 10.355 -11.371 -18.414 139 H ASN 453 H ASN 453 7.021 -11.974 -16.142 140 HA ASN 453 HA ASN 453 5.019 -12.733 -16.868 141 HB2 ASN 453 HB2 ASN 453 6.680 -14.978 -18.038 142 HB3 ASN 453 HB3 ASN 453 4.992 -14.664 -18.429 143 HD21 ASN 453 HD21 ASN 453 8.254 -13.735 -18.982 144 HD22 ASN 453 HD22 ASN 453 7.921 -12.517 -20.158 145 H LYS 454 H LYS 454 6.087 -13.695 -14.220 146 HA LYS 454 HA LYS 454 4.461 -16.137 -13.919 147 HB2 LYS 454 HB2 LYS 454 6.515 -14.970 -12.024 148 HB3 LYS 454 HB3 LYS 454 5.640 -16.477 -11.787 149 HG2 LYS 454 HG2 LYS 454 7.654 -15.870 -13.946 150 HG3 LYS 454 HG3 LYS 454 7.866 -16.952 -12.568 151 HD2 LYS 454 HD2 LYS 454 5.893 -17.326 -14.832 152 HD3 LYS 454 HD3 LYS 454 7.415 -18.193 -14.640 153 HE2 LYS 454 HE2 LYS 454 6.570 -19.112 -12.492 154 HE3 LYS 454 HE3 LYS 454 5.026 -18.311 -12.789 155 HZ1 LYS 454 HZ1 LYS 454 5.026 -20.656 -13.451 156 HZ2 LYS 454 HZ2 LYS 454 6.255 -20.347 -14.570 157 HZ3 LYS 454 HZ3 LYS 454 4.735 -19.633 -14.762 158 H LEU 455 H LEU 455 3.520 -16.267 -11.540 159 HA LEU 455 HA LEU 455 1.862 -13.850 -11.206 160 HB2 LEU 455 HB2 LEU 455 0.714 -15.985 -11.753 161 HB3 LEU 455 HB3 LEU 455 1.339 -16.679 -10.268 162 HG LEU 455 HG LEU 455 0.078 -14.936 -8.982 163 HD11 LEU 455 HD11 LEU 455 -1.694 -13.694 -10.143 164 HD12 LEU 455 HD12 LEU 455 -1.094 -14.299 -11.689 165 HD13 LEU 455 HD13 LEU 455 -0.084 -13.240 -10.705 166 HD21 LEU 455 HD21 LEU 455 -1.598 -16.685 -10.794 167 HD22 LEU 455 HD22 LEU 455 -2.118 -15.975 -9.265 168 HD23 LEU 455 HD23 LEU 455 -0.838 -17.187 -9.283 169 H ALA 456 H ALA 456 2.321 -12.577 -9.495 170 HA ALA 456 HA ALA 456 3.255 -13.852 -6.994 171 HB1 ALA 456 HB1 ALA 456 5.129 -12.736 -8.116 172 HB2 ALA 456 HB2 ALA 456 4.730 -11.956 -6.585 173 HB3 ALA 456 HB3 ALA 456 4.227 -11.219 -8.108 174 H GLU 457 H GLU 457 2.148 -13.302 -5.186 175 HA GLU 457 HA GLU 457 0.292 -11.011 -5.348 176 HB2 GLU 457 HB2 GLU 457 0.062 -13.648 -3.925 177 HB3 GLU 457 HB3 GLU 457 -0.834 -12.250 -3.344 178 HG2 GLU 457 HG2 GLU 457 -1.904 -12.026 -5.526 179 HG3 GLU 457 HG3 GLU 457 -1.027 -13.446 -6.106 180 H TYR 458 H TYR 458 0.292 -9.470 -3.811 181 HA TYR 458 HA TYR 458 2.232 -9.727 -1.593 182 HB2 TYR 458 HB2 TYR 458 1.542 -7.253 -3.205 183 HB3 TYR 458 HB3 TYR 458 2.537 -7.246 -1.755 184 HD1 TYR 458 HD1 TYR 458 2.368 -8.628 -5.216 185 HD2 TYR 458 HD2 TYR 458 4.860 -7.635 -1.908 186 HE1 TYR 458 HE1 TYR 458 4.362 -9.061 -6.591 187 HE2 TYR 458 HE2 TYR 458 6.855 -8.066 -3.274 188 HH TYR 458 HH TYR 458 7.506 -9.297 -5.252 189 H GLU 459 H GLU 459 1.714 -8.427 0.316 190 HA GLU 459 HA GLU 459 -1.199 -8.237 0.770 191 HB2 GLU 459 HB2 GLU 459 0.920 -9.149 2.739 192 HB3 GLU 459 HB3 GLU 459 -0.815 -9.097 3.027 193 HG2 GLU 459 HG2 GLU 459 -1.196 -10.848 1.426 194 HG3 GLU 459 HG3 GLU 459 0.497 -10.820 0.930 195 H VAL 460 H VAL 460 -1.908 -6.340 1.566 196 HA VAL 460 HA VAL 460 0.067 -4.435 2.665 197 HB VAL 460 HB VAL 460 -2.549 -3.758 1.295 198 HG11 VAL 460 HG11 VAL 460 -0.248 -2.004 2.171 199 HG12 VAL 460 HG12 VAL 460 -1.848 -2.074 2.910 200 HG13 VAL 460 HG13 VAL 460 -1.664 -1.462 1.266 201 HG21 VAL 460 HG21 VAL 460 -1.172 -3.011 -0.604 202 HG22 VAL 460 HG22 VAL 460 -1.004 -4.742 -0.309 203 HG23 VAL 460 HG23 VAL 460 0.268 -3.633 0.204 204 H HIS 461 H HIS 461 -0.136 -4.089 4.785 205 HA HIS 461 HA HIS 461 -2.720 -4.535 6.116 206 HB2 HIS 461 HB2 HIS 461 0.081 -4.174 7.190 207 HB3 HIS 461 HB3 HIS 461 -1.327 -4.236 8.226 208 HD1 HIS 461 HD1 HIS 461 -2.043 -6.500 8.974 209 HD2 HIS 461 HD2 HIS 461 0.478 -6.669 5.672 210 HE1 HIS 461 HE1 HIS 461 -1.559 -8.934 8.621 211 HE2 HIS 461 HE2 HIS 461 0.145 -8.986 6.774 212 H VAL 462 H VAL 462 -4.006 -2.766 5.970 213 HA VAL 462 HA VAL 462 -2.824 -0.111 6.494 214 HB VAL 462 HB VAL 462 -4.738 0.873 5.377 215 HG11 VAL 462 HG11 VAL 462 -2.849 0.155 3.987 216 HG12 VAL 462 HG12 VAL 462 -4.372 0.052 3.107 217 HG13 VAL 462 HG13 VAL 462 -3.621 -1.410 3.742 218 HG21 VAL 462 HG21 VAL 462 -6.492 -0.687 6.044 219 HG22 VAL 462 HG22 VAL 462 -5.786 -1.946 5.029 220 HG23 VAL 462 HG23 VAL 462 -6.474 -0.501 4.291 221 H LYS 463 H LYS 463 -3.298 0.915 8.373 222 HA LYS 463 HA LYS 463 -5.692 0.101 9.866 223 HB2 LYS 463 HB2 LYS 463 -4.160 0.077 11.975 224 HB3 LYS 463 HB3 LYS 463 -4.268 -1.344 10.950 225 HG2 LYS 463 HG2 LYS 463 -2.157 -0.986 10.012 226 HG3 LYS 463 HG3 LYS 463 -2.098 0.689 10.567 227 HD2 LYS 463 HD2 LYS 463 -1.649 0.077 12.771 228 HD3 LYS 463 HD3 LYS 463 -2.270 -1.558 12.549 229 HE2 LYS 463 HE2 LYS 463 0.221 -0.516 11.209 230 HE3 LYS 463 HE3 LYS 463 0.225 -1.386 12.742 231 HZ1 LYS 463 HZ1 LYS 463 -0.889 -3.244 11.575 232 HZ2 LYS 463 HZ2 LYS 463 0.667 -2.920 10.991 233 HZ3 LYS 463 HZ3 LYS 463 -0.684 -2.418 10.116 234 H ASN 464 H ASN 464 -6.292 1.434 11.599 235 HA ASN 464 HA ASN 464 -5.332 4.222 11.424 236 HB2 ASN 464 HB2 ASN 464 -7.757 3.712 10.936 237 HB3 ASN 464 HB3 ASN 464 -7.922 3.153 12.594 238 HD21 ASN 464 HD21 ASN 464 -9.324 5.263 11.265 239 HD22 ASN 464 HD22 ASN 464 -9.025 6.702 12.168 240 H LEU 465 H LEU 465 -4.275 5.056 13.188 241 HA LEU 465 HA LEU 465 -4.330 3.481 15.694 242 HB2 LEU 465 HB2 LEU 465 -2.027 5.042 14.507 243 HB3 LEU 465 HB3 LEU 465 -1.995 4.221 16.056 244 HG LEU 465 HG LEU 465 -2.287 2.898 13.350 245 HD11 LEU 465 HD11 LEU 465 -0.024 3.692 13.752 246 HD12 LEU 465 HD12 LEU 465 -0.087 1.932 13.841 247 HD13 LEU 465 HD13 LEU 465 0.001 2.887 15.321 248 HD21 LEU 465 HD21 LEU 465 -3.560 1.686 15.036 249 HD22 LEU 465 HD22 LEU 465 -2.157 1.660 16.105 250 HD23 LEU 465 HD23 LEU 465 -2.121 0.777 14.578 251 H GLY 466 H GLY 466 -5.789 6.029 14.692 252 HA2 GLY 466 HA2 GLY 466 -4.968 7.895 16.826 253 HA3 GLY 466 HA3 GLY 466 -5.997 8.286 15.462 254 H GLY 467 H GLY 467 -7.341 5.528 16.233 255 HA2 GLY 467 HA2 GLY 467 -9.018 4.784 17.657 256 HA3 GLY 467 HA3 GLY 467 -8.668 6.133 18.721 257 H ILE 468 H ILE 468 -9.328 6.864 15.416 258 HA ILE 468 HA ILE 468 -12.156 7.448 15.984 259 HB ILE 468 HB ILE 468 -11.202 9.585 16.277 260 HG12 ILE 468 HG12 ILE 468 -12.046 9.458 13.365 261 HG13 ILE 468 HG13 ILE 468 -13.146 9.567 14.734 262 HG21 ILE 468 HG21 ILE 468 -9.551 9.136 13.788 263 HG22 ILE 468 HG22 ILE 468 -8.959 9.092 15.450 264 HG23 ILE 468 HG23 ILE 468 -9.563 10.602 14.768 265 HD11 ILE 468 HD11 ILE 468 -11.123 11.647 13.920 266 HD12 ILE 468 HD12 ILE 468 -12.228 11.761 15.290 267 HD13 ILE 468 HD13 ILE 468 -12.864 11.716 13.647 268 H GLY 469 H GLY 469 -13.534 6.922 14.367 269 HA2 GLY 469 HA2 GLY 469 -12.631 5.321 12.211 270 HA3 GLY 469 HA3 GLY 469 -14.269 5.900 12.444 271 H VAL 470 H VAL 470 -12.231 5.729 10.112 272 HA VAL 470 HA VAL 470 -12.709 8.444 9.066 273 HB VAL 470 HB VAL 470 -10.174 6.832 8.662 274 HG11 VAL 470 HG11 VAL 470 -10.889 9.617 7.727 275 HG12 VAL 470 HG12 VAL 470 -10.739 8.185 6.707 276 HG13 VAL 470 HG13 VAL 470 -9.320 8.833 7.530 277 HG21 VAL 470 HG21 VAL 470 -10.628 9.349 10.268 278 HG22 VAL 470 HG22 VAL 470 -9.071 8.568 9.993 279 HG23 VAL 470 HG23 VAL 470 -10.319 7.742 10.926 280 HA PRO 471 HA PRO 471 -14.243 5.895 5.596 281 HB2 PRO 471 HB2 PRO 471 -15.749 7.814 4.465 282 HB3 PRO 471 HB3 PRO 471 -16.271 6.982 5.936 283 HG2 PRO 471 HG2 PRO 471 -15.000 9.682 5.635 284 HG3 PRO 471 HG3 PRO 471 -16.359 9.194 6.665 285 HD2 PRO 471 HD2 PRO 471 -13.775 9.463 7.565 286 HD3 PRO 471 HD3 PRO 471 -14.978 8.399 8.317 287 H SER 472 H SER 472 -12.236 8.603 5.742 288 HA SER 472 HA SER 472 -12.013 9.188 2.930 289 HB2 SER 472 HB2 SER 472 -10.381 10.172 5.283 290 HB3 SER 472 HB3 SER 472 -10.320 10.829 3.646 291 HG SER 472 HG SER 472 -11.711 12.074 4.904 292 H THR 473 H THR 473 -11.049 6.477 4.172 293 HA THR 473 HA THR 473 -8.162 6.641 3.820 294 HB THR 473 HB THR 473 -9.900 4.314 4.690 295 HG1 THR 473 HG1 THR 473 -8.388 5.135 6.663 296 HG21 THR 473 HG21 THR 473 -7.831 3.264 5.449 297 HG22 THR 473 HG22 THR 473 -6.891 4.621 4.830 298 HG23 THR 473 HG23 THR 473 -7.758 3.568 3.714 299 H LYS 474 H LYS 474 -7.830 6.825 1.640 300 HA LYS 474 HA LYS 474 -8.649 4.585 -0.099 301 HB2 LYS 474 HB2 LYS 474 -7.428 7.237 -0.906 302 HB3 LYS 474 HB3 LYS 474 -8.145 6.035 -1.972 303 HG2 LYS 474 HG2 LYS 474 -10.340 6.463 -1.034 304 HG3 LYS 474 HG3 LYS 474 -9.647 7.605 0.123 305 HD2 LYS 474 HD2 LYS 474 -8.851 8.979 -1.800 306 HD3 LYS 474 HD3 LYS 474 -9.694 7.877 -2.889 307 HE2 LYS 474 HE2 LYS 474 -10.999 9.502 -0.703 308 HE3 LYS 474 HE3 LYS 474 -10.982 9.928 -2.413 309 HZ1 LYS 474 HZ1 LYS 474 -13.038 8.899 -1.982 310 HZ2 LYS 474 HZ2 LYS 474 -12.331 7.618 -1.137 311 HZ3 LYS 474 HZ3 LYS 474 -12.120 7.749 -2.805 312 H VAL 475 H VAL 475 -7.138 3.105 -0.706 313 HA VAL 475 HA VAL 475 -4.306 3.651 -0.048 314 HB VAL 475 HB VAL 475 -5.648 0.967 -0.460 315 HG11 VAL 475 HG11 VAL 475 -2.907 1.665 0.612 316 HG12 VAL 475 HG12 VAL 475 -3.261 0.905 -0.940 317 HG13 VAL 475 HG13 VAL 475 -3.606 0.046 0.561 318 HG21 VAL 475 HG21 VAL 475 -4.906 2.357 2.122 319 HG22 VAL 475 HG22 VAL 475 -5.547 0.721 1.976 320 HG23 VAL 475 HG23 VAL 475 -6.543 2.101 1.517 321 H ARG 476 H ARG 476 -2.921 3.962 -1.709 322 HA ARG 476 HA ARG 476 -3.585 2.790 -4.347 323 HB2 ARG 476 HB2 ARG 476 -1.926 5.263 -3.796 324 HB3 ARG 476 HB3 ARG 476 -2.289 4.598 -5.381 325 HG2 ARG 476 HG2 ARG 476 -4.729 5.014 -4.873 326 HG3 ARG 476 HG3 ARG 476 -4.193 5.912 -3.449 327 HD2 ARG 476 HD2 ARG 476 -2.797 7.330 -4.974 328 HD3 ARG 476 HD3 ARG 476 -3.547 6.508 -6.339 329 HE ARG 476 HE ARG 476 -5.013 8.189 -4.408 330 HH11 ARG 476 HH11 ARG 476 -4.576 6.936 -7.588 331 HH12 ARG 476 HH12 ARG 476 -5.800 7.942 -8.274 332 HH21 ARG 476 HH21 ARG 476 -6.551 9.518 -5.309 333 HH22 ARG 476 HH22 ARG 476 -6.903 9.381 -6.998 334 H VAL 477 H VAL 477 -1.956 1.757 -5.532 335 HA VAL 477 HA VAL 477 0.625 1.340 -4.139 336 HB VAL 477 HB VAL 477 -0.935 -0.650 -5.811 337 HG11 VAL 477 HG11 VAL 477 1.452 -0.861 -6.294 338 HG12 VAL 477 HG12 VAL 477 0.883 -2.238 -5.351 339 HG13 VAL 477 HG13 VAL 477 1.808 -0.955 -4.568 340 HG21 VAL 477 HG21 VAL 477 -0.991 -1.977 -3.750 341 HG22 VAL 477 HG22 VAL 477 -1.755 -0.405 -3.519 342 HG23 VAL 477 HG23 VAL 477 -0.130 -0.695 -2.896 343 H TYR 478 H TYR 478 2.336 2.065 -5.210 344 HA TYR 478 HA TYR 478 2.141 2.522 -8.123 345 HB2 TYR 478 HB2 TYR 478 3.871 3.940 -6.077 346 HB3 TYR 478 HB3 TYR 478 3.860 4.272 -7.804 347 HD1 TYR 478 HD1 TYR 478 1.952 5.420 -8.840 348 HD2 TYR 478 HD2 TYR 478 2.088 4.735 -4.639 349 HE1 TYR 478 HE1 TYR 478 0.163 7.075 -8.516 350 HE2 TYR 478 HE2 TYR 478 0.299 6.386 -4.309 351 HH TYR 478 HH TYR 478 -0.614 8.376 -5.505 352 H ILE 479 H ILE 479 3.713 1.745 -9.475 353 HA ILE 479 HA ILE 479 6.052 0.395 -8.280 354 HB ILE 479 HB ILE 479 4.569 -0.459 -10.782 355 HG12 ILE 479 HG12 ILE 479 4.714 -1.751 -8.039 356 HG13 ILE 479 HG13 ILE 479 3.298 -0.981 -8.743 357 HG21 ILE 479 HG21 ILE 479 6.944 -0.910 -10.963 358 HG22 ILE 479 HG22 ILE 479 6.072 -2.422 -10.719 359 HG23 ILE 479 HG23 ILE 479 6.950 -1.684 -9.379 360 HD11 ILE 479 HD11 ILE 479 3.242 -2.696 -10.488 361 HD12 ILE 479 HD12 ILE 479 3.132 -3.393 -8.872 362 HD13 ILE 479 HD13 ILE 479 4.650 -3.470 -9.764 363 H ASN 480 H ASN 480 7.829 1.554 -8.728 364 HA ASN 480 HA ASN 480 9.302 2.985 -9.722 365 HB2 ASN 480 HB2 ASN 480 8.331 1.441 -12.130 366 HB3 ASN 480 HB3 ASN 480 9.647 2.607 -12.218 367 HD21 ASN 480 HD21 ASN 480 9.868 -0.129 -12.830 368 HD22 ASN 480 HD22 ASN 480 10.984 -0.825 -11.712 369 H GLY 481 H GLY 481 6.696 4.131 -9.293 370 HA2 GLY 481 HA2 GLY 481 5.984 6.337 -9.675 371 HA3 GLY 481 HA3 GLY 481 6.921 6.367 -11.157 372 H THR 482 H THR 482 5.148 3.561 -11.196 373 HA THR 482 HA THR 482 2.951 4.830 -12.727 374 HB THR 482 HB THR 482 3.995 1.988 -12.949 375 HG1 THR 482 HG1 THR 482 5.307 3.824 -13.827 376 HG21 THR 482 HG21 THR 482 2.550 1.836 -14.932 377 HG22 THR 482 HG22 THR 482 1.932 3.457 -14.608 378 HG23 THR 482 HG23 THR 482 1.604 2.145 -13.475 379 H LEU 483 H LEU 483 0.977 4.799 -11.780 380 HA LEU 483 HA LEU 483 0.403 3.334 -9.423 381 HB2 LEU 483 HB2 LEU 483 -0.812 5.384 -10.006 382 HB3 LEU 483 HB3 LEU 483 -1.502 4.595 -11.412 383 HG LEU 483 HG LEU 483 -2.702 3.016 -9.911 384 HD11 LEU 483 HD11 LEU 483 -1.608 4.756 -7.699 385 HD12 LEU 483 HD12 LEU 483 -1.223 3.060 -7.992 386 HD13 LEU 483 HD13 LEU 483 -2.854 3.521 -7.510 387 HD21 LEU 483 HD21 LEU 483 -3.250 5.933 -9.342 388 HD22 LEU 483 HD22 LEU 483 -4.381 4.598 -9.109 389 HD23 LEU 483 HD23 LEU 483 -3.837 5.019 -10.731 390 H TYR 484 H TYR 484 0.182 1.200 -9.274 391 HA TYR 484 HA TYR 484 -0.529 -0.406 -11.582 392 HB2 TYR 484 HB2 TYR 484 1.158 -1.439 -10.355 393 HB3 TYR 484 HB3 TYR 484 0.461 -0.973 -8.806 394 HD1 TYR 484 HD1 TYR 484 -0.071 -3.275 -11.712 395 HD2 TYR 484 HD2 TYR 484 -0.852 -2.483 -7.598 396 HE1 TYR 484 HE1 TYR 484 -1.132 -5.485 -11.486 397 HE2 TYR 484 HE2 TYR 484 -1.905 -4.684 -7.371 398 HH TYR 484 HH TYR 484 -1.659 -7.110 -9.740 399 H LYS 485 H LYS 485 -1.953 0.296 -8.385 400 HA LYS 485 HA LYS 485 -4.615 0.023 -9.325 401 HB2 LYS 485 HB2 LYS 485 -4.013 -2.361 -9.356 402 HB3 LYS 485 HB3 LYS 485 -3.569 -2.284 -7.660 403 HG2 LYS 485 HG2 LYS 485 -5.764 -2.197 -6.945 404 HG3 LYS 485 HG3 LYS 485 -6.346 -1.536 -8.473 405 HD2 LYS 485 HD2 LYS 485 -7.024 -3.902 -8.082 406 HD3 LYS 485 HD3 LYS 485 -6.102 -3.664 -9.566 407 HE2 LYS 485 HE2 LYS 485 -4.073 -4.458 -8.411 408 HE3 LYS 485 HE3 LYS 485 -5.023 -4.728 -6.950 409 HZ1 LYS 485 HZ1 LYS 485 -4.693 -6.763 -8.252 410 HZ2 LYS 485 HZ2 LYS 485 -5.505 -6.066 -9.558 411 HZ3 LYS 485 HZ3 LYS 485 -6.329 -6.368 -8.114 412 H ASN 486 H ASN 486 -6.233 0.317 -7.611 413 HA ASN 486 HA ASN 486 -5.199 1.134 -5.003 414 HB2 ASN 486 HB2 ASN 486 -6.640 3.263 -5.190 415 HB3 ASN 486 HB3 ASN 486 -5.089 3.236 -6.016 416 HD21 ASN 486 HD21 ASN 486 -7.966 1.593 -7.222 417 HD22 ASN 486 HD22 ASN 486 -8.177 2.618 -8.589 418 H TRP 487 H TRP 487 -6.775 1.305 -3.342 419 HA TRP 487 HA TRP 487 -9.431 0.156 -3.939 420 HB2 TRP 487 HB2 TRP 487 -7.689 -0.505 -1.547 421 HB3 TRP 487 HB3 TRP 487 -9.331 -1.080 -1.799 422 HD1 TRP 487 HD1 TRP 487 -9.666 -3.158 -3.386 423 HE1 TRP 487 HE1 TRP 487 -8.024 -4.807 -4.490 424 HE3 TRP 487 HE3 TRP 487 -5.306 -0.584 -2.653 425 HZ2 TRP 487 HZ2 TRP 487 -5.255 -4.987 -4.988 426 HZ3 TRP 487 HZ3 TRP 487 -3.208 -1.567 -3.475 427 HH2 TRP 487 HH2 TRP 487 -3.185 -3.720 -4.618 428 H THR 488 H THR 488 -11.148 0.913 -2.647 429 HA THR 488 HA THR 488 -10.509 3.184 -0.856 430 HB THR 488 HB THR 488 -13.078 2.681 -2.391 431 HG1 THR 488 HG1 THR 488 -12.408 4.339 -3.693 432 HG21 THR 488 HG21 THR 488 -13.536 3.760 -0.249 433 HG22 THR 488 HG22 THR 488 -13.748 4.910 -1.567 434 HG23 THR 488 HG23 THR 488 -12.292 4.968 -0.572 435 H VAL 489 H VAL 489 -10.810 2.796 1.246 436 HA VAL 489 HA VAL 489 -12.922 0.935 2.103 437 HB VAL 489 HB VAL 489 -11.399 -0.104 3.762 438 HG11 VAL 489 HG11 VAL 489 -10.153 -1.541 2.193 439 HG12 VAL 489 HG12 VAL 489 -10.506 -0.405 0.890 440 HG13 VAL 489 HG13 VAL 489 -11.820 -1.280 1.680 441 HG21 VAL 489 HG21 VAL 489 -9.743 1.673 3.953 442 HG22 VAL 489 HG22 VAL 489 -9.225 1.397 2.289 443 HG23 VAL 489 HG23 VAL 489 -8.962 0.154 3.513 444 H SER 490 H SER 490 -13.114 0.982 4.578 445 HA SER 490 HA SER 490 -12.578 3.692 5.635 446 HB2 SER 490 HB2 SER 490 -14.675 3.503 6.953 447 HB3 SER 490 HB3 SER 490 -14.981 3.452 5.219 448 HG SER 490 HG SER 490 -15.029 1.112 5.451 449 H LEU 491 H LEU 491 -11.698 3.816 7.671 450 HA LEU 491 HA LEU 491 -11.192 1.237 9.043 451 HB2 LEU 491 HB2 LEU 491 -9.463 3.711 8.871 452 HB3 LEU 491 HB3 LEU 491 -9.144 2.389 9.978 453 HG LEU 491 HG LEU 491 -9.173 2.160 6.960 454 HD11 LEU 491 HD11 LEU 491 -7.280 3.481 7.741 455 HD12 LEU 491 HD12 LEU 491 -6.745 1.902 7.170 456 HD13 LEU 491 HD13 LEU 491 -6.860 2.218 8.900 457 HD21 LEU 491 HD21 LEU 491 -9.828 0.082 8.090 458 HD22 LEU 491 HD22 LEU 491 -8.365 0.157 9.074 459 HD23 LEU 491 HD23 LEU 491 -8.247 -0.065 7.328 460 H GLY 492 H GLY 492 -12.253 1.049 10.898 461 HA2 GLY 492 HA2 GLY 492 -13.417 3.305 12.249 462 HA3 GLY 492 HA3 GLY 492 -13.473 1.631 12.773 463 HA PRO 493 HA PRO 493 -10.731 4.147 15.655 464 HB2 PRO 493 HB2 PRO 493 -11.789 3.028 17.937 465 HB3 PRO 493 HB3 PRO 493 -12.371 4.524 17.204 466 HG2 PRO 493 HG2 PRO 493 -13.467 1.744 16.958 467 HG3 PRO 493 HG3 PRO 493 -14.339 3.276 17.162 468 HD2 PRO 493 HD2 PRO 493 -14.143 2.077 14.762 469 HD3 PRO 493 HD3 PRO 493 -14.117 3.846 14.918 470 H LYS 494 H LYS 494 -8.886 3.080 15.110 471 HA LYS 494 HA LYS 494 -7.112 1.706 15.325 472 HB2 LYS 494 HB2 LYS 494 -8.628 0.659 17.722 473 HB3 LYS 494 HB3 LYS 494 -6.954 0.258 17.345 474 HG2 LYS 494 HG2 LYS 494 -6.328 2.610 17.544 475 HG3 LYS 494 HG3 LYS 494 -8.006 3.036 17.885 476 HD2 LYS 494 HD2 LYS 494 -7.932 1.669 19.924 477 HD3 LYS 494 HD3 LYS 494 -6.252 1.249 19.578 478 HE2 LYS 494 HE2 LYS 494 -5.643 3.633 19.724 479 HE3 LYS 494 HE3 LYS 494 -7.319 4.028 20.105 480 HZ1 LYS 494 HZ1 LYS 494 -7.154 2.734 22.110 481 HZ2 LYS 494 HZ2 LYS 494 -5.921 3.890 22.080 482 HZ3 LYS 494 HZ3 LYS 494 -5.571 2.273 21.733 483 H GLU 495 H GLU 495 -9.052 1.011 13.469 484 HA GLU 495 HA GLU 495 -9.224 -1.928 13.554 485 HB2 GLU 495 HB2 GLU 495 -11.280 -0.652 13.039 486 HB3 GLU 495 HB3 GLU 495 -10.480 0.068 11.649 487 HG2 GLU 495 HG2 GLU 495 -11.919 -1.670 10.881 488 HG3 GLU 495 HG3 GLU 495 -10.252 -2.195 10.661 489 H GLU 496 H GLU 496 -8.441 -3.226 11.804 490 HA GLU 496 HA GLU 496 -6.631 -1.883 9.895 491 HB2 GLU 496 HB2 GLU 496 -5.320 -2.901 11.767 492 HB3 GLU 496 HB3 GLU 496 -5.981 -4.473 11.331 493 HG2 GLU 496 HG2 GLU 496 -4.958 -4.211 9.072 494 HG3 GLU 496 HG3 GLU 496 -4.209 -2.719 9.635 495 H LYS 497 H LYS 497 -6.725 -2.611 7.826 496 HA LYS 497 HA LYS 497 -8.265 -5.078 7.274 497 HB2 LYS 497 HB2 LYS 497 -8.026 -2.731 5.379 498 HB3 LYS 497 HB3 LYS 497 -9.111 -4.108 5.254 499 HG2 LYS 497 HG2 LYS 497 -9.252 -1.902 7.309 500 HG3 LYS 497 HG3 LYS 497 -10.315 -2.104 5.918 501 HD2 LYS 497 HD2 LYS 497 -10.050 -4.076 8.197 502 HD3 LYS 497 HD3 LYS 497 -11.323 -2.867 8.056 503 HE2 LYS 497 HE2 LYS 497 -12.142 -3.906 6.032 504 HE3 LYS 497 HE3 LYS 497 -10.795 -5.044 6.032 505 HZ1 LYS 497 HZ1 LYS 497 -12.789 -6.065 6.896 506 HZ2 LYS 497 HZ2 LYS 497 -12.925 -4.879 8.097 507 HZ3 LYS 497 HZ3 LYS 497 -11.618 -5.957 8.113 508 H VAL 498 H VAL 498 -7.441 -6.475 5.650 509 HA VAL 498 HA VAL 498 -4.672 -5.880 4.797 510 HB VAL 498 HB VAL 498 -5.914 -8.615 5.204 511 HG11 VAL 498 HG11 VAL 498 -3.077 -7.801 4.534 512 HG12 VAL 498 HG12 VAL 498 -4.204 -8.657 3.479 513 HG13 VAL 498 HG13 VAL 498 -3.595 -9.439 4.938 514 HG21 VAL 498 HG21 VAL 498 -3.927 -7.102 6.911 515 HG22 VAL 498 HG22 VAL 498 -4.415 -8.780 7.158 516 HG23 VAL 498 HG23 VAL 498 -5.597 -7.482 7.336 517 H LEU 499 H LEU 499 -4.516 -5.388 2.713 518 HA LEU 499 HA LEU 499 -6.474 -6.485 0.792 519 HB2 LEU 499 HB2 LEU 499 -4.674 -4.067 0.510 520 HB3 LEU 499 HB3 LEU 499 -5.907 -4.581 -0.629 521 HG LEU 499 HG LEU 499 -6.448 -3.645 2.199 522 HD11 LEU 499 HD11 LEU 499 -7.364 -1.629 1.155 523 HD12 LEU 499 HD12 LEU 499 -6.837 -2.210 -0.425 524 HD13 LEU 499 HD13 LEU 499 -5.646 -1.817 0.812 525 HD21 LEU 499 HD21 LEU 499 -8.114 -5.244 1.397 526 HD22 LEU 499 HD22 LEU 499 -8.354 -4.280 -0.060 527 HD23 LEU 499 HD23 LEU 499 -8.796 -3.623 1.517 528 H THR 500 H THR 500 -5.805 -7.845 -0.799 529 HA THR 500 HA THR 500 -2.889 -8.123 -1.255 530 HB THR 500 HB THR 500 -3.375 -10.412 -2.122 531 HG1 THR 500 HG1 THR 500 -5.364 -11.201 -2.129 532 HG21 THR 500 HG21 THR 500 -2.602 -10.130 0.172 533 HG22 THR 500 HG22 THR 500 -3.741 -11.470 0.055 534 HG23 THR 500 HG23 THR 500 -4.266 -9.923 0.726 535 H PHE 501 H PHE 501 -2.108 -8.382 -3.359 536 HA PHE 501 HA PHE 501 -3.998 -8.191 -5.581 537 HB2 PHE 501 HB2 PHE 501 -2.695 -6.376 -6.659 538 HB3 PHE 501 HB3 PHE 501 -3.478 -5.869 -5.171 539 HD1 PHE 501 HD1 PHE 501 -0.265 -6.557 -6.802 540 HD2 PHE 501 HD2 PHE 501 -2.178 -5.272 -3.217 541 HE1 PHE 501 HE1 PHE 501 1.879 -5.681 -5.974 542 HE2 PHE 501 HE2 PHE 501 -0.035 -4.396 -2.387 543 HZ PHE 501 HZ PHE 501 1.996 -4.598 -3.765 544 H SER 502 H SER 502 -3.214 -8.941 -7.563 545 HA SER 502 HA SER 502 -0.763 -10.575 -7.374 546 HB2 SER 502 HB2 SER 502 -1.801 -12.022 -9.103 547 HB3 SER 502 HB3 SER 502 -2.797 -11.912 -7.652 548 HG SER 502 HG SER 502 -3.388 -11.215 -10.194 549 H TRP 503 H TRP 503 0.896 -9.806 -8.491 550 HA TRP 503 HA TRP 503 0.380 -8.127 -10.866 551 HB2 TRP 503 HB2 TRP 503 1.405 -6.854 -9.080 552 HB3 TRP 503 HB3 TRP 503 2.665 -8.068 -8.878 553 HD1 TRP 503 HD1 TRP 503 1.461 -6.060 -12.002 554 HE1 TRP 503 HE1 TRP 503 3.545 -5.059 -13.134 555 HE3 TRP 503 HE3 TRP 503 5.035 -7.740 -8.752 556 HZ2 TRP 503 HZ2 TRP 503 6.330 -4.977 -12.696 557 HZ3 TRP 503 HZ3 TRP 503 7.385 -7.150 -9.176 558 HH2 TRP 503 HH2 TRP 503 8.017 -5.797 -11.109 559 H THR 504 H THR 504 1.323 -8.630 -12.780 560 HA THR 504 HA THR 504 3.192 -10.922 -12.844 561 HB THR 504 HB THR 504 1.135 -10.133 -14.929 562 HG1 THR 504 HG1 THR 504 1.359 -12.399 -13.200 563 HG21 THR 504 HG21 THR 504 3.164 -10.991 -15.999 564 HG22 THR 504 HG22 THR 504 1.852 -12.163 -16.126 565 HG23 THR 504 HG23 THR 504 3.138 -12.403 -14.943 566 HA PRO 505 HA PRO 505 5.729 -7.608 -14.677 567 HB2 PRO 505 HB2 PRO 505 8.120 -8.616 -13.966 568 HB3 PRO 505 HB3 PRO 505 7.069 -7.803 -12.798 569 HG2 PRO 505 HG2 PRO 505 7.496 -10.736 -13.242 570 HG3 PRO 505 HG3 PRO 505 7.361 -9.842 -11.716 571 HD2 PRO 505 HD2 PRO 505 5.294 -11.256 -12.867 572 HD3 PRO 505 HD3 PRO 505 5.072 -9.892 -11.752 573 H THR 506 H THR 506 5.371 -7.994 -16.879 574 HA THR 506 HA THR 506 6.243 -10.438 -18.140 575 HB THR 506 HB THR 506 5.524 -9.293 -20.273 576 HG1 THR 506 HG1 THR 506 5.399 -7.183 -20.108 577 HG21 THR 506 HG21 THR 506 3.984 -10.723 -19.019 578 HG22 THR 506 HG22 THR 506 3.127 -9.355 -19.731 579 HG23 THR 506 HG23 THR 506 3.516 -9.354 -18.010 580 H GLN 507 H GLN 507 7.789 -7.479 -17.433 581 HA GLN 507 HA GLN 507 10.018 -8.236 -19.225 582 HB2 GLN 507 HB2 GLN 507 9.042 -6.089 -19.910 583 HB3 GLN 507 HB3 GLN 507 9.258 -5.456 -18.284 584 HG2 GLN 507 HG2 GLN 507 10.975 -4.614 -19.786 585 HG3 GLN 507 HG3 GLN 507 11.680 -5.621 -18.523 586 HE21 GLN 507 HE21 GLN 507 10.997 -5.352 -21.920 587 HE22 GLN 507 HE22 GLN 507 11.975 -6.684 -22.422 588 H GLU 508 H GLU 508 12.078 -8.317 -18.358 589 HA GLU 508 HA GLU 508 12.226 -8.659 -15.499 590 HB2 GLU 508 HB2 GLU 508 14.559 -9.370 -15.926 591 HB3 GLU 508 HB3 GLU 508 13.382 -10.247 -16.887 592 HG2 GLU 508 HG2 GLU 508 15.120 -9.852 -18.372 593 HG3 GLU 508 HG3 GLU 508 13.951 -8.595 -18.764 594 H GLY 509 H GLY 509 13.679 -7.606 -14.065 595 HA2 GLY 509 HA2 GLY 509 15.496 -5.721 -14.244 596 HA3 GLY 509 HA3 GLY 509 14.105 -4.783 -14.766 597 H MET 510 H MET 510 15.024 -3.572 -12.798 598 HA MET 510 HA MET 510 14.126 -4.659 -10.242 599 HB2 MET 510 HB2 MET 510 16.323 -3.395 -10.590 600 HB3 MET 510 HB3 MET 510 15.351 -1.937 -10.722 601 HG2 MET 510 HG2 MET 510 15.394 -3.777 -8.339 602 HG3 MET 510 HG3 MET 510 16.298 -2.271 -8.477 603 HE1 MET 510 HE1 MET 510 15.065 -1.800 -6.041 604 HE2 MET 510 HE2 MET 510 14.086 -3.256 -6.218 605 HE3 MET 510 HE3 MET 510 13.311 -1.708 -5.873 606 H TYR 511 H TYR 511 12.328 -4.015 -9.155 607 HA TYR 511 HA TYR 511 10.757 -1.761 -10.210 608 HB2 TYR 511 HB2 TYR 511 9.710 -4.529 -9.577 609 HB3 TYR 511 HB3 TYR 511 8.677 -3.128 -9.838 610 HD1 TYR 511 HD1 TYR 511 10.943 -5.535 -11.439 611 HD2 TYR 511 HD2 TYR 511 8.354 -2.215 -12.065 612 HE1 TYR 511 HE1 TYR 511 10.965 -5.979 -13.854 613 HE2 TYR 511 HE2 TYR 511 8.375 -2.649 -14.484 614 HH TYR 511 HH TYR 511 9.601 -5.538 -15.824 615 H ARG 512 H ARG 512 10.383 -0.328 -8.673 616 HA ARG 512 HA ARG 512 10.431 -1.100 -5.850 617 HB2 ARG 512 HB2 ARG 512 11.771 0.820 -6.415 618 HB3 ARG 512 HB3 ARG 512 10.423 1.583 -7.250 619 HG2 ARG 512 HG2 ARG 512 9.232 1.746 -5.072 620 HG3 ARG 512 HG3 ARG 512 10.675 1.109 -4.279 621 HD2 ARG 512 HD2 ARG 512 10.478 3.595 -4.202 622 HD3 ARG 512 HD3 ARG 512 11.964 3.016 -4.954 623 HE ARG 512 HE ARG 512 11.179 3.749 -7.034 624 HH11 ARG 512 HH11 ARG 512 8.850 4.333 -4.566 625 HH12 ARG 512 HH12 ARG 512 7.990 5.506 -5.499 626 HH21 ARG 512 HH21 ARG 512 10.035 5.241 -8.237 627 HH22 ARG 512 HH22 ARG 512 8.644 6.004 -7.549 628 H ILE 513 H ILE 513 8.584 -1.590 -4.848 629 HA ILE 513 HA ILE 513 6.031 -0.532 -5.875 630 HB ILE 513 HB ILE 513 6.548 -2.880 -4.029 631 HG12 ILE 513 HG12 ILE 513 5.694 -2.773 -6.940 632 HG13 ILE 513 HG13 ILE 513 7.246 -3.338 -6.334 633 HG21 ILE 513 HG21 ILE 513 3.945 -1.919 -5.233 634 HG22 ILE 513 HG22 ILE 513 4.406 -1.795 -3.534 635 HG23 ILE 513 HG23 ILE 513 4.161 -3.380 -4.267 636 HD11 ILE 513 HD11 ILE 513 6.118 -5.192 -5.203 637 HD12 ILE 513 HD12 ILE 513 5.824 -5.194 -6.941 638 HD13 ILE 513 HD13 ILE 513 4.572 -4.627 -5.837 639 H ASN 514 H ASN 514 4.957 0.964 -4.747 640 HA ASN 514 HA ASN 514 5.529 1.313 -1.870 641 HB2 ASN 514 HB2 ASN 514 5.231 3.418 -4.014 642 HB3 ASN 514 HB3 ASN 514 5.046 3.791 -2.302 643 HD21 ASN 514 HD21 ASN 514 6.836 3.719 -0.968 644 HD22 ASN 514 HD22 ASN 514 8.445 3.687 -1.583 645 H ALA 515 H ALA 515 3.821 1.705 -0.528 646 HA ALA 515 HA ALA 515 1.136 1.901 -1.757 647 HB1 ALA 515 HB1 ALA 515 1.429 -0.245 -0.629 648 HB2 ALA 515 HB2 ALA 515 0.229 0.748 0.200 649 HB3 ALA 515 HB3 ALA 515 1.857 0.586 0.866 650 H THR 516 H THR 516 -0.135 3.556 -1.140 651 HA THR 516 HA THR 516 0.724 5.250 1.127 652 HB THR 516 HB THR 516 0.003 7.249 -0.247 653 HG1 THR 516 HG1 THR 516 0.097 6.805 -2.590 654 HG21 THR 516 HG21 THR 516 2.078 7.386 -1.542 655 HG22 THR 516 HG22 THR 516 2.321 5.648 -1.355 656 HG23 THR 516 HG23 THR 516 2.379 6.704 0.056 657 H VAL 517 H VAL 517 -0.899 6.083 2.395 658 HA VAL 517 HA VAL 517 -3.665 5.400 1.637 659 HB VAL 517 HB VAL 517 -2.962 4.391 3.740 660 HG11 VAL 517 HG11 VAL 517 -2.425 5.761 5.707 661 HG12 VAL 517 HG12 VAL 517 -2.466 7.209 4.700 662 HG13 VAL 517 HG13 VAL 517 -1.246 5.967 4.411 663 HG21 VAL 517 HG21 VAL 517 -4.778 5.184 5.181 664 HG22 VAL 517 HG22 VAL 517 -5.304 5.034 3.504 665 HG23 VAL 517 HG23 VAL 517 -4.949 6.626 4.178 666 H ASP 518 H ASP 518 -5.272 6.906 1.654 667 HA ASP 518 HA ASP 518 -6.097 8.894 0.923 668 HB2 ASP 518 HB2 ASP 518 -6.238 8.971 3.467 669 HB3 ASP 518 HB3 ASP 518 -4.831 10.028 3.422 670 H GLU 519 H GLU 519 -4.293 8.713 -0.770 671 HA GLU 519 HA GLU 519 -2.128 10.469 -0.854 672 HB2 GLU 519 HB2 GLU 519 -3.898 9.262 -2.955 673 HB3 GLU 519 HB3 GLU 519 -2.705 10.469 -3.418 674 HG2 GLU 519 HG2 GLU 519 -1.974 8.014 -1.849 675 HG3 GLU 519 HG3 GLU 519 -2.029 8.033 -3.611 676 H GLU 520 H GLU 520 -5.532 11.068 -1.293 677 HA GLU 520 HA GLU 520 -5.340 13.669 -2.426 678 HB2 GLU 520 HB2 GLU 520 -7.644 12.774 -0.702 679 HB3 GLU 520 HB3 GLU 520 -7.668 13.818 -2.116 680 HG2 GLU 520 HG2 GLU 520 -7.296 10.829 -2.052 681 HG3 GLU 520 HG3 GLU 520 -8.678 11.725 -2.676 682 H ASN 521 H ASN 521 -5.048 12.418 0.779 683 HA ASN 521 HA ASN 521 -4.825 13.283 2.848 684 HB2 ASN 521 HB2 ASN 521 -2.850 14.357 1.760 685 HB3 ASN 521 HB3 ASN 521 -3.840 15.778 1.441 686 HD21 ASN 521 HD21 ASN 521 -2.330 13.850 3.936 687 HD22 ASN 521 HD22 ASN 521 -2.427 15.038 5.180 688 H THR 522 H THR 522 -7.264 13.191 2.578 689 HA THR 522 HA THR 522 -8.567 15.819 2.687 690 HB THR 522 HB THR 522 -10.697 14.538 2.689 691 HG1 THR 522 HG1 THR 522 -8.894 12.346 2.776 692 HG21 THR 522 HG21 THR 522 -10.525 13.708 0.378 693 HG22 THR 522 HG22 THR 522 -8.768 13.808 0.479 694 HG23 THR 522 HG23 THR 522 -9.741 15.276 0.572 695 H VAL 523 H VAL 523 -7.421 13.402 4.818 696 HA VAL 523 HA VAL 523 -8.867 14.704 7.046 697 HB VAL 523 HB VAL 523 -9.453 12.302 6.739 698 HG11 VAL 523 HG11 VAL 523 -7.326 11.460 5.907 699 HG12 VAL 523 HG12 VAL 523 -7.819 10.569 7.347 700 HG13 VAL 523 HG13 VAL 523 -6.562 11.801 7.459 701 HG21 VAL 523 HG21 VAL 523 -9.197 11.667 9.095 702 HG22 VAL 523 HG22 VAL 523 -9.672 13.358 8.928 703 HG23 VAL 523 HG23 VAL 523 -7.999 12.944 9.310 704 H VAL 524 H VAL 524 -7.679 15.370 8.855 705 HA VAL 524 HA VAL 524 -4.858 15.829 8.372 706 HB VAL 524 HB VAL 524 -6.534 16.629 10.766 707 HG11 VAL 524 HG11 VAL 524 -4.149 16.619 11.262 708 HG12 VAL 524 HG12 VAL 524 -4.753 18.275 11.179 709 HG13 VAL 524 HG13 VAL 524 -3.829 17.605 9.834 710 HG21 VAL 524 HG21 VAL 524 -5.804 18.229 8.302 711 HG22 VAL 524 HG22 VAL 524 -6.688 18.833 9.705 712 HG23 VAL 524 HG23 VAL 524 -7.404 17.589 8.679 713 H GLU 525 H GLU 525 -3.248 14.601 9.098 714 HA GLU 525 HA GLU 525 -3.914 12.358 10.872 715 HB2 GLU 525 HB2 GLU 525 -1.353 12.485 9.318 716 HB3 GLU 525 HB3 GLU 525 -2.320 11.088 9.762 717 HG2 GLU 525 HG2 GLU 525 -2.816 11.115 7.558 718 HG3 GLU 525 HG3 GLU 525 -4.044 12.268 8.077 719 H LEU 526 H LEU 526 -2.356 11.613 12.455 720 HA LEU 526 HA LEU 526 -1.114 13.647 14.006 721 HB2 LEU 526 HB2 LEU 526 -0.830 10.637 14.097 722 HB3 LEU 526 HB3 LEU 526 -0.142 11.723 15.291 723 HG LEU 526 HG LEU 526 -3.095 11.403 14.717 724 HD11 LEU 526 HD11 LEU 526 -3.186 10.357 16.937 725 HD12 LEU 526 HD12 LEU 526 -1.426 10.443 17.040 726 HD13 LEU 526 HD13 LEU 526 -2.190 9.437 15.809 727 HD21 LEU 526 HD21 LEU 526 -1.657 13.037 16.816 728 HD22 LEU 526 HD22 LEU 526 -3.403 12.798 16.720 729 HD23 LEU 526 HD23 LEU 526 -2.561 13.665 15.436 730 H ASN 527 H ASN 527 0.100 11.420 11.568 731 HA ASN 527 HA ASN 527 2.559 12.990 11.396 732 HB2 ASN 527 HB2 ASN 527 3.190 11.150 12.876 733 HB3 ASN 527 HB3 ASN 527 2.557 9.974 11.727 734 HD21 ASN 527 HD21 ASN 527 4.568 8.958 11.561 735 HD22 ASN 527 HD22 ASN 527 5.888 9.667 10.700 736 H GLU 528 H GLU 528 3.091 13.381 9.329 737 HA GLU 528 HA GLU 528 1.425 12.311 7.217 738 HB2 GLU 528 HB2 GLU 528 1.988 14.692 7.301 739 HB3 GLU 528 HB3 GLU 528 3.700 14.310 7.185 740 HG2 GLU 528 HG2 GLU 528 3.129 13.235 4.936 741 HG3 GLU 528 HG3 GLU 528 1.578 14.065 5.071 742 H ASN 529 H ASN 529 4.635 11.770 8.435 743 HA ASN 529 HA ASN 529 5.568 10.464 6.003 744 HB2 ASN 529 HB2 ASN 529 6.886 10.833 8.709 745 HB3 ASN 529 HB3 ASN 529 7.660 10.088 7.313 746 HD21 ASN 529 HD21 ASN 529 6.606 13.049 8.748 747 HD22 ASN 529 HD22 ASN 529 7.343 14.104 7.600 748 H ASN 530 H ASN 530 3.353 9.465 7.963 749 HA ASN 530 HA ASN 530 4.407 6.746 8.409 750 HB2 ASN 530 HB2 ASN 530 3.486 8.015 10.368 751 HB3 ASN 530 HB3 ASN 530 1.916 8.024 9.575 752 HD21 ASN 530 HD21 ASN 530 1.042 6.922 11.346 753 HD22 ASN 530 HD22 ASN 530 1.312 5.235 11.585 754 H ASN 531 H ASN 531 2.355 8.561 6.395 755 HA ASN 531 HA ASN 531 0.360 6.604 5.816 756 HB2 ASN 531 HB2 ASN 531 1.212 8.980 4.141 757 HB3 ASN 531 HB3 ASN 531 -0.292 8.080 3.981 758 HD21 ASN 531 HD21 ASN 531 -1.623 9.789 4.376 759 HD22 ASN 531 HD22 ASN 531 -1.718 10.599 5.900 760 H VAL 532 H VAL 532 3.613 6.852 4.816 761 HA VAL 532 HA VAL 532 3.079 5.448 2.269 762 HB VAL 532 HB VAL 532 5.528 7.064 3.013 763 HG11 VAL 532 HG11 VAL 532 4.683 5.837 0.382 764 HG12 VAL 532 HG12 VAL 532 6.045 5.341 1.387 765 HG13 VAL 532 HG13 VAL 532 6.057 6.921 0.603 766 HG21 VAL 532 HG21 VAL 532 4.667 8.764 1.463 767 HG22 VAL 532 HG22 VAL 532 3.575 8.507 2.824 768 HG23 VAL 532 HG23 VAL 532 3.193 7.818 1.246 769 H ALA 533 H ALA 533 3.856 3.451 1.955 770 HA ALA 533 HA ALA 533 6.095 2.484 3.635 771 HB1 ALA 533 HB1 ALA 533 3.779 0.856 2.571 772 HB2 ALA 533 HB2 ALA 533 4.023 1.341 4.248 773 HB3 ALA 533 HB3 ALA 533 5.152 0.225 3.481 774 H THR 534 H THR 534 7.776 1.441 2.584 775 HA THR 534 HA THR 534 7.626 1.367 -0.378 776 HB THR 534 HB THR 534 10.058 2.026 1.313 777 HG1 THR 534 HG1 THR 534 9.574 4.075 0.954 778 HG21 THR 534 HG21 THR 534 11.135 2.572 -0.839 779 HG22 THR 534 HG22 THR 534 9.705 1.995 -1.695 780 HG23 THR 534 HG23 THR 534 10.684 0.869 -0.752 781 H PHE 535 H PHE 535 8.221 -0.469 -1.391 782 HA PHE 535 HA PHE 535 9.890 -2.443 0.009 783 HB2 PHE 535 HB2 PHE 535 7.492 -3.087 0.314 784 HB3 PHE 535 HB3 PHE 535 7.322 -3.170 -1.435 785 HD1 PHE 535 HD1 PHE 535 9.243 -4.612 1.408 786 HD2 PHE 535 HD2 PHE 535 7.801 -5.167 -2.565 787 HE1 PHE 535 HE1 PHE 535 9.983 -6.955 1.471 788 HE2 PHE 535 HE2 PHE 535 8.540 -7.514 -2.504 789 HZ PHE 535 HZ PHE 535 9.631 -8.410 -0.487 790 H ASP 536 H ASP 536 11.335 -3.488 -1.314 791 HA ASP 536 HA ASP 536 11.391 -2.595 -4.119 792 HB2 ASP 536 HB2 ASP 536 13.856 -3.168 -3.948 793 HB3 ASP 536 HB3 ASP 536 13.308 -1.818 -2.961 794 H VAL 537 H VAL 537 11.376 -4.002 -5.783 795 HA VAL 537 HA VAL 537 11.551 -6.894 -5.194 796 HB VAL 537 HB VAL 537 9.675 -5.560 -7.168 797 HG11 VAL 537 HG11 VAL 537 9.969 -8.483 -6.445 798 HG12 VAL 537 HG12 VAL 537 10.447 -7.742 -7.972 799 HG13 VAL 537 HG13 VAL 537 8.744 -7.802 -7.519 800 HG21 VAL 537 HG21 VAL 537 9.082 -6.972 -4.562 801 HG22 VAL 537 HG22 VAL 537 7.881 -6.341 -5.690 802 HG23 VAL 537 HG23 VAL 537 8.968 -5.236 -4.850 803 H SER 538 H SER 538 12.685 -8.161 -6.619 804 HA SER 538 HA SER 538 13.931 -6.838 -8.950 805 HB2 SER 538 HB2 SER 538 15.599 -7.356 -7.223 806 HB3 SER 538 HB3 SER 538 15.078 -9.041 -7.206 807 HG SER 538 HG SER 538 16.633 -9.216 -8.631 808 H VAL 539 H VAL 539 13.207 -7.612 -10.839 809 HA VAL 539 HA VAL 539 11.964 -10.282 -10.915 810 HB VAL 539 HB VAL 539 11.736 -7.999 -12.893 811 HG11 VAL 539 HG11 VAL 539 10.250 -10.632 -12.787 812 HG12 VAL 539 HG12 VAL 539 11.476 -10.183 -13.973 813 HG13 VAL 539 HG13 VAL 539 9.943 -9.315 -13.920 814 HG21 VAL 539 HG21 VAL 539 10.659 -7.504 -10.755 815 HG22 VAL 539 HG22 VAL 539 9.772 -9.027 -10.838 816 HG23 VAL 539 HG23 VAL 539 9.454 -7.756 -12.019 817 H VAL 540 H VAL 540 12.975 -11.919 -11.855 818 HA VAL 540 HA VAL 540 15.202 -11.376 -13.731 819 HB VAL 540 HB VAL 540 16.158 -13.554 -13.006 820 HG11 VAL 540 HG11 VAL 540 16.922 -11.470 -11.973 821 HG12 VAL 540 HG12 VAL 540 16.955 -12.799 -10.815 822 HG13 VAL 540 HG13 VAL 540 15.658 -11.604 -10.749 823 HG21 VAL 540 HG21 VAL 540 15.290 -14.659 -10.996 824 HG22 VAL 540 HG22 VAL 540 14.081 -14.640 -12.281 825 HG23 VAL 540 HG23 VAL 540 13.952 -13.510 -10.933 826 H LEU 541 H LEU 541 15.675 -13.260 -15.243 827 HA LEU 541 HA LEU 541 13.210 -13.982 -16.625 828 HB2 LEU 541 HB2 LEU 541 16.119 -14.349 -17.366 829 HB3 LEU 541 HB3 LEU 541 14.776 -14.818 -18.392 830 HG LEU 541 HG LEU 541 15.374 -11.987 -17.506 831 HD11 LEU 541 HD11 LEU 541 15.792 -13.317 -20.186 832 HD12 LEU 541 HD12 LEU 541 17.059 -12.831 -19.060 833 HD13 LEU 541 HD13 LEU 541 16.045 -11.608 -19.823 834 HD21 LEU 541 HD21 LEU 541 12.992 -12.374 -17.875 835 HD22 LEU 541 HD22 LEU 541 13.336 -13.056 -19.464 836 HD23 LEU 541 HD23 LEU 541 13.666 -11.353 -19.143 837 H GLU 542 H GLU 542 14.490 -15.332 -14.088 838 HA GLU 542 HA GLU 542 14.175 -18.112 -15.025 839 HB2 GLU 542 HB2 GLU 542 15.912 -18.693 -13.239 840 HB3 GLU 542 HB3 GLU 542 16.496 -17.883 -14.685 841 HG2 GLU 542 HG2 GLU 542 16.377 -15.720 -13.392 842 HG3 GLU 542 HG3 GLU 542 16.072 -16.690 -11.954 Start of MODEL 17 1 H1 MET 435 H1 MET 435 -11.629 18.158 20.106 2 H2 MET 435 H2 MET 435 -10.059 17.645 20.454 3 H3 MET 435 H3 MET 435 -11.281 16.505 20.215 4 HA MET 435 HA MET 435 -11.515 17.200 17.916 5 HB2 MET 435 HB2 MET 435 -10.708 19.543 18.368 6 HB3 MET 435 HB3 MET 435 -9.071 18.910 18.458 7 HG2 MET 435 HG2 MET 435 -9.478 19.888 16.288 8 HG3 MET 435 HG3 MET 435 -9.246 18.147 16.132 9 HE1 MET 435 HE1 MET 435 -11.822 21.108 16.090 10 HE2 MET 435 HE2 MET 435 -12.461 20.098 17.386 11 HE3 MET 435 HE3 MET 435 -13.352 20.259 15.872 12 H GLU 436 H GLU 436 -11.059 15.087 17.537 13 HA GLU 436 HA GLU 436 -8.479 13.981 18.311 14 HB2 GLU 436 HB2 GLU 436 -10.973 12.672 17.198 15 HB3 GLU 436 HB3 GLU 436 -9.526 11.803 17.685 16 HG2 GLU 436 HG2 GLU 436 -11.253 11.684 19.395 17 HG3 GLU 436 HG3 GLU 436 -9.825 12.533 19.985 18 H PHE 437 H PHE 437 -6.954 13.139 16.933 19 HA PHE 437 HA PHE 437 -7.429 13.466 14.034 20 HB2 PHE 437 HB2 PHE 437 -4.819 13.804 15.541 21 HB3 PHE 437 HB3 PHE 437 -4.991 13.875 13.792 22 HD1 PHE 437 HD1 PHE 437 -6.035 15.794 12.715 23 HD2 PHE 437 HD2 PHE 437 -5.570 15.631 16.947 24 HE1 PHE 437 HE1 PHE 437 -6.488 18.209 12.856 25 HE2 PHE 437 HE2 PHE 437 -6.026 18.044 17.092 26 HZ PHE 437 HZ PHE 437 -6.486 19.335 15.047 27 HA PRO 438 HA PRO 438 -6.655 9.053 13.953 28 HB2 PRO 438 HB2 PRO 438 -6.657 8.721 11.268 29 HB3 PRO 438 HB3 PRO 438 -8.137 9.012 12.190 30 HG2 PRO 438 HG2 PRO 438 -6.478 10.958 10.621 31 HG3 PRO 438 HG3 PRO 438 -8.241 10.764 10.647 32 HD2 PRO 438 HD2 PRO 438 -6.967 12.690 12.069 33 HD3 PRO 438 HD3 PRO 438 -8.466 11.922 12.634 34 H ASP 439 H ASP 439 -5.112 7.530 12.860 35 HA ASP 439 HA ASP 439 -2.655 8.768 11.855 36 HB2 ASP 439 HB2 ASP 439 -2.371 8.368 14.313 37 HB3 ASP 439 HB3 ASP 439 -2.657 6.656 14.034 38 H LEU 440 H LEU 440 -3.218 8.004 9.812 39 HA LEU 440 HA LEU 440 -3.835 5.172 9.453 40 HB2 LEU 440 HB2 LEU 440 -3.730 7.422 7.434 41 HB3 LEU 440 HB3 LEU 440 -4.322 5.799 7.130 42 HG LEU 440 HG LEU 440 -5.581 7.767 9.057 43 HD11 LEU 440 HD11 LEU 440 -5.828 8.490 6.732 44 HD12 LEU 440 HD12 LEU 440 -7.370 7.965 7.406 45 HD13 LEU 440 HD13 LEU 440 -6.487 6.909 6.303 46 HD21 LEU 440 HD21 LEU 440 -5.938 5.436 9.710 47 HD22 LEU 440 HD22 LEU 440 -6.538 5.066 8.091 48 HD23 LEU 440 HD23 LEU 440 -7.435 6.170 9.137 49 H THR 441 H THR 441 -2.511 3.690 8.487 50 HA THR 441 HA THR 441 -0.128 4.581 7.052 51 HB THR 441 HB THR 441 0.661 4.400 9.374 52 HG1 THR 441 HG1 THR 441 2.180 3.901 7.828 53 HG21 THR 441 HG21 THR 441 -0.900 2.709 10.202 54 HG22 THR 441 HG22 THR 441 0.772 2.228 10.494 55 HG23 THR 441 HG23 THR 441 -0.137 1.495 9.171 56 H VAL 442 H VAL 442 1.077 2.732 6.087 57 HA VAL 442 HA VAL 442 -0.647 0.422 5.470 58 HB VAL 442 HB VAL 442 0.009 0.564 3.079 59 HG11 VAL 442 HG11 VAL 442 -1.495 2.380 2.464 60 HG12 VAL 442 HG12 VAL 442 -1.373 3.049 4.091 61 HG13 VAL 442 HG13 VAL 442 -2.139 1.484 3.840 62 HG21 VAL 442 HG21 VAL 442 0.978 2.647 2.205 63 HG22 VAL 442 HG22 VAL 442 2.072 1.848 3.334 64 HG23 VAL 442 HG23 VAL 442 1.147 3.258 3.852 65 H GLU 443 H GLU 443 0.425 -1.484 4.938 66 HA GLU 443 HA GLU 443 3.376 -1.467 5.033 67 HB2 GLU 443 HB2 GLU 443 1.454 -3.145 6.612 68 HB3 GLU 443 HB3 GLU 443 3.008 -3.829 6.155 69 HG2 GLU 443 HG2 GLU 443 2.859 -1.172 7.522 70 HG3 GLU 443 HG3 GLU 443 2.757 -2.669 8.450 71 H ILE 444 H ILE 444 4.343 -2.518 3.433 72 HA ILE 444 HA ILE 444 2.711 -4.259 1.681 73 HB ILE 444 HB ILE 444 5.324 -2.893 0.976 74 HG12 ILE 444 HG12 ILE 444 2.500 -2.086 0.208 75 HG13 ILE 444 HG13 ILE 444 3.517 -1.241 1.372 76 HG21 ILE 444 HG21 ILE 444 4.704 -3.478 -1.347 77 HG22 ILE 444 HG22 ILE 444 3.295 -4.347 -0.736 78 HG23 ILE 444 HG23 ILE 444 4.920 -4.903 -0.330 79 HD11 ILE 444 HD11 ILE 444 3.545 -0.089 -0.737 80 HD12 ILE 444 HD12 ILE 444 4.051 -1.556 -1.575 81 HD13 ILE 444 HD13 ILE 444 5.136 -0.777 -0.421 82 H LYS 445 H LYS 445 3.071 -6.363 1.899 83 HA LYS 445 HA LYS 445 5.805 -7.313 2.423 84 HB2 LYS 445 HB2 LYS 445 3.325 -7.922 4.011 85 HB3 LYS 445 HB3 LYS 445 4.639 -9.085 3.941 86 HG2 LYS 445 HG2 LYS 445 6.168 -7.556 4.943 87 HG3 LYS 445 HG3 LYS 445 5.024 -6.221 4.788 88 HD2 LYS 445 HD2 LYS 445 3.612 -7.106 6.470 89 HD3 LYS 445 HD3 LYS 445 4.427 -8.671 6.442 90 HE2 LYS 445 HE2 LYS 445 5.006 -7.261 8.419 91 HE3 LYS 445 HE3 LYS 445 6.396 -7.742 7.449 92 HZ1 LYS 445 HZ1 LYS 445 5.061 -5.083 7.404 93 HZ2 LYS 445 HZ2 LYS 445 6.346 -5.542 6.404 94 HZ3 LYS 445 HZ3 LYS 445 6.568 -5.442 8.074 95 H GLY 446 H GLY 446 6.385 -9.210 1.442 96 HA2 GLY 446 HA2 GLY 446 4.898 -11.243 0.384 97 HA3 GLY 446 HA3 GLY 446 4.806 -9.990 -0.845 98 HA PRO 447 HA PRO 447 8.653 -12.497 -1.674 99 HB2 PRO 447 HB2 PRO 447 8.221 -12.874 -4.324 100 HB3 PRO 447 HB3 PRO 447 7.508 -13.917 -3.088 101 HG2 PRO 447 HG2 PRO 447 6.269 -11.625 -4.575 102 HG3 PRO 447 HG3 PRO 447 5.582 -13.220 -4.207 103 HD2 PRO 447 HD2 PRO 447 4.991 -10.988 -2.764 104 HD3 PRO 447 HD3 PRO 447 5.013 -12.613 -2.050 105 H ASP 448 H ASP 448 10.410 -11.216 -1.780 106 HA ASP 448 HA ASP 448 10.335 -8.697 -3.230 107 HB2 ASP 448 HB2 ASP 448 12.555 -8.306 -2.161 108 HB3 ASP 448 HB3 ASP 448 11.270 -8.651 -1.007 109 H VAL 449 H VAL 449 11.421 -11.872 -3.875 110 HA VAL 449 HA VAL 449 12.842 -10.886 -6.274 111 HB VAL 449 HB VAL 449 13.611 -13.343 -4.665 112 HG11 VAL 449 HG11 VAL 449 13.955 -13.696 -7.052 113 HG12 VAL 449 HG12 VAL 449 15.506 -13.521 -6.229 114 HG13 VAL 449 HG13 VAL 449 14.849 -12.179 -7.166 115 HG21 VAL 449 HG21 VAL 449 15.716 -12.126 -4.219 116 HG22 VAL 449 HG22 VAL 449 14.312 -11.309 -3.531 117 HG23 VAL 449 HG23 VAL 449 15.046 -10.702 -5.015 118 H VAL 450 H VAL 450 11.787 -11.467 -8.076 119 HA VAL 450 HA VAL 450 10.345 -14.041 -8.143 120 HB VAL 450 HB VAL 450 8.457 -13.000 -9.340 121 HG11 VAL 450 HG11 VAL 450 9.009 -11.762 -6.638 122 HG12 VAL 450 HG12 VAL 450 8.276 -13.338 -6.935 123 HG13 VAL 450 HG13 VAL 450 7.429 -11.867 -7.416 124 HG21 VAL 450 HG21 VAL 450 9.823 -10.380 -8.691 125 HG22 VAL 450 HG22 VAL 450 8.195 -10.549 -9.352 126 HG23 VAL 450 HG23 VAL 450 9.590 -11.067 -10.299 127 H GLY 451 H GLY 451 9.752 -14.734 -10.361 128 HA2 GLY 451 HA2 GLY 451 11.901 -14.090 -12.257 129 HA3 GLY 451 HA3 GLY 451 10.839 -15.488 -12.326 130 H VAL 452 H VAL 452 11.382 -13.950 -14.572 131 HA VAL 452 HA VAL 452 9.369 -11.990 -15.058 132 HB VAL 452 HB VAL 452 11.563 -12.115 -16.258 133 HG11 VAL 452 HG11 VAL 452 11.642 -14.520 -16.659 134 HG12 VAL 452 HG12 VAL 452 11.812 -13.620 -18.166 135 HG13 VAL 452 HG13 VAL 452 10.276 -14.392 -17.768 136 HG21 VAL 452 HG21 VAL 452 9.755 -10.720 -17.114 137 HG22 VAL 452 HG22 VAL 452 9.120 -12.084 -18.036 138 HG23 VAL 452 HG23 VAL 452 10.700 -11.405 -18.435 139 H ASN 453 H ASN 453 7.409 -12.156 -16.093 140 HA ASN 453 HA ASN 453 5.461 -13.035 -16.838 141 HB2 ASN 453 HB2 ASN 453 7.268 -15.280 -17.752 142 HB3 ASN 453 HB3 ASN 453 5.556 -15.175 -18.153 143 HD21 ASN 453 HD21 ASN 453 7.945 -15.087 -19.856 144 HD22 ASN 453 HD22 ASN 453 7.818 -13.621 -20.754 145 H LYS 454 H LYS 454 6.707 -13.852 -14.115 146 HA LYS 454 HA LYS 454 5.026 -16.194 -13.545 147 HB2 LYS 454 HB2 LYS 454 7.040 -14.782 -11.780 148 HB3 LYS 454 HB3 LYS 454 6.165 -16.249 -11.360 149 HG2 LYS 454 HG2 LYS 454 8.209 -15.924 -13.553 150 HG3 LYS 454 HG3 LYS 454 8.410 -16.802 -12.036 151 HD2 LYS 454 HD2 LYS 454 6.526 -17.510 -14.297 152 HD3 LYS 454 HD3 LYS 454 8.009 -18.358 -13.861 153 HE2 LYS 454 HE2 LYS 454 7.005 -18.897 -11.657 154 HE3 LYS 454 HE3 LYS 454 5.505 -18.131 -12.185 155 HZ1 LYS 454 HZ1 LYS 454 5.298 -20.451 -12.527 156 HZ2 LYS 454 HZ2 LYS 454 6.786 -20.553 -13.326 157 HZ3 LYS 454 HZ3 LYS 454 5.488 -19.752 -14.053 158 H LEU 455 H LEU 455 4.016 -16.052 -11.191 159 HA LEU 455 HA LEU 455 2.524 -13.503 -11.038 160 HB2 LEU 455 HB2 LEU 455 1.196 -15.502 -11.712 161 HB3 LEU 455 HB3 LEU 455 1.608 -16.257 -10.184 162 HG LEU 455 HG LEU 455 0.426 -14.420 -8.990 163 HD11 LEU 455 HD11 LEU 455 0.659 -12.670 -10.659 164 HD12 LEU 455 HD12 LEU 455 -1.043 -12.926 -10.271 165 HD13 LEU 455 HD13 LEU 455 -0.376 -13.565 -11.774 166 HD21 LEU 455 HD21 LEU 455 -1.844 -15.152 -9.547 167 HD22 LEU 455 HD22 LEU 455 -0.735 -16.519 -9.463 168 HD23 LEU 455 HD23 LEU 455 -1.250 -15.896 -11.031 169 H ALA 456 H ALA 456 2.624 -12.367 -9.180 170 HA ALA 456 HA ALA 456 3.574 -13.722 -6.731 171 HB1 ALA 456 HB1 ALA 456 5.414 -12.455 -7.746 172 HB2 ALA 456 HB2 ALA 456 4.940 -11.785 -6.184 173 HB3 ALA 456 HB3 ALA 456 4.439 -10.986 -7.675 174 H GLU 457 H GLU 457 2.454 -13.288 -4.897 175 HA GLU 457 HA GLU 457 0.322 -11.249 -5.029 176 HB2 GLU 457 HB2 GLU 457 0.577 -13.813 -3.466 177 HB3 GLU 457 HB3 GLU 457 -0.562 -12.565 -2.981 178 HG2 GLU 457 HG2 GLU 457 -1.716 -12.716 -5.079 179 HG3 GLU 457 HG3 GLU 457 -0.521 -13.857 -5.704 180 H TYR 458 H TYR 458 0.402 -9.512 -3.791 181 HA TYR 458 HA TYR 458 2.192 -9.480 -1.428 182 HB2 TYR 458 HB2 TYR 458 1.538 -7.166 -3.280 183 HB3 TYR 458 HB3 TYR 458 2.563 -7.080 -1.852 184 HD1 TYR 458 HD1 TYR 458 2.305 -8.511 -5.265 185 HD2 TYR 458 HD2 TYR 458 4.865 -7.669 -1.964 186 HE1 TYR 458 HE1 TYR 458 4.261 -9.042 -6.653 187 HE2 TYR 458 HE2 TYR 458 6.827 -8.201 -3.346 188 HH TYR 458 HH TYR 458 7.420 -9.404 -5.324 189 H GLU 459 H GLU 459 1.477 -8.139 0.354 190 HA GLU 459 HA GLU 459 -1.437 -7.618 0.333 191 HB2 GLU 459 HB2 GLU 459 0.256 -8.472 2.693 192 HB3 GLU 459 HB3 GLU 459 -1.466 -8.117 2.735 193 HG2 GLU 459 HG2 GLU 459 -1.744 -10.011 1.068 194 HG3 GLU 459 HG3 GLU 459 -0.074 -10.438 1.436 195 H VAL 460 H VAL 460 -1.988 -5.568 0.630 196 HA VAL 460 HA VAL 460 -0.185 -3.719 2.016 197 HB VAL 460 HB VAL 460 -2.863 -3.096 0.741 198 HG11 VAL 460 HG11 VAL 460 -2.104 -1.441 2.370 199 HG12 VAL 460 HG12 VAL 460 -2.048 -0.783 0.736 200 HG13 VAL 460 HG13 VAL 460 -0.559 -1.302 1.528 201 HG21 VAL 460 HG21 VAL 460 -1.403 -3.991 -0.976 202 HG22 VAL 460 HG22 VAL 460 -0.107 -2.900 -0.484 203 HG23 VAL 460 HG23 VAL 460 -1.585 -2.250 -1.193 204 H HIS 461 H HIS 461 -0.378 -3.725 4.181 205 HA HIS 461 HA HIS 461 -2.969 -4.301 5.422 206 HB2 HIS 461 HB2 HIS 461 -0.171 -4.095 6.555 207 HB3 HIS 461 HB3 HIS 461 -1.600 -4.247 7.572 208 HD1 HIS 461 HD1 HIS 461 -2.227 -6.565 8.149 209 HD2 HIS 461 HD2 HIS 461 0.008 -6.412 4.644 210 HE1 HIS 461 HE1 HIS 461 -1.872 -8.954 7.470 211 HE2 HIS 461 HE2 HIS 461 -0.686 -8.834 5.257 212 H VAL 462 H VAL 462 -4.284 -2.634 5.678 213 HA VAL 462 HA VAL 462 -3.152 0.044 6.140 214 HB VAL 462 HB VAL 462 -5.168 0.986 5.208 215 HG11 VAL 462 HG11 VAL 462 -4.139 -1.283 3.497 216 HG12 VAL 462 HG12 VAL 462 -3.465 0.341 3.607 217 HG13 VAL 462 HG13 VAL 462 -5.062 0.099 2.905 218 HG21 VAL 462 HG21 VAL 462 -7.006 -0.384 4.328 219 HG22 VAL 462 HG22 VAL 462 -6.812 -0.620 6.065 220 HG23 VAL 462 HG23 VAL 462 -6.220 -1.840 4.937 221 H LYS 463 H LYS 463 -3.532 1.033 8.034 222 HA LYS 463 HA LYS 463 -5.678 0.064 9.773 223 HB2 LYS 463 HB2 LYS 463 -3.983 -0.067 11.678 224 HB3 LYS 463 HB3 LYS 463 -3.993 -1.377 10.506 225 HG2 LYS 463 HG2 LYS 463 -2.009 -0.668 9.501 226 HG3 LYS 463 HG3 LYS 463 -2.113 0.937 10.216 227 HD2 LYS 463 HD2 LYS 463 -0.403 -0.329 11.367 228 HD3 LYS 463 HD3 LYS 463 -1.776 -0.090 12.451 229 HE2 LYS 463 HE2 LYS 463 -2.574 -2.351 11.932 230 HE3 LYS 463 HE3 LYS 463 -1.191 -2.585 10.865 231 HZ1 LYS 463 HZ1 LYS 463 -0.905 -3.569 13.087 232 HZ2 LYS 463 HZ2 LYS 463 -0.985 -2.026 13.770 233 HZ3 LYS 463 HZ3 LYS 463 0.282 -2.425 12.722 234 H ASN 464 H ASN 464 -6.350 1.440 11.359 235 HA ASN 464 HA ASN 464 -5.296 4.198 11.309 236 HB2 ASN 464 HB2 ASN 464 -7.739 3.756 10.798 237 HB3 ASN 464 HB3 ASN 464 -7.919 3.176 12.446 238 HD21 ASN 464 HD21 ASN 464 -9.263 5.352 11.175 239 HD22 ASN 464 HD22 ASN 464 -8.906 6.766 12.100 240 H LEU 465 H LEU 465 -4.194 4.900 13.089 241 HA LEU 465 HA LEU 465 -4.356 3.256 15.548 242 HB2 LEU 465 HB2 LEU 465 -1.987 4.830 14.519 243 HB3 LEU 465 HB3 LEU 465 -2.016 3.836 15.963 244 HG LEU 465 HG LEU 465 -2.269 2.846 13.115 245 HD11 LEU 465 HD11 LEU 465 -0.006 3.538 13.662 246 HD12 LEU 465 HD12 LEU 465 -0.102 1.782 13.537 247 HD13 LEU 465 HD13 LEU 465 -0.035 2.550 15.123 248 HD21 LEU 465 HD21 LEU 465 -2.233 1.283 15.701 249 HD22 LEU 465 HD22 LEU 465 -2.185 0.592 14.077 250 HD23 LEU 465 HD23 LEU 465 -3.614 1.474 14.618 251 H GLY 466 H GLY 466 -5.555 6.010 14.502 252 HA2 GLY 466 HA2 GLY 466 -4.619 7.831 16.579 253 HA3 GLY 466 HA3 GLY 466 -5.759 8.204 15.301 254 H GLY 467 H GLY 467 -7.181 5.569 16.257 255 HA2 GLY 467 HA2 GLY 467 -8.744 4.963 17.882 256 HA3 GLY 467 HA3 GLY 467 -8.273 6.368 18.824 257 H ILE 468 H ILE 468 -9.058 6.995 15.564 258 HA ILE 468 HA ILE 468 -11.848 7.696 16.184 259 HB ILE 468 HB ILE 468 -10.828 9.796 16.408 260 HG12 ILE 468 HG12 ILE 468 -11.679 9.617 13.500 261 HG13 ILE 468 HG13 ILE 468 -12.749 9.894 14.873 262 HG21 ILE 468 HG21 ILE 468 -9.151 9.179 13.977 263 HG22 ILE 468 HG22 ILE 468 -8.606 9.213 15.654 264 HG23 ILE 468 HG23 ILE 468 -9.137 10.701 14.871 265 HD11 ILE 468 HD11 ILE 468 -12.316 11.955 13.699 266 HD12 ILE 468 HD12 ILE 468 -10.577 11.738 13.897 267 HD13 ILE 468 HD13 ILE 468 -11.598 12.019 15.308 268 H GLY 469 H GLY 469 -13.302 7.288 14.561 269 HA2 GLY 469 HA2 GLY 469 -12.485 5.534 12.461 270 HA3 GLY 469 HA3 GLY 469 -14.106 6.148 12.728 271 H VAL 470 H VAL 470 -12.074 5.881 10.361 272 HA VAL 470 HA VAL 470 -12.591 8.553 9.220 273 HB VAL 470 HB VAL 470 -10.094 6.892 8.801 274 HG11 VAL 470 HG11 VAL 470 -10.715 8.112 6.779 275 HG12 VAL 470 HG12 VAL 470 -9.272 8.815 7.510 276 HG13 VAL 470 HG13 VAL 470 -10.834 9.610 7.704 277 HG21 VAL 470 HG21 VAL 470 -10.492 9.504 10.270 278 HG22 VAL 470 HG22 VAL 470 -8.936 8.731 9.956 279 HG23 VAL 470 HG23 VAL 470 -10.120 7.940 10.998 280 HA PRO 471 HA PRO 471 -14.312 5.897 5.928 281 HB2 PRO 471 HB2 PRO 471 -15.918 7.764 4.860 282 HB3 PRO 471 HB3 PRO 471 -16.331 6.953 6.378 283 HG2 PRO 471 HG2 PRO 471 -15.147 9.670 5.933 284 HG3 PRO 471 HG3 PRO 471 -16.410 9.174 7.074 285 HD2 PRO 471 HD2 PRO 471 -13.759 9.529 7.746 286 HD3 PRO 471 HD3 PRO 471 -14.883 8.485 8.639 287 H SER 472 H SER 472 -12.291 8.582 5.890 288 HA SER 472 HA SER 472 -12.361 9.234 3.084 289 HB2 SER 472 HB2 SER 472 -10.493 10.187 5.267 290 HB3 SER 472 HB3 SER 472 -10.646 10.895 3.661 291 HG SER 472 HG SER 472 -12.974 11.137 4.293 292 H THR 473 H THR 473 -11.209 6.488 4.125 293 HA THR 473 HA THR 473 -8.356 6.816 3.617 294 HB THR 473 HB THR 473 -9.923 4.399 4.557 295 HG1 THR 473 HG1 THR 473 -8.471 6.446 5.877 296 HG21 THR 473 HG21 THR 473 -7.872 3.691 3.435 297 HG22 THR 473 HG22 THR 473 -7.724 3.463 5.178 298 HG23 THR 473 HG23 THR 473 -6.932 4.832 4.398 299 H LYS 474 H LYS 474 -7.957 6.952 1.486 300 HA LYS 474 HA LYS 474 -8.793 4.725 -0.277 301 HB2 LYS 474 HB2 LYS 474 -7.926 7.528 -1.049 302 HB3 LYS 474 HB3 LYS 474 -8.456 6.270 -2.154 303 HG2 LYS 474 HG2 LYS 474 -10.685 6.374 -1.357 304 HG3 LYS 474 HG3 LYS 474 -10.216 7.361 0.031 305 HD2 LYS 474 HD2 LYS 474 -9.971 8.232 -2.850 306 HD3 LYS 474 HD3 LYS 474 -11.328 8.646 -1.799 307 HE2 LYS 474 HE2 LYS 474 -8.429 9.390 -1.364 308 HE3 LYS 474 HE3 LYS 474 -9.712 10.473 -1.899 309 HZ1 LYS 474 HZ1 LYS 474 -9.157 10.620 0.503 310 HZ2 LYS 474 HZ2 LYS 474 -9.749 9.051 0.706 311 HZ3 LYS 474 HZ3 LYS 474 -10.787 10.284 0.196 312 H VAL 475 H VAL 475 -7.194 3.324 -0.772 313 HA VAL 475 HA VAL 475 -4.400 4.131 -0.255 314 HB VAL 475 HB VAL 475 -5.570 1.344 -0.409 315 HG11 VAL 475 HG11 VAL 475 -2.865 2.290 0.560 316 HG12 VAL 475 HG12 VAL 475 -3.177 1.426 -0.946 317 HG13 VAL 475 HG13 VAL 475 -3.458 0.629 0.603 318 HG21 VAL 475 HG21 VAL 475 -4.868 3.020 2.007 319 HG22 VAL 475 HG22 VAL 475 -5.387 1.335 2.039 320 HG23 VAL 475 HG23 VAL 475 -6.494 2.586 1.478 321 H ARG 476 H ARG 476 -2.904 4.130 -1.844 322 HA ARG 476 HA ARG 476 -3.635 2.985 -4.477 323 HB2 ARG 476 HB2 ARG 476 -1.950 5.375 -3.755 324 HB3 ARG 476 HB3 ARG 476 -1.824 4.607 -5.328 325 HG2 ARG 476 HG2 ARG 476 -4.244 5.072 -5.693 326 HG3 ARG 476 HG3 ARG 476 -4.257 5.960 -4.163 327 HD2 ARG 476 HD2 ARG 476 -2.610 7.509 -4.986 328 HD3 ARG 476 HD3 ARG 476 -2.395 6.569 -6.457 329 HE ARG 476 HE ARG 476 -5.077 7.496 -6.167 330 HH11 ARG 476 HH11 ARG 476 -1.889 8.414 -7.089 331 HH12 ARG 476 HH12 ARG 476 -2.429 9.678 -8.139 332 HH21 ARG 476 HH21 ARG 476 -5.764 9.166 -7.534 333 HH22 ARG 476 HH22 ARG 476 -4.577 10.085 -8.391 334 H VAL 477 H VAL 477 -2.057 1.874 -5.680 335 HA VAL 477 HA VAL 477 0.470 1.214 -4.286 336 HB VAL 477 HB VAL 477 -1.180 -0.570 -6.100 337 HG11 VAL 477 HG11 VAL 477 1.521 -1.094 -4.844 338 HG12 VAL 477 HG12 VAL 477 1.178 -0.927 -6.566 339 HG13 VAL 477 HG13 VAL 477 0.531 -2.298 -5.668 340 HG21 VAL 477 HG21 VAL 477 -0.471 -0.814 -3.171 341 HG22 VAL 477 HG22 VAL 477 -1.340 -2.022 -4.116 342 HG23 VAL 477 HG23 VAL 477 -2.061 -0.438 -3.835 343 H TYR 478 H TYR 478 2.274 1.790 -5.335 344 HA TYR 478 HA TYR 478 2.137 2.391 -8.228 345 HB2 TYR 478 HB2 TYR 478 3.936 3.605 -6.115 346 HB3 TYR 478 HB3 TYR 478 4.019 3.964 -7.833 347 HD1 TYR 478 HD1 TYR 478 1.995 5.060 -8.930 348 HD2 TYR 478 HD2 TYR 478 2.469 4.793 -4.704 349 HE1 TYR 478 HE1 TYR 478 0.384 6.893 -8.639 350 HE2 TYR 478 HE2 TYR 478 0.854 6.624 -4.405 351 HH TYR 478 HH TYR 478 0.026 8.590 -5.787 352 H ILE 479 H ILE 479 3.567 1.428 -9.581 353 HA ILE 479 HA ILE 479 5.834 -0.072 -8.418 354 HB ILE 479 HB ILE 479 4.446 -0.549 -11.073 355 HG12 ILE 479 HG12 ILE 479 4.423 -2.197 -8.523 356 HG13 ILE 479 HG13 ILE 479 3.077 -1.239 -9.132 357 HG21 ILE 479 HG21 ILE 479 6.649 -2.128 -9.737 358 HG22 ILE 479 HG22 ILE 479 6.849 -1.068 -11.132 359 HG23 ILE 479 HG23 ILE 479 5.862 -2.523 -11.266 360 HD11 ILE 479 HD11 ILE 479 2.942 -2.677 -11.098 361 HD12 ILE 479 HD12 ILE 479 2.774 -3.598 -9.604 362 HD13 ILE 479 HD13 ILE 479 4.296 -3.633 -10.493 363 H ASN 480 H ASN 480 7.644 1.110 -8.597 364 HA ASN 480 HA ASN 480 9.179 2.641 -9.282 365 HB2 ASN 480 HB2 ASN 480 8.326 1.520 -11.956 366 HB3 ASN 480 HB3 ASN 480 9.643 2.677 -11.794 367 HD21 ASN 480 HD21 ASN 480 9.846 0.015 -12.791 368 HD22 ASN 480 HD22 ASN 480 10.921 -0.832 -11.739 369 H GLY 481 H GLY 481 6.574 3.675 -8.744 370 HA2 GLY 481 HA2 GLY 481 5.770 5.873 -8.768 371 HA3 GLY 481 HA3 GLY 481 6.779 6.218 -10.160 372 H THR 482 H THR 482 5.315 3.484 -11.086 373 HA THR 482 HA THR 482 3.213 4.909 -12.549 374 HB THR 482 HB THR 482 4.203 2.055 -12.850 375 HG1 THR 482 HG1 THR 482 5.744 3.008 -13.931 376 HG21 THR 482 HG21 THR 482 2.974 2.074 -14.989 377 HG22 THR 482 HG22 THR 482 2.320 3.663 -14.589 378 HG23 THR 482 HG23 THR 482 1.892 2.261 -13.609 379 H LEU 483 H LEU 483 1.114 4.834 -11.967 380 HA LEU 483 HA LEU 483 0.223 3.491 -9.652 381 HB2 LEU 483 HB2 LEU 483 -0.807 5.550 -10.521 382 HB3 LEU 483 HB3 LEU 483 -1.405 4.669 -11.915 383 HG LEU 483 HG LEU 483 -2.837 3.301 -10.437 384 HD11 LEU 483 HD11 LEU 483 -1.841 5.106 -8.228 385 HD12 LEU 483 HD12 LEU 483 -1.473 3.389 -8.410 386 HD13 LEU 483 HD13 LEU 483 -3.127 3.907 -8.091 387 HD21 LEU 483 HD21 LEU 483 -3.205 6.276 -10.059 388 HD22 LEU 483 HD22 LEU 483 -4.452 5.043 -9.873 389 HD23 LEU 483 HD23 LEU 483 -3.736 5.339 -11.456 390 H TYR 484 H TYR 484 -0.360 1.450 -9.338 391 HA TYR 484 HA TYR 484 -0.844 -0.297 -11.656 392 HB2 TYR 484 HB2 TYR 484 0.966 -1.040 -10.274 393 HB3 TYR 484 HB3 TYR 484 0.013 -0.852 -8.809 394 HD1 TYR 484 HD1 TYR 484 0.268 -2.864 -11.941 395 HD2 TYR 484 HD2 TYR 484 -1.222 -2.658 -7.956 396 HE1 TYR 484 HE1 TYR 484 -0.393 -5.228 -12.068 397 HE2 TYR 484 HE2 TYR 484 -1.886 -5.018 -8.077 398 HH TYR 484 HH TYR 484 -0.842 -7.103 -10.552 399 H LYS 485 H LYS 485 -2.210 0.421 -8.433 400 HA LYS 485 HA LYS 485 -4.894 0.142 -9.309 401 HB2 LYS 485 HB2 LYS 485 -4.387 -2.248 -9.319 402 HB3 LYS 485 HB3 LYS 485 -3.787 -2.161 -7.669 403 HG2 LYS 485 HG2 LYS 485 -5.923 -1.923 -6.768 404 HG3 LYS 485 HG3 LYS 485 -6.615 -1.392 -8.299 405 HD2 LYS 485 HD2 LYS 485 -7.338 -3.659 -7.726 406 HD3 LYS 485 HD3 LYS 485 -6.388 -3.644 -9.209 407 HE2 LYS 485 HE2 LYS 485 -4.460 -4.500 -8.044 408 HE3 LYS 485 HE3 LYS 485 -5.278 -4.348 -6.491 409 HZ1 LYS 485 HZ1 LYS 485 -5.265 -6.640 -7.389 410 HZ2 LYS 485 HZ2 LYS 485 -6.205 -6.113 -8.689 411 HZ3 LYS 485 HZ3 LYS 485 -6.822 -6.043 -7.119 412 H ASN 486 H ASN 486 -6.473 0.444 -7.500 413 HA ASN 486 HA ASN 486 -5.358 1.246 -4.944 414 HB2 ASN 486 HB2 ASN 486 -6.105 3.506 -4.939 415 HB3 ASN 486 HB3 ASN 486 -5.188 3.281 -6.418 416 HD21 ASN 486 HD21 ASN 486 -7.416 1.914 -7.787 417 HD22 ASN 486 HD22 ASN 486 -8.559 3.147 -8.148 418 H TRP 487 H TRP 487 -6.938 1.591 -3.276 419 HA TRP 487 HA TRP 487 -9.624 0.497 -3.866 420 HB2 TRP 487 HB2 TRP 487 -7.924 -0.180 -1.445 421 HB3 TRP 487 HB3 TRP 487 -9.551 -0.770 -1.762 422 HD1 TRP 487 HD1 TRP 487 -9.807 -2.720 -3.598 423 HE1 TRP 487 HE1 TRP 487 -8.101 -4.395 -4.546 424 HE3 TRP 487 HE3 TRP 487 -5.493 -0.404 -2.137 425 HZ2 TRP 487 HZ2 TRP 487 -5.301 -4.700 -4.659 426 HZ3 TRP 487 HZ3 TRP 487 -3.341 -1.453 -2.703 427 HH2 TRP 487 HH2 TRP 487 -3.249 -3.557 -3.941 428 H THR 488 H THR 488 -11.327 1.348 -2.663 429 HA THR 488 HA THR 488 -10.674 3.553 -0.797 430 HB THR 488 HB THR 488 -13.317 3.036 -2.201 431 HG1 THR 488 HG1 THR 488 -12.151 5.304 -2.997 432 HG21 THR 488 HG21 THR 488 -12.328 5.420 -0.618 433 HG22 THR 488 HG22 THR 488 -13.556 4.267 -0.096 434 HG23 THR 488 HG23 THR 488 -13.868 5.324 -1.474 435 H VAL 489 H VAL 489 -10.913 3.070 1.320 436 HA VAL 489 HA VAL 489 -13.068 1.251 2.152 437 HB VAL 489 HB VAL 489 -11.593 0.042 3.705 438 HG11 VAL 489 HG11 VAL 489 -10.393 -1.340 2.073 439 HG12 VAL 489 HG12 VAL 489 -10.636 -0.100 0.842 440 HG13 VAL 489 HG13 VAL 489 -12.024 -0.951 1.523 441 HG21 VAL 489 HG21 VAL 489 -9.882 1.747 4.046 442 HG22 VAL 489 HG22 VAL 489 -9.331 1.553 2.380 443 HG23 VAL 489 HG23 VAL 489 -9.148 0.230 3.532 444 H SER 490 H SER 490 -13.235 1.195 4.612 445 HA SER 490 HA SER 490 -12.627 3.853 5.762 446 HB2 SER 490 HB2 SER 490 -14.676 3.595 7.140 447 HB3 SER 490 HB3 SER 490 -15.036 3.601 5.413 448 HG SER 490 HG SER 490 -15.752 1.626 5.562 449 H LEU 491 H LEU 491 -11.536 3.908 7.659 450 HA LEU 491 HA LEU 491 -11.128 1.351 9.100 451 HB2 LEU 491 HB2 LEU 491 -9.230 3.684 8.774 452 HB3 LEU 491 HB3 LEU 491 -8.933 2.302 9.815 453 HG LEU 491 HG LEU 491 -9.251 2.158 6.809 454 HD11 LEU 491 HD11 LEU 491 -7.212 3.340 7.417 455 HD12 LEU 491 HD12 LEU 491 -6.838 1.742 6.772 456 HD13 LEU 491 HD13 LEU 491 -6.761 2.030 8.511 457 HD21 LEU 491 HD21 LEU 491 -9.931 0.101 7.937 458 HD22 LEU 491 HD22 LEU 491 -8.405 0.066 8.820 459 HD23 LEU 491 HD23 LEU 491 -8.416 -0.132 7.067 460 H GLY 492 H GLY 492 -12.062 1.314 11.041 461 HA2 GLY 492 HA2 GLY 492 -12.963 3.744 12.324 462 HA3 GLY 492 HA3 GLY 492 -13.229 2.104 12.886 463 HA PRO 493 HA PRO 493 -10.225 4.252 15.766 464 HB2 PRO 493 HB2 PRO 493 -11.346 3.188 18.038 465 HB3 PRO 493 HB3 PRO 493 -11.846 4.720 17.316 466 HG2 PRO 493 HG2 PRO 493 -13.089 2.005 17.044 467 HG3 PRO 493 HG3 PRO 493 -13.876 3.576 17.296 468 HD2 PRO 493 HD2 PRO 493 -13.781 2.429 14.867 469 HD3 PRO 493 HD3 PRO 493 -13.652 4.190 15.066 470 H LYS 494 H LYS 494 -8.400 3.089 15.345 471 HA LYS 494 HA LYS 494 -6.755 1.550 15.610 472 HB2 LYS 494 HB2 LYS 494 -8.582 0.407 17.740 473 HB3 LYS 494 HB3 LYS 494 -6.921 -0.098 17.475 474 HG2 LYS 494 HG2 LYS 494 -7.773 2.695 18.241 475 HG3 LYS 494 HG3 LYS 494 -7.176 1.469 19.363 476 HD2 LYS 494 HD2 LYS 494 -5.043 1.398 18.123 477 HD3 LYS 494 HD3 LYS 494 -5.645 2.650 17.035 478 HE2 LYS 494 HE2 LYS 494 -4.193 3.624 18.732 479 HE3 LYS 494 HE3 LYS 494 -5.847 4.196 18.937 480 HZ1 LYS 494 HZ1 LYS 494 -6.145 2.622 20.734 481 HZ2 LYS 494 HZ2 LYS 494 -4.809 3.610 21.047 482 HZ3 LYS 494 HZ3 LYS 494 -4.576 2.023 20.518 483 H GLU 495 H GLU 495 -8.846 1.178 13.651 484 HA GLU 495 HA GLU 495 -9.280 -1.717 13.528 485 HB2 GLU 495 HB2 GLU 495 -11.156 -0.149 13.093 486 HB3 GLU 495 HB3 GLU 495 -10.282 0.483 11.705 487 HG2 GLU 495 HG2 GLU 495 -11.965 -1.057 10.961 488 HG3 GLU 495 HG3 GLU 495 -10.370 -1.749 10.663 489 H GLU 496 H GLU 496 -8.626 -3.014 11.766 490 HA GLU 496 HA GLU 496 -6.742 -1.816 9.838 491 HB2 GLU 496 HB2 GLU 496 -5.442 -2.935 11.647 492 HB3 GLU 496 HB3 GLU 496 -6.260 -4.447 11.266 493 HG2 GLU 496 HG2 GLU 496 -5.342 -4.164 8.901 494 HG3 GLU 496 HG3 GLU 496 -4.308 -2.906 9.570 495 H LYS 497 H LYS 497 -6.910 -2.557 7.777 496 HA LYS 497 HA LYS 497 -8.539 -4.966 7.254 497 HB2 LYS 497 HB2 LYS 497 -8.434 -2.461 5.548 498 HB3 LYS 497 HB3 LYS 497 -9.355 -3.913 5.187 499 HG2 LYS 497 HG2 LYS 497 -9.806 -2.097 7.554 500 HG3 LYS 497 HG3 LYS 497 -10.757 -2.106 6.069 501 HD2 LYS 497 HD2 LYS 497 -10.474 -4.451 7.958 502 HD3 LYS 497 HD3 LYS 497 -11.837 -3.332 7.932 503 HE2 LYS 497 HE2 LYS 497 -12.325 -3.998 5.614 504 HE3 LYS 497 HE3 LYS 497 -10.972 -5.129 5.661 505 HZ1 LYS 497 HZ1 LYS 497 -13.136 -6.186 6.070 506 HZ2 LYS 497 HZ2 LYS 497 -13.330 -5.249 7.463 507 HZ3 LYS 497 HZ3 LYS 497 -12.074 -6.375 7.370 508 H VAL 498 H VAL 498 -7.730 -6.394 5.730 509 HA VAL 498 HA VAL 498 -4.998 -5.841 4.772 510 HB VAL 498 HB VAL 498 -6.409 -8.514 4.970 511 HG11 VAL 498 HG11 VAL 498 -4.150 -9.459 4.650 512 HG12 VAL 498 HG12 VAL 498 -3.519 -7.830 4.392 513 HG13 VAL 498 HG13 VAL 498 -4.684 -8.515 3.259 514 HG21 VAL 498 HG21 VAL 498 -4.339 -7.292 6.807 515 HG22 VAL 498 HG22 VAL 498 -4.986 -8.931 6.923 516 HG23 VAL 498 HG23 VAL 498 -6.043 -7.545 7.188 517 H LEU 499 H LEU 499 -4.805 -5.235 2.719 518 HA LEU 499 HA LEU 499 -6.770 -6.151 0.715 519 HB2 LEU 499 HB2 LEU 499 -4.788 -3.873 0.521 520 HB3 LEU 499 HB3 LEU 499 -6.053 -4.254 -0.631 521 HG LEU 499 HG LEU 499 -6.546 -3.360 2.220 522 HD11 LEU 499 HD11 LEU 499 -6.760 -1.795 -0.354 523 HD12 LEU 499 HD12 LEU 499 -5.549 -1.562 0.907 524 HD13 LEU 499 HD13 LEU 499 -7.247 -1.230 1.244 525 HD21 LEU 499 HD21 LEU 499 -8.338 -4.760 1.326 526 HD22 LEU 499 HD22 LEU 499 -8.450 -3.724 -0.098 527 HD23 LEU 499 HD23 LEU 499 -8.867 -3.086 1.492 528 H THR 500 H THR 500 -6.105 -7.282 -1.093 529 HA THR 500 HA THR 500 -3.225 -7.949 -1.269 530 HB THR 500 HB THR 500 -3.906 -10.141 -2.265 531 HG1 THR 500 HG1 THR 500 -6.218 -10.677 -1.517 532 HG21 THR 500 HG21 THR 500 -3.246 -10.020 0.082 533 HG22 THR 500 HG22 THR 500 -4.507 -11.229 -0.162 534 HG23 THR 500 HG23 THR 500 -4.910 -9.663 0.544 535 H PHE 501 H PHE 501 -2.335 -8.311 -3.324 536 HA PHE 501 HA PHE 501 -4.036 -8.163 -5.665 537 HB2 PHE 501 HB2 PHE 501 -2.736 -6.406 -6.785 538 HB3 PHE 501 HB3 PHE 501 -3.511 -5.798 -5.330 539 HD1 PHE 501 HD1 PHE 501 -2.155 -5.296 -3.320 540 HD2 PHE 501 HD2 PHE 501 -0.356 -6.437 -7.011 541 HE1 PHE 501 HE1 PHE 501 0.002 -4.407 -2.545 542 HE2 PHE 501 HE2 PHE 501 1.803 -5.551 -6.236 543 HZ PHE 501 HZ PHE 501 1.983 -4.533 -4.000 544 H SER 502 H SER 502 -3.104 -9.058 -7.527 545 HA SER 502 HA SER 502 -0.602 -10.558 -7.064 546 HB2 SER 502 HB2 SER 502 -1.590 -12.254 -8.678 547 HB3 SER 502 HB3 SER 502 -2.397 -12.137 -7.117 548 HG SER 502 HG SER 502 -3.430 -11.782 -9.557 549 H TRP 503 H TRP 503 1.013 -9.873 -8.287 550 HA TRP 503 HA TRP 503 0.406 -8.463 -10.805 551 HB2 TRP 503 HB2 TRP 503 1.435 -7.039 -9.135 552 HB3 TRP 503 HB3 TRP 503 2.742 -8.192 -8.900 553 HD1 TRP 503 HD1 TRP 503 1.368 -6.480 -12.124 554 HE1 TRP 503 HE1 TRP 503 3.370 -5.460 -13.380 555 HE3 TRP 503 HE3 TRP 503 5.090 -7.726 -8.852 556 HZ2 TRP 503 HZ2 TRP 503 6.158 -5.209 -13.019 557 HZ3 TRP 503 HZ3 TRP 503 7.396 -7.053 -9.377 558 HH2 TRP 503 HH2 TRP 503 7.919 -5.821 -11.420 559 H THR 504 H THR 504 1.279 -9.120 -12.696 560 HA THR 504 HA THR 504 3.247 -11.329 -12.653 561 HB THR 504 HB THR 504 1.215 -10.621 -14.792 562 HG1 THR 504 HG1 THR 504 1.438 -13.034 -13.297 563 HG21 THR 504 HG21 THR 504 3.288 -11.436 -15.821 564 HG22 THR 504 HG22 THR 504 1.997 -12.630 -15.971 565 HG23 THR 504 HG23 THR 504 3.265 -12.849 -14.764 566 HA PRO 505 HA PRO 505 5.779 -7.944 -14.379 567 HB2 PRO 505 HB2 PRO 505 8.174 -9.065 -13.779 568 HB3 PRO 505 HB3 PRO 505 7.200 -8.203 -12.583 569 HG2 PRO 505 HG2 PRO 505 7.439 -11.158 -13.053 570 HG3 PRO 505 HG3 PRO 505 7.442 -10.267 -11.518 571 HD2 PRO 505 HD2 PRO 505 5.236 -11.538 -12.469 572 HD3 PRO 505 HD3 PRO 505 5.141 -10.061 -11.486 573 H THR 506 H THR 506 5.060 -8.502 -16.538 574 HA THR 506 HA THR 506 6.192 -10.724 -17.960 575 HB THR 506 HB THR 506 5.185 -9.613 -19.991 576 HG1 THR 506 HG1 THR 506 4.933 -7.513 -19.655 577 HG21 THR 506 HG21 THR 506 3.945 -11.289 -18.720 578 HG22 THR 506 HG22 THR 506 2.856 -10.026 -19.299 579 HG23 THR 506 HG23 THR 506 3.366 -10.045 -17.609 580 H GLN 507 H GLN 507 7.781 -8.110 -16.933 581 HA GLN 507 HA GLN 507 9.742 -8.344 -19.088 582 HB2 GLN 507 HB2 GLN 507 8.303 -6.303 -19.508 583 HB3 GLN 507 HB3 GLN 507 8.917 -5.638 -17.999 584 HG2 GLN 507 HG2 GLN 507 10.154 -4.694 -19.816 585 HG3 GLN 507 HG3 GLN 507 11.214 -5.784 -18.925 586 HE21 GLN 507 HE21 GLN 507 12.588 -6.116 -20.643 587 HE22 GLN 507 HE22 GLN 507 12.144 -7.025 -22.039 588 H GLU 508 H GLU 508 11.837 -8.333 -18.360 589 HA GLU 508 HA GLU 508 12.208 -8.677 -15.533 590 HB2 GLU 508 HB2 GLU 508 14.390 -9.430 -16.030 591 HB3 GLU 508 HB3 GLU 508 13.374 -10.008 -17.339 592 HG2 GLU 508 HG2 GLU 508 15.265 -7.662 -17.430 593 HG3 GLU 508 HG3 GLU 508 15.490 -9.230 -18.195 594 H GLY 509 H GLY 509 13.629 -7.525 -14.145 595 HA2 GLY 509 HA2 GLY 509 15.324 -5.524 -14.405 596 HA3 GLY 509 HA3 GLY 509 13.840 -4.671 -14.799 597 H MET 510 H MET 510 14.669 -3.388 -12.889 598 HA MET 510 HA MET 510 13.992 -4.627 -10.311 599 HB2 MET 510 HB2 MET 510 16.176 -3.361 -10.665 600 HB3 MET 510 HB3 MET 510 15.208 -1.892 -10.744 601 HG2 MET 510 HG2 MET 510 16.148 -2.231 -8.518 602 HG3 MET 510 HG3 MET 510 14.383 -2.296 -8.487 603 HE1 MET 510 HE1 MET 510 15.274 -4.904 -5.720 604 HE2 MET 510 HE2 MET 510 14.333 -3.468 -6.124 605 HE3 MET 510 HE3 MET 510 16.094 -3.377 -6.046 606 H TYR 511 H TYR 511 12.079 -4.208 -9.349 607 HA TYR 511 HA TYR 511 10.589 -1.787 -10.161 608 HB2 TYR 511 HB2 TYR 511 9.439 -4.561 -9.764 609 HB3 TYR 511 HB3 TYR 511 8.495 -3.110 -10.082 610 HD1 TYR 511 HD1 TYR 511 10.813 -5.571 -11.517 611 HD2 TYR 511 HD2 TYR 511 8.418 -2.139 -12.315 612 HE1 TYR 511 HE1 TYR 511 11.082 -5.952 -13.928 613 HE2 TYR 511 HE2 TYR 511 8.686 -2.516 -14.731 614 HH TYR 511 HH TYR 511 10.026 -5.408 -16.010 615 H ARG 512 H ARG 512 10.477 -0.515 -8.444 616 HA ARG 512 HA ARG 512 10.238 -1.643 -5.755 617 HB2 ARG 512 HB2 ARG 512 11.900 0.097 -6.047 618 HB3 ARG 512 HB3 ARG 512 10.700 1.187 -6.726 619 HG2 ARG 512 HG2 ARG 512 9.543 1.276 -4.581 620 HG3 ARG 512 HG3 ARG 512 10.714 0.150 -3.891 621 HD2 ARG 512 HD2 ARG 512 11.388 2.867 -5.027 622 HD3 ARG 512 HD3 ARG 512 11.166 2.520 -3.314 623 HE ARG 512 HE ARG 512 13.142 0.843 -4.545 624 HH11 ARG 512 HH11 ARG 512 12.611 3.947 -3.149 625 HH12 ARG 512 HH12 ARG 512 14.256 4.122 -2.648 626 HH21 ARG 512 HH21 ARG 512 15.249 1.091 -3.907 627 HH22 ARG 512 HH22 ARG 512 15.730 2.531 -3.079 628 H ILE 513 H ILE 513 8.307 -1.892 -4.841 629 HA ILE 513 HA ILE 513 5.976 -0.492 -5.917 630 HB ILE 513 HB ILE 513 6.133 -2.768 -3.923 631 HG12 ILE 513 HG12 ILE 513 5.378 -2.780 -6.865 632 HG13 ILE 513 HG13 ILE 513 6.895 -3.379 -6.202 633 HG21 ILE 513 HG21 ILE 513 3.734 -1.565 -5.317 634 HG22 ILE 513 HG22 ILE 513 4.118 -1.435 -3.599 635 HG23 ILE 513 HG23 ILE 513 3.714 -3.003 -4.297 636 HD11 ILE 513 HD11 ILE 513 5.679 -5.102 -4.974 637 HD12 ILE 513 HD12 ILE 513 5.364 -5.193 -6.707 638 HD13 ILE 513 HD13 ILE 513 4.156 -4.496 -5.627 639 H ASN 514 H ASN 514 5.087 1.200 -4.921 640 HA ASN 514 HA ASN 514 5.567 1.614 -2.034 641 HB2 ASN 514 HB2 ASN 514 5.499 3.689 -4.238 642 HB3 ASN 514 HB3 ASN 514 5.466 4.084 -2.524 643 HD21 ASN 514 HD21 ASN 514 7.306 3.669 -1.271 644 HD22 ASN 514 HD22 ASN 514 8.859 3.498 -1.996 645 H ALA 515 H ALA 515 3.779 1.841 -0.820 646 HA ALA 515 HA ALA 515 1.212 2.360 -2.198 647 HB1 ALA 515 HB1 ALA 515 1.324 0.140 -1.151 648 HB2 ALA 515 HB2 ALA 515 0.098 1.160 -0.393 649 HB3 ALA 515 HB3 ALA 515 1.648 0.896 0.410 650 H THR 516 H THR 516 -0.236 3.830 -1.334 651 HA THR 516 HA THR 516 0.669 5.460 0.965 652 HB THR 516 HB THR 516 -0.249 7.484 -0.147 653 HG1 THR 516 HG1 THR 516 -0.736 7.359 -2.387 654 HG21 THR 516 HG21 THR 516 1.560 7.803 -1.777 655 HG22 THR 516 HG22 THR 516 1.880 6.070 -1.768 656 HG23 THR 516 HG23 THR 516 2.151 7.024 -0.309 657 H VAL 517 H VAL 517 -0.926 6.039 2.421 658 HA VAL 517 HA VAL 517 -3.653 5.081 1.841 659 HB VAL 517 HB VAL 517 -2.715 4.259 3.934 660 HG11 VAL 517 HG11 VAL 517 -2.172 5.750 5.797 661 HG12 VAL 517 HG12 VAL 517 -2.468 7.151 4.769 662 HG13 VAL 517 HG13 VAL 517 -1.136 6.055 4.405 663 HG21 VAL 517 HG21 VAL 517 -4.492 4.948 5.479 664 HG22 VAL 517 HG22 VAL 517 -5.118 4.637 3.859 665 HG23 VAL 517 HG23 VAL 517 -4.891 6.297 4.414 666 H ASP 518 H ASP 518 -5.425 6.440 1.893 667 HA ASP 518 HA ASP 518 -6.312 8.289 0.857 668 HB2 ASP 518 HB2 ASP 518 -6.703 8.502 3.363 669 HB3 ASP 518 HB3 ASP 518 -5.381 9.666 3.386 670 H GLU 519 H GLU 519 -4.655 8.272 -0.771 671 HA GLU 519 HA GLU 519 -2.253 9.610 -0.763 672 HB2 GLU 519 HB2 GLU 519 -3.187 8.073 -2.531 673 HB3 GLU 519 HB3 GLU 519 -4.123 9.428 -3.133 674 HG2 GLU 519 HG2 GLU 519 -1.130 9.470 -2.924 675 HG3 GLU 519 HG3 GLU 519 -1.980 8.883 -4.346 676 H GLU 520 H GLU 520 -5.436 10.944 -1.615 677 HA GLU 520 HA GLU 520 -4.487 13.545 -2.279 678 HB2 GLU 520 HB2 GLU 520 -7.280 12.777 -1.390 679 HB3 GLU 520 HB3 GLU 520 -6.818 14.200 -2.317 680 HG2 GLU 520 HG2 GLU 520 -6.042 12.644 -4.130 681 HG3 GLU 520 HG3 GLU 520 -6.779 11.328 -3.217 682 H ASN 521 H ASN 521 -4.971 11.975 0.685 683 HA ASN 521 HA ASN 521 -5.186 12.564 2.847 684 HB2 ASN 521 HB2 ASN 521 -2.891 13.387 2.363 685 HB3 ASN 521 HB3 ASN 521 -3.561 14.982 2.029 686 HD21 ASN 521 HD21 ASN 521 -3.187 12.529 4.506 687 HD22 ASN 521 HD22 ASN 521 -3.319 13.601 5.850 688 H THR 522 H THR 522 -7.433 12.840 2.601 689 HA THR 522 HA THR 522 -8.451 15.594 2.587 690 HB THR 522 HB THR 522 -10.690 14.569 2.442 691 HG1 THR 522 HG1 THR 522 -9.204 12.228 2.936 692 HG21 THR 522 HG21 THR 522 -9.449 15.017 0.367 693 HG22 THR 522 HG22 THR 522 -10.470 13.586 0.201 694 HG23 THR 522 HG23 THR 522 -8.733 13.407 0.445 695 H VAL 523 H VAL 523 -7.209 13.558 4.790 696 HA VAL 523 HA VAL 523 -8.666 14.856 6.985 697 HB VAL 523 HB VAL 523 -9.619 12.586 6.748 698 HG11 VAL 523 HG11 VAL 523 -7.695 11.439 5.787 699 HG12 VAL 523 HG12 VAL 523 -8.264 10.605 7.233 700 HG13 VAL 523 HG13 VAL 523 -6.817 11.610 7.309 701 HG21 VAL 523 HG21 VAL 523 -9.330 11.870 9.076 702 HG22 VAL 523 HG22 VAL 523 -9.540 13.617 8.958 703 HG23 VAL 523 HG23 VAL 523 -7.936 12.938 9.232 704 H VAL 524 H VAL 524 -7.366 15.376 8.767 705 HA VAL 524 HA VAL 524 -4.499 15.299 8.257 706 HB VAL 524 HB VAL 524 -6.018 16.636 10.511 707 HG11 VAL 524 HG11 VAL 524 -3.710 16.218 11.138 708 HG12 VAL 524 HG12 VAL 524 -3.939 17.939 10.827 709 HG13 VAL 524 HG13 VAL 524 -3.141 16.924 9.625 710 HG21 VAL 524 HG21 VAL 524 -4.938 17.773 7.925 711 HG22 VAL 524 HG22 VAL 524 -5.649 18.714 9.237 712 HG23 VAL 524 HG23 VAL 524 -6.639 17.559 8.342 713 H GLU 525 H GLU 525 -3.299 13.639 8.965 714 HA GLU 525 HA GLU 525 -4.168 12.061 11.265 715 HB2 GLU 525 HB2 GLU 525 -1.773 11.586 9.473 716 HB3 GLU 525 HB3 GLU 525 -2.453 10.463 10.641 717 HG2 GLU 525 HG2 GLU 525 -3.351 9.605 8.740 718 HG3 GLU 525 HG3 GLU 525 -4.618 10.758 9.153 719 H LEU 526 H LEU 526 -2.395 11.274 12.766 720 HA LEU 526 HA LEU 526 -1.217 13.461 14.131 721 HB2 LEU 526 HB2 LEU 526 -0.775 10.485 14.432 722 HB3 LEU 526 HB3 LEU 526 -0.192 11.696 15.560 723 HG LEU 526 HG LEU 526 -3.108 11.175 14.943 724 HD11 LEU 526 HD11 LEU 526 -1.460 10.381 17.347 725 HD12 LEU 526 HD12 LEU 526 -2.107 9.290 16.121 726 HD13 LEU 526 HD13 LEU 526 -3.204 10.177 17.178 727 HD21 LEU 526 HD21 LEU 526 -1.807 12.928 17.035 728 HD22 LEU 526 HD22 LEU 526 -3.537 12.622 16.874 729 HD23 LEU 526 HD23 LEU 526 -2.675 13.486 15.605 730 H ASN 527 H ASN 527 0.012 11.244 11.725 731 HA ASN 527 HA ASN 527 2.580 12.666 11.715 732 HB2 ASN 527 HB2 ASN 527 3.035 10.740 13.085 733 HB3 ASN 527 HB3 ASN 527 2.253 9.664 11.934 734 HD21 ASN 527 HD21 ASN 527 4.108 8.407 11.803 735 HD22 ASN 527 HD22 ASN 527 5.508 8.926 10.929 736 H GLU 528 H GLU 528 3.245 13.166 9.706 737 HA GLU 528 HA GLU 528 1.578 12.383 7.463 738 HB2 GLU 528 HB2 GLU 528 4.012 14.180 7.447 739 HB3 GLU 528 HB3 GLU 528 2.747 14.091 6.228 740 HG2 GLU 528 HG2 GLU 528 1.131 14.926 7.915 741 HG3 GLU 528 HG3 GLU 528 2.466 15.113 9.050 742 H ASN 529 H ASN 529 4.707 11.570 8.724 743 HA ASN 529 HA ASN 529 5.715 10.382 6.288 744 HB2 ASN 529 HB2 ASN 529 7.196 11.361 8.047 745 HB3 ASN 529 HB3 ASN 529 6.702 10.076 9.142 746 HD21 ASN 529 HD21 ASN 529 7.418 9.799 5.695 747 HD22 ASN 529 HD22 ASN 529 8.779 8.761 5.895 748 H ASN 530 H ASN 530 3.227 9.501 8.088 749 HA ASN 530 HA ASN 530 3.845 6.679 8.514 750 HB2 ASN 530 HB2 ASN 530 2.600 8.263 10.138 751 HB3 ASN 530 HB3 ASN 530 1.218 8.058 9.070 752 HD21 ASN 530 HD21 ASN 530 -0.027 7.017 10.556 753 HD22 ASN 530 HD22 ASN 530 0.315 5.433 11.145 754 H ASN 531 H ASN 531 2.335 8.660 6.161 755 HA ASN 531 HA ASN 531 0.236 6.912 5.342 756 HB2 ASN 531 HB2 ASN 531 1.480 9.314 3.990 757 HB3 ASN 531 HB3 ASN 531 0.032 8.494 3.414 758 HD21 ASN 531 HD21 ASN 531 -1.894 8.940 4.359 759 HD22 ASN 531 HD22 ASN 531 -2.100 10.065 5.655 760 H VAL 532 H VAL 532 3.603 7.045 4.450 761 HA VAL 532 HA VAL 532 3.049 5.561 1.952 762 HB VAL 532 HB VAL 532 5.548 7.116 2.663 763 HG11 VAL 532 HG11 VAL 532 4.671 5.835 0.066 764 HG12 VAL 532 HG12 VAL 532 6.018 5.331 1.088 765 HG13 VAL 532 HG13 VAL 532 6.078 6.884 0.255 766 HG21 VAL 532 HG21 VAL 532 4.746 8.810 1.089 767 HG22 VAL 532 HG22 VAL 532 3.609 8.594 2.419 768 HG23 VAL 532 HG23 VAL 532 3.262 7.889 0.840 769 H ALA 533 H ALA 533 4.038 3.634 1.497 770 HA ALA 533 HA ALA 533 6.062 2.586 3.385 771 HB1 ALA 533 HB1 ALA 533 3.832 0.973 2.134 772 HB2 ALA 533 HB2 ALA 533 3.902 1.496 3.819 773 HB3 ALA 533 HB3 ALA 533 5.097 0.357 3.199 774 H THR 534 H THR 534 7.753 1.402 2.473 775 HA THR 534 HA THR 534 7.885 1.411 -0.490 776 HB THR 534 HB THR 534 10.186 1.787 1.453 777 HG1 THR 534 HG1 THR 534 9.407 3.771 1.405 778 HG21 THR 534 HG21 THR 534 11.515 2.300 -0.548 779 HG22 THR 534 HG22 THR 534 10.127 1.926 -1.571 780 HG23 THR 534 HG23 THR 534 10.885 0.654 -0.610 781 H PHE 535 H PHE 535 8.215 -0.516 -1.461 782 HA PHE 535 HA PHE 535 9.802 -2.581 -0.103 783 HB2 PHE 535 HB2 PHE 535 7.382 -3.045 0.341 784 HB3 PHE 535 HB3 PHE 535 7.122 -3.178 -1.392 785 HD1 PHE 535 HD1 PHE 535 8.725 -4.733 1.537 786 HD2 PHE 535 HD2 PHE 535 7.754 -5.158 -2.591 787 HE1 PHE 535 HE1 PHE 535 9.295 -7.123 1.652 788 HE2 PHE 535 HE2 PHE 535 8.320 -7.550 -2.477 789 HZ PHE 535 HZ PHE 535 9.092 -8.534 -0.358 790 H ASP 536 H ASP 536 11.410 -3.140 -1.471 791 HA ASP 536 HA ASP 536 11.103 -2.618 -4.335 792 HB2 ASP 536 HB2 ASP 536 13.550 -2.912 -4.435 793 HB3 ASP 536 HB3 ASP 536 13.077 -1.702 -3.247 794 H VAL 537 H VAL 537 11.149 -4.138 -5.932 795 HA VAL 537 HA VAL 537 11.494 -6.972 -5.154 796 HB VAL 537 HB VAL 537 9.502 -5.909 -7.178 797 HG11 VAL 537 HG11 VAL 537 10.340 -8.114 -7.787 798 HG12 VAL 537 HG12 VAL 537 8.666 -8.226 -7.241 799 HG13 VAL 537 HG13 VAL 537 9.977 -8.720 -6.169 800 HG21 VAL 537 HG21 VAL 537 8.996 -7.084 -4.439 801 HG22 VAL 537 HG22 VAL 537 7.767 -6.570 -5.597 802 HG23 VAL 537 HG23 VAL 537 8.846 -5.380 -4.868 803 H SER 538 H SER 538 12.823 -8.177 -6.414 804 HA SER 538 HA SER 538 13.966 -6.942 -8.838 805 HB2 SER 538 HB2 SER 538 15.615 -7.559 -7.138 806 HB3 SER 538 HB3 SER 538 15.014 -9.216 -7.123 807 HG SER 538 HG SER 538 16.535 -7.877 -9.067 808 H VAL 539 H VAL 539 13.468 -7.734 -10.794 809 HA VAL 539 HA VAL 539 12.156 -10.374 -10.964 810 HB VAL 539 HB VAL 539 12.004 -8.064 -12.920 811 HG11 VAL 539 HG11 VAL 539 11.748 -10.203 -14.049 812 HG12 VAL 539 HG12 VAL 539 10.195 -9.371 -13.975 813 HG13 VAL 539 HG13 VAL 539 10.533 -10.708 -12.874 814 HG21 VAL 539 HG21 VAL 539 10.861 -7.586 -10.799 815 HG22 VAL 539 HG22 VAL 539 9.933 -9.076 -10.963 816 HG23 VAL 539 HG23 VAL 539 9.717 -7.768 -12.129 817 H VAL 540 H VAL 540 13.252 -11.976 -11.883 818 HA VAL 540 HA VAL 540 15.584 -11.337 -13.591 819 HB VAL 540 HB VAL 540 16.520 -13.515 -12.908 820 HG11 VAL 540 HG11 VAL 540 15.762 -11.717 -10.600 821 HG12 VAL 540 HG12 VAL 540 17.157 -11.528 -11.664 822 HG13 VAL 540 HG13 VAL 540 17.057 -12.915 -10.579 823 HG21 VAL 540 HG21 VAL 540 15.499 -14.761 -11.039 824 HG22 VAL 540 HG22 VAL 540 14.456 -14.728 -12.462 825 HG23 VAL 540 HG23 VAL 540 14.109 -13.675 -11.089 826 H LEU 541 H LEU 541 16.142 -12.930 -15.263 827 HA LEU 541 HA LEU 541 13.821 -13.718 -16.808 828 HB2 LEU 541 HB2 LEU 541 16.786 -13.849 -17.330 829 HB3 LEU 541 HB3 LEU 541 15.595 -14.441 -18.473 830 HG LEU 541 HG LEU 541 15.789 -11.575 -17.515 831 HD11 LEU 541 HD11 LEU 541 16.659 -11.078 -19.741 832 HD12 LEU 541 HD12 LEU 541 16.631 -12.793 -20.150 833 HD13 LEU 541 HD13 LEU 541 17.716 -12.205 -18.890 834 HD21 LEU 541 HD21 LEU 541 13.514 -12.236 -18.147 835 HD22 LEU 541 HD22 LEU 541 14.110 -12.825 -19.700 836 HD23 LEU 541 HD23 LEU 541 14.197 -11.105 -19.314 837 H GLU 542 H GLU 542 14.811 -15.217 -14.287 838 HA GLU 542 HA GLU 542 14.485 -17.907 -15.414 839 HB2 GLU 542 HB2 GLU 542 16.204 -18.693 -13.673 840 HB3 GLU 542 HB3 GLU 542 16.810 -17.879 -15.109 841 HG2 GLU 542 HG2 GLU 542 16.980 -15.780 -13.801 842 HG3 GLU 542 HG3 GLU 542 16.470 -16.669 -12.367 Start of MODEL 18 1 H1 MET 435 H1 MET 435 -10.185 16.704 21.568 2 H2 MET 435 H2 MET 435 -11.485 15.780 21.009 3 H3 MET 435 H3 MET 435 -11.598 17.468 21.041 4 HA MET 435 HA MET 435 -11.243 16.661 18.798 5 HB2 MET 435 HB2 MET 435 -10.366 18.874 19.493 6 HB3 MET 435 HB3 MET 435 -8.840 18.119 19.932 7 HG2 MET 435 HG2 MET 435 -8.528 17.436 17.584 8 HG3 MET 435 HG3 MET 435 -10.025 18.263 17.164 9 HE1 MET 435 HE1 MET 435 -9.787 20.837 19.125 10 HE2 MET 435 HE2 MET 435 -10.357 20.911 17.456 11 HE3 MET 435 HE3 MET 435 -9.081 21.998 18.002 12 H GLU 436 H GLU 436 -10.869 14.580 18.198 13 HA GLU 436 HA GLU 436 -8.317 13.311 18.898 14 HB2 GLU 436 HB2 GLU 436 -10.835 12.161 17.666 15 HB3 GLU 436 HB3 GLU 436 -9.379 11.235 17.999 16 HG2 GLU 436 HG2 GLU 436 -10.896 10.784 19.751 17 HG3 GLU 436 HG3 GLU 436 -9.653 11.839 20.419 18 H PHE 437 H PHE 437 -6.806 12.721 17.411 19 HA PHE 437 HA PHE 437 -7.255 13.575 14.616 20 HB2 PHE 437 HB2 PHE 437 -4.639 13.357 16.127 21 HB3 PHE 437 HB3 PHE 437 -4.821 13.895 14.463 22 HD1 PHE 437 HD1 PHE 437 -5.740 16.100 13.960 23 HD2 PHE 437 HD2 PHE 437 -5.210 14.796 17.983 24 HE1 PHE 437 HE1 PHE 437 -6.002 18.416 14.745 25 HE2 PHE 437 HE2 PHE 437 -5.472 17.111 18.769 26 HZ PHE 437 HZ PHE 437 -5.870 18.922 17.150 27 HA PRO 438 HA PRO 438 -6.707 9.229 13.646 28 HB2 PRO 438 HB2 PRO 438 -6.749 9.415 10.945 29 HB3 PRO 438 HB3 PRO 438 -8.202 9.591 11.935 30 HG2 PRO 438 HG2 PRO 438 -6.499 11.704 10.680 31 HG3 PRO 438 HG3 PRO 438 -8.263 11.614 10.795 32 HD2 PRO 438 HD2 PRO 438 -6.706 13.146 12.452 33 HD3 PRO 438 HD3 PRO 438 -8.289 12.491 12.916 34 H ASP 439 H ASP 439 -5.291 7.871 12.225 35 HA ASP 439 HA ASP 439 -2.804 8.976 11.281 36 HB2 ASP 439 HB2 ASP 439 -2.489 8.695 13.780 37 HB3 ASP 439 HB3 ASP 439 -2.709 6.964 13.549 38 H LEU 440 H LEU 440 -3.233 8.069 9.304 39 HA LEU 440 HA LEU 440 -3.976 5.230 9.148 40 HB2 LEU 440 HB2 LEU 440 -3.951 7.334 6.974 41 HB3 LEU 440 HB3 LEU 440 -4.625 5.719 6.847 42 HG LEU 440 HG LEU 440 -5.659 7.858 8.721 43 HD11 LEU 440 HD11 LEU 440 -6.719 6.957 6.041 44 HD12 LEU 440 HD12 LEU 440 -6.030 8.535 6.428 45 HD13 LEU 440 HD13 LEU 440 -7.553 8.035 7.162 46 HD21 LEU 440 HD21 LEU 440 -6.097 5.589 9.508 47 HD22 LEU 440 HD22 LEU 440 -6.804 5.172 7.947 48 HD23 LEU 440 HD23 LEU 440 -7.586 6.368 8.977 49 H THR 441 H THR 441 -2.362 3.814 8.888 50 HA THR 441 HA THR 441 -0.065 4.608 7.198 51 HB THR 441 HB THR 441 0.608 4.470 9.551 52 HG1 THR 441 HG1 THR 441 2.276 3.944 8.277 53 HG21 THR 441 HG21 THR 441 -0.998 2.806 10.352 54 HG22 THR 441 HG22 THR 441 0.655 2.312 10.720 55 HG23 THR 441 HG23 THR 441 -0.211 1.563 9.377 56 H VAL 442 H VAL 442 0.941 2.993 5.950 57 HA VAL 442 HA VAL 442 -0.738 0.616 5.427 58 HB VAL 442 HB VAL 442 -0.176 0.787 3.053 59 HG11 VAL 442 HG11 VAL 442 -1.468 2.794 2.480 60 HG12 VAL 442 HG12 VAL 442 -1.275 3.394 4.128 61 HG13 VAL 442 HG13 VAL 442 -2.202 1.923 3.826 62 HG21 VAL 442 HG21 VAL 442 1.289 3.322 3.809 63 HG22 VAL 442 HG22 VAL 442 0.983 2.773 2.162 64 HG23 VAL 442 HG23 VAL 442 2.019 1.825 3.227 65 H GLU 443 H GLU 443 0.330 -1.307 4.859 66 HA GLU 443 HA GLU 443 3.277 -1.320 4.952 67 HB2 GLU 443 HB2 GLU 443 1.474 -3.216 6.473 68 HB3 GLU 443 HB3 GLU 443 3.220 -3.359 6.359 69 HG2 GLU 443 HG2 GLU 443 3.509 -1.300 7.583 70 HG3 GLU 443 HG3 GLU 443 1.767 -1.026 7.598 71 H ILE 444 H ILE 444 4.265 -2.888 3.650 72 HA ILE 444 HA ILE 444 2.440 -4.517 1.979 73 HB ILE 444 HB ILE 444 5.043 -3.232 1.107 74 HG12 ILE 444 HG12 ILE 444 2.170 -2.587 0.356 75 HG13 ILE 444 HG13 ILE 444 3.233 -1.590 1.345 76 HG21 ILE 444 HG21 ILE 444 4.454 -4.055 -1.144 77 HG22 ILE 444 HG22 ILE 444 3.066 -4.904 -0.462 78 HG23 ILE 444 HG23 ILE 444 4.702 -5.372 0.002 79 HD11 ILE 444 HD11 ILE 444 3.066 -0.719 -0.903 80 HD12 ILE 444 HD12 ILE 444 3.634 -2.253 -1.563 81 HD13 ILE 444 HD13 ILE 444 4.709 -1.267 -0.571 82 H LYS 445 H LYS 445 2.878 -6.641 1.758 83 HA LYS 445 HA LYS 445 5.513 -7.685 2.564 84 HB2 LYS 445 HB2 LYS 445 3.812 -7.866 4.440 85 HB3 LYS 445 HB3 LYS 445 2.886 -8.940 3.402 86 HG2 LYS 445 HG2 LYS 445 4.161 -10.259 4.942 87 HG3 LYS 445 HG3 LYS 445 4.834 -10.474 3.323 88 HD2 LYS 445 HD2 LYS 445 6.631 -8.919 3.828 89 HD3 LYS 445 HD3 LYS 445 5.934 -8.587 5.416 90 HE2 LYS 445 HE2 LYS 445 7.047 -11.220 4.448 91 HE3 LYS 445 HE3 LYS 445 7.790 -10.132 5.620 92 HZ1 LYS 445 HZ1 LYS 445 6.712 -11.915 6.767 93 HZ2 LYS 445 HZ2 LYS 445 5.251 -11.638 5.963 94 HZ3 LYS 445 HZ3 LYS 445 5.843 -10.499 7.066 95 H GLY 446 H GLY 446 6.156 -9.587 1.448 96 HA2 GLY 446 HA2 GLY 446 4.690 -11.415 0.070 97 HA3 GLY 446 HA3 GLY 446 4.790 -10.076 -1.060 98 HA PRO 447 HA PRO 447 8.491 -12.871 -1.722 99 HB2 PRO 447 HB2 PRO 447 8.278 -12.961 -4.438 100 HB3 PRO 447 HB3 PRO 447 7.430 -14.076 -3.361 101 HG2 PRO 447 HG2 PRO 447 6.412 -11.595 -4.702 102 HG3 PRO 447 HG3 PRO 447 5.629 -13.179 -4.542 103 HD2 PRO 447 HD2 PRO 447 5.000 -11.095 -2.941 104 HD3 PRO 447 HD3 PRO 447 4.968 -12.772 -2.359 105 H ASP 448 H ASP 448 10.481 -12.048 -1.922 106 HA ASP 448 HA ASP 448 10.836 -9.268 -2.570 107 HB2 ASP 448 HB2 ASP 448 12.959 -11.331 -1.945 108 HB3 ASP 448 HB3 ASP 448 13.096 -9.580 -1.791 109 H VAL 449 H VAL 449 11.903 -12.336 -4.031 110 HA VAL 449 HA VAL 449 12.629 -10.843 -6.480 111 HB VAL 449 HB VAL 449 13.970 -13.379 -5.498 112 HG11 VAL 449 HG11 VAL 449 13.938 -13.170 -7.937 113 HG12 VAL 449 HG12 VAL 449 15.573 -12.980 -7.305 114 HG13 VAL 449 HG13 VAL 449 14.656 -11.563 -7.816 115 HG21 VAL 449 HG21 VAL 449 14.569 -11.495 -4.059 116 HG22 VAL 449 HG22 VAL 449 15.010 -10.539 -5.476 117 HG23 VAL 449 HG23 VAL 449 15.940 -11.978 -5.057 118 H VAL 450 H VAL 450 11.643 -11.481 -8.314 119 HA VAL 450 HA VAL 450 10.313 -14.118 -8.388 120 HB VAL 450 HB VAL 450 8.391 -13.123 -9.584 121 HG11 VAL 450 HG11 VAL 450 8.238 -13.515 -7.178 122 HG12 VAL 450 HG12 VAL 450 7.322 -12.081 -7.639 123 HG13 VAL 450 HG13 VAL 450 8.896 -11.909 -6.862 124 HG21 VAL 450 HG21 VAL 450 9.646 -10.467 -8.856 125 HG22 VAL 450 HG22 VAL 450 8.050 -10.695 -9.575 126 HG23 VAL 450 HG23 VAL 450 9.497 -11.132 -10.483 127 H GLY 451 H GLY 451 9.726 -14.817 -10.609 128 HA2 GLY 451 HA2 GLY 451 11.898 -14.162 -12.472 129 HA3 GLY 451 HA3 GLY 451 10.851 -15.568 -12.552 130 H VAL 452 H VAL 452 11.442 -14.010 -14.792 131 HA VAL 452 HA VAL 452 9.445 -12.079 -15.354 132 HB VAL 452 HB VAL 452 11.596 -12.233 -16.573 133 HG11 VAL 452 HG11 VAL 452 11.763 -14.644 -16.819 134 HG12 VAL 452 HG12 VAL 452 11.867 -13.855 -18.392 135 HG13 VAL 452 HG13 VAL 452 10.370 -14.649 -17.902 136 HG21 VAL 452 HG21 VAL 452 9.791 -10.930 -17.534 137 HG22 VAL 452 HG22 VAL 452 9.129 -12.369 -18.312 138 HG23 VAL 452 HG23 VAL 452 10.695 -11.736 -18.815 139 H ASN 453 H ASN 453 7.470 -12.223 -16.270 140 HA ASN 453 HA ASN 453 5.454 -13.055 -16.880 141 HB2 ASN 453 HB2 ASN 453 7.055 -15.425 -17.869 142 HB3 ASN 453 HB3 ASN 453 5.358 -15.127 -18.238 143 HD21 ASN 453 HD21 ASN 453 8.609 -14.311 -18.965 144 HD22 ASN 453 HD22 ASN 453 8.268 -13.253 -20.287 145 H LYS 454 H LYS 454 6.904 -13.953 -14.256 146 HA LYS 454 HA LYS 454 5.214 -16.262 -13.594 147 HB2 LYS 454 HB2 LYS 454 7.524 -14.952 -12.152 148 HB3 LYS 454 HB3 LYS 454 6.532 -16.201 -11.412 149 HG2 LYS 454 HG2 LYS 454 8.156 -16.518 -13.938 150 HG3 LYS 454 HG3 LYS 454 8.609 -17.109 -12.339 151 HD2 LYS 454 HD2 LYS 454 6.169 -17.962 -13.913 152 HD3 LYS 454 HD3 LYS 454 7.652 -18.900 -13.723 153 HE2 LYS 454 HE2 LYS 454 7.276 -19.062 -11.327 154 HE3 LYS 454 HE3 LYS 454 5.847 -18.035 -11.454 155 HZ1 LYS 454 HZ1 LYS 454 5.211 -20.339 -11.331 156 HZ2 LYS 454 HZ2 LYS 454 6.178 -20.728 -12.663 157 HZ3 LYS 454 HZ3 LYS 454 4.825 -19.733 -12.858 158 H LEU 455 H LEU 455 3.882 -16.284 -11.702 159 HA LEU 455 HA LEU 455 2.561 -13.725 -11.255 160 HB2 LEU 455 HB2 LEU 455 1.262 -15.764 -11.797 161 HB3 LEU 455 HB3 LEU 455 1.819 -16.498 -10.305 162 HG LEU 455 HG LEU 455 0.668 -14.695 -9.028 163 HD11 LEU 455 HD11 LEU 455 -0.958 -13.277 -10.185 164 HD12 LEU 455 HD12 LEU 455 -0.410 -13.911 -11.737 165 HD13 LEU 455 HD13 LEU 455 0.687 -12.963 -10.733 166 HD21 LEU 455 HD21 LEU 455 -1.105 -16.266 -10.908 167 HD22 LEU 455 HD22 LEU 455 -1.599 -15.547 -9.374 168 HD23 LEU 455 HD23 LEU 455 -0.420 -16.856 -9.394 169 H ALA 456 H ALA 456 2.505 -12.622 -9.340 170 HA ALA 456 HA ALA 456 3.682 -13.884 -6.947 171 HB1 ALA 456 HB1 ALA 456 5.412 -12.504 -7.970 172 HB2 ALA 456 HB2 ALA 456 4.891 -11.814 -6.432 173 HB3 ALA 456 HB3 ALA 456 4.331 -11.111 -7.950 174 H GLU 457 H GLU 457 2.542 -13.563 -5.108 175 HA GLU 457 HA GLU 457 0.334 -11.600 -5.158 176 HB2 GLU 457 HB2 GLU 457 0.647 -14.272 -3.821 177 HB3 GLU 457 HB3 GLU 457 -0.484 -13.091 -3.171 178 HG2 GLU 457 HG2 GLU 457 -1.738 -13.058 -5.198 179 HG3 GLU 457 HG3 GLU 457 -0.532 -14.047 -6.031 180 H TYR 458 H TYR 458 0.206 -10.026 -3.665 181 HA TYR 458 HA TYR 458 2.137 -10.026 -1.424 182 HB2 TYR 458 HB2 TYR 458 1.314 -7.676 -3.156 183 HB3 TYR 458 HB3 TYR 458 2.290 -7.549 -1.696 184 HD1 TYR 458 HD1 TYR 458 2.246 -8.991 -5.130 185 HD2 TYR 458 HD2 TYR 458 4.631 -7.884 -1.779 186 HE1 TYR 458 HE1 TYR 458 4.282 -9.358 -6.459 187 HE2 TYR 458 HE2 TYR 458 6.669 -8.251 -3.102 188 HH TYR 458 HH TYR 458 7.425 -9.422 -5.029 189 H GLU 459 H GLU 459 1.465 -8.881 0.493 190 HA GLU 459 HA GLU 459 -1.455 -8.441 0.674 191 HB2 GLU 459 HB2 GLU 459 0.323 -9.274 2.979 192 HB3 GLU 459 HB3 GLU 459 -1.428 -9.187 2.959 193 HG2 GLU 459 HG2 GLU 459 -1.105 -11.441 2.791 194 HG3 GLU 459 HG3 GLU 459 -1.215 -11.003 1.088 195 H VAL 460 H VAL 460 -2.076 -6.472 1.248 196 HA VAL 460 HA VAL 460 -0.091 -4.577 2.313 197 HB VAL 460 HB VAL 460 -2.765 -3.948 1.031 198 HG11 VAL 460 HG11 VAL 460 -1.968 -2.202 2.544 199 HG12 VAL 460 HG12 VAL 460 -1.894 -1.661 0.867 200 HG13 VAL 460 HG13 VAL 460 -0.420 -2.158 1.699 201 HG21 VAL 460 HG21 VAL 460 -0.004 -3.878 -0.198 202 HG22 VAL 460 HG22 VAL 460 -1.483 -3.287 -0.957 203 HG23 VAL 460 HG23 VAL 460 -1.301 -5.004 -0.603 204 H HIS 461 H HIS 461 -0.204 -4.285 4.458 205 HA HIS 461 HA HIS 461 -2.746 -4.623 5.875 206 HB2 HIS 461 HB2 HIS 461 0.084 -4.220 6.868 207 HB3 HIS 461 HB3 HIS 461 -1.310 -4.285 7.934 208 HD1 HIS 461 HD1 HIS 461 -1.681 -6.516 8.915 209 HD2 HIS 461 HD2 HIS 461 0.215 -6.763 5.222 210 HE1 HIS 461 HE1 HIS 461 -1.227 -8.957 8.550 211 HE2 HIS 461 HE2 HIS 461 0.083 -9.062 6.405 212 H VAL 462 H VAL 462 -4.022 -2.848 5.704 213 HA VAL 462 HA VAL 462 -2.813 -0.199 6.177 214 HB VAL 462 HB VAL 462 -4.835 0.778 5.186 215 HG11 VAL 462 HG11 VAL 462 -2.936 0.253 3.737 216 HG12 VAL 462 HG12 VAL 462 -4.459 0.081 2.868 217 HG13 VAL 462 HG13 VAL 462 -3.600 -1.352 3.433 218 HG21 VAL 462 HG21 VAL 462 -6.492 -0.909 5.792 219 HG22 VAL 462 HG22 VAL 462 -5.724 -2.078 4.716 220 HG23 VAL 462 HG23 VAL 462 -6.504 -0.645 4.049 221 H LYS 463 H LYS 463 -3.172 0.774 8.079 222 HA LYS 463 HA LYS 463 -5.441 -0.094 9.729 223 HB2 LYS 463 HB2 LYS 463 -3.827 -0.227 11.702 224 HB3 LYS 463 HB3 LYS 463 -3.794 -1.549 10.543 225 HG2 LYS 463 HG2 LYS 463 -1.735 -0.948 9.696 226 HG3 LYS 463 HG3 LYS 463 -1.902 0.731 10.199 227 HD2 LYS 463 HD2 LYS 463 -0.253 -0.327 11.599 228 HD3 LYS 463 HD3 LYS 463 -1.695 -0.003 12.563 229 HE2 LYS 463 HE2 LYS 463 -0.844 -2.198 13.091 230 HE3 LYS 463 HE3 LYS 463 -2.388 -2.354 12.257 231 HZ1 LYS 463 HZ1 LYS 463 0.246 -2.600 10.914 232 HZ2 LYS 463 HZ2 LYS 463 -1.273 -2.947 10.257 233 HZ3 LYS 463 HZ3 LYS 463 -0.645 -3.915 11.489 234 H ASN 464 H ASN 464 -6.054 1.278 11.400 235 HA ASN 464 HA ASN 464 -5.081 4.060 11.205 236 HB2 ASN 464 HB2 ASN 464 -7.512 3.578 10.769 237 HB3 ASN 464 HB3 ASN 464 -7.656 3.007 12.425 238 HD21 ASN 464 HD21 ASN 464 -9.076 5.145 11.158 239 HD22 ASN 464 HD22 ASN 464 -8.730 6.575 12.057 240 H LEU 465 H LEU 465 -3.983 4.910 12.918 241 HA LEU 465 HA LEU 465 -3.947 3.381 15.448 242 HB2 LEU 465 HB2 LEU 465 -1.799 5.152 14.263 243 HB3 LEU 465 HB3 LEU 465 -1.684 4.303 15.795 244 HG LEU 465 HG LEU 465 -1.911 2.994 13.076 245 HD11 LEU 465 HD11 LEU 465 0.261 4.037 13.389 246 HD12 LEU 465 HD12 LEU 465 0.403 2.281 13.455 247 HD13 LEU 465 HD13 LEU 465 0.447 3.226 14.944 248 HD21 LEU 465 HD21 LEU 465 -1.465 0.902 14.280 249 HD22 LEU 465 HD22 LEU 465 -2.972 1.649 14.806 250 HD23 LEU 465 HD23 LEU 465 -1.529 1.772 15.814 251 H GLY 466 H GLY 466 -5.192 6.152 14.175 252 HA2 GLY 466 HA2 GLY 466 -4.557 8.007 16.302 253 HA3 GLY 466 HA3 GLY 466 -5.668 8.283 14.974 254 H GLY 467 H GLY 467 -6.938 5.570 15.900 255 HA2 GLY 467 HA2 GLY 467 -8.554 4.867 17.407 256 HA3 GLY 467 HA3 GLY 467 -8.136 6.225 18.437 257 H ILE 468 H ILE 468 -8.959 6.896 15.151 258 HA ILE 468 HA ILE 468 -11.751 7.506 15.828 259 HB ILE 468 HB ILE 468 -10.819 9.628 16.152 260 HG12 ILE 468 HG12 ILE 468 -11.650 9.616 13.231 261 HG13 ILE 468 HG13 ILE 468 -12.760 9.672 14.600 262 HG21 ILE 468 HG21 ILE 468 -9.153 9.230 13.667 263 HG22 ILE 468 HG22 ILE 468 -8.580 9.161 15.335 264 HG23 ILE 468 HG23 ILE 468 -9.177 10.681 14.671 265 HD11 ILE 468 HD11 ILE 468 -10.714 11.766 13.896 266 HD12 ILE 468 HD12 ILE 468 -11.839 11.833 15.253 267 HD13 ILE 468 HD13 ILE 468 -12.449 11.862 13.599 268 H GLY 469 H GLY 469 -13.192 7.058 14.237 269 HA2 GLY 469 HA2 GLY 469 -12.320 5.458 12.044 270 HA3 GLY 469 HA3 GLY 469 -13.972 5.941 12.384 271 H VAL 470 H VAL 470 -12.047 5.883 9.936 272 HA VAL 470 HA VAL 470 -12.857 8.520 8.889 273 HB VAL 470 HB VAL 470 -10.221 7.153 8.300 274 HG11 VAL 470 HG11 VAL 470 -11.269 9.849 7.418 275 HG12 VAL 470 HG12 VAL 470 -11.049 8.428 6.394 276 HG13 VAL 470 HG13 VAL 470 -9.647 9.223 7.112 277 HG21 VAL 470 HG21 VAL 470 -10.235 8.047 10.567 278 HG22 VAL 470 HG22 VAL 470 -10.786 9.612 9.967 279 HG23 VAL 470 HG23 VAL 470 -9.184 9.015 9.534 280 HA PRO 471 HA PRO 471 -14.353 5.747 5.580 281 HB2 PRO 471 HB2 PRO 471 -16.276 7.374 4.648 282 HB3 PRO 471 HB3 PRO 471 -16.477 6.476 6.157 283 HG2 PRO 471 HG2 PRO 471 -15.772 9.352 5.743 284 HG3 PRO 471 HG3 PRO 471 -16.845 8.627 6.951 285 HD2 PRO 471 HD2 PRO 471 -14.218 9.390 7.416 286 HD3 PRO 471 HD3 PRO 471 -15.118 8.215 8.394 287 H SER 472 H SER 472 -12.807 8.760 5.507 288 HA SER 472 HA SER 472 -12.845 9.200 2.648 289 HB2 SER 472 HB2 SER 472 -12.790 11.069 4.310 290 HB3 SER 472 HB3 SER 472 -11.158 10.576 4.753 291 HG SER 472 HG SER 472 -10.521 11.766 3.155 292 H THR 473 H THR 473 -11.476 6.731 3.966 293 HA THR 473 HA THR 473 -8.637 7.269 3.565 294 HB THR 473 HB THR 473 -10.035 4.790 4.617 295 HG1 THR 473 HG1 THR 473 -8.504 6.178 6.380 296 HG21 THR 473 HG21 THR 473 -7.823 4.262 3.671 297 HG22 THR 473 HG22 THR 473 -7.826 4.107 5.430 298 HG23 THR 473 HG23 THR 473 -7.099 5.521 4.671 299 H LYS 474 H LYS 474 -8.296 7.317 1.379 300 HA LYS 474 HA LYS 474 -8.844 4.890 -0.195 301 HB2 LYS 474 HB2 LYS 474 -7.746 7.556 -1.138 302 HB3 LYS 474 HB3 LYS 474 -8.289 6.227 -2.153 303 HG2 LYS 474 HG2 LYS 474 -10.582 6.539 -1.311 304 HG3 LYS 474 HG3 LYS 474 -10.025 7.897 -0.329 305 HD2 LYS 474 HD2 LYS 474 -9.284 9.033 -2.422 306 HD3 LYS 474 HD3 LYS 474 -9.986 7.708 -3.351 307 HE2 LYS 474 HE2 LYS 474 -12.197 8.230 -2.366 308 HE3 LYS 474 HE3 LYS 474 -11.475 9.592 -1.512 309 HZ1 LYS 474 HZ1 LYS 474 -11.640 9.265 -4.461 310 HZ2 LYS 474 HZ2 LYS 474 -10.889 10.562 -3.671 311 HZ3 LYS 474 HZ3 LYS 474 -12.560 10.325 -3.527 312 H VAL 475 H VAL 475 -7.249 3.497 -0.720 313 HA VAL 475 HA VAL 475 -4.436 4.233 -0.131 314 HB VAL 475 HB VAL 475 -5.684 1.468 -0.068 315 HG11 VAL 475 HG11 VAL 475 -2.905 2.390 0.700 316 HG12 VAL 475 HG12 VAL 475 -3.328 1.408 -0.703 317 HG13 VAL 475 HG13 VAL 475 -3.547 0.760 0.921 318 HG21 VAL 475 HG21 VAL 475 -4.839 3.269 2.210 319 HG22 VAL 475 HG22 VAL 475 -5.363 1.593 2.373 320 HG23 VAL 475 HG23 VAL 475 -6.492 2.816 1.790 321 H ARG 476 H ARG 476 -2.947 4.014 -1.739 322 HA ARG 476 HA ARG 476 -3.783 2.685 -4.242 323 HB2 ARG 476 HB2 ARG 476 -2.291 5.308 -3.972 324 HB3 ARG 476 HB3 ARG 476 -2.571 4.463 -5.492 325 HG2 ARG 476 HG2 ARG 476 -4.991 4.701 -5.178 326 HG3 ARG 476 HG3 ARG 476 -4.705 5.554 -3.662 327 HD2 ARG 476 HD2 ARG 476 -3.567 7.345 -4.860 328 HD3 ARG 476 HD3 ARG 476 -3.765 6.473 -6.383 329 HE ARG 476 HE ARG 476 -6.293 6.691 -5.618 330 HH11 ARG 476 HH11 ARG 476 -3.799 9.072 -5.661 331 HH12 ARG 476 HH12 ARG 476 -4.915 10.377 -5.844 332 HH21 ARG 476 HH21 ARG 476 -7.694 8.364 -5.847 333 HH22 ARG 476 HH22 ARG 476 -7.099 9.986 -5.937 334 H VAL 477 H VAL 477 -2.150 1.682 -5.475 335 HA VAL 477 HA VAL 477 0.424 1.286 -4.068 336 HB VAL 477 HB VAL 477 -1.122 -0.726 -5.734 337 HG11 VAL 477 HG11 VAL 477 1.266 -1.021 -6.072 338 HG12 VAL 477 HG12 VAL 477 0.643 -2.326 -5.063 339 HG13 VAL 477 HG13 VAL 477 1.545 -0.999 -4.330 340 HG21 VAL 477 HG21 VAL 477 -1.333 -1.981 -3.636 341 HG22 VAL 477 HG22 VAL 477 -2.090 -0.393 -3.515 342 HG23 VAL 477 HG23 VAL 477 -0.516 -0.677 -2.770 343 H TYR 478 H TYR 478 2.135 1.993 -5.161 344 HA TYR 478 HA TYR 478 1.965 2.318 -8.093 345 HB2 TYR 478 HB2 TYR 478 3.660 3.835 -6.088 346 HB3 TYR 478 HB3 TYR 478 3.667 4.096 -7.829 347 HD1 TYR 478 HD1 TYR 478 1.786 4.595 -4.716 348 HD2 TYR 478 HD2 TYR 478 1.824 5.246 -8.925 349 HE1 TYR 478 HE1 TYR 478 -0.027 6.238 -4.479 350 HE2 TYR 478 HE2 TYR 478 0.015 6.883 -8.690 351 HH TYR 478 HH TYR 478 -0.941 8.169 -5.704 352 H ILE 479 H ILE 479 3.493 1.406 -9.373 353 HA ILE 479 HA ILE 479 5.838 0.142 -8.095 354 HB ILE 479 HB ILE 479 4.573 -0.577 -10.757 355 HG12 ILE 479 HG12 ILE 479 4.458 -2.036 -8.095 356 HG13 ILE 479 HG13 ILE 479 3.119 -1.182 -8.854 357 HG21 ILE 479 HG21 ILE 479 6.985 -1.003 -10.661 358 HG22 ILE 479 HG22 ILE 479 6.069 -2.510 -10.710 359 HG23 ILE 479 HG23 ILE 479 6.762 -1.949 -9.187 360 HD11 ILE 479 HD11 ILE 479 2.937 -3.584 -9.151 361 HD12 ILE 479 HD12 ILE 479 4.504 -3.616 -9.960 362 HD13 ILE 479 HD13 ILE 479 3.144 -2.767 -10.701 363 H ASN 480 H ASN 480 7.533 1.464 -8.299 364 HA ASN 480 HA ASN 480 8.990 3.030 -9.066 365 HB2 ASN 480 HB2 ASN 480 8.337 1.671 -11.689 366 HB3 ASN 480 HB3 ASN 480 9.623 2.859 -11.501 367 HD21 ASN 480 HD21 ASN 480 10.039 0.256 -12.376 368 HD22 ASN 480 HD22 ASN 480 11.029 -0.544 -11.211 369 H GLY 481 H GLY 481 6.266 3.921 -8.788 370 HA2 GLY 481 HA2 GLY 481 5.632 6.224 -9.021 371 HA3 GLY 481 HA3 GLY 481 6.408 6.254 -10.590 372 H THR 482 H THR 482 5.109 3.684 -11.380 373 HA THR 482 HA THR 482 2.692 4.874 -12.448 374 HB THR 482 HB THR 482 3.831 2.095 -12.860 375 HG1 THR 482 HG1 THR 482 4.570 3.010 -14.843 376 HG21 THR 482 HG21 THR 482 2.368 2.009 -14.832 377 HG22 THR 482 HG22 THR 482 1.690 3.581 -14.405 378 HG23 THR 482 HG23 THR 482 1.425 2.190 -13.354 379 H LEU 483 H LEU 483 0.686 4.664 -11.623 380 HA LEU 483 HA LEU 483 0.133 3.170 -9.287 381 HB2 LEU 483 HB2 LEU 483 -1.108 5.190 -9.905 382 HB3 LEU 483 HB3 LEU 483 -1.774 4.368 -11.303 383 HG LEU 483 HG LEU 483 -2.971 2.806 -9.803 384 HD11 LEU 483 HD11 LEU 483 -1.452 2.867 -7.899 385 HD12 LEU 483 HD12 LEU 483 -3.094 3.275 -7.404 386 HD13 LEU 483 HD13 LEU 483 -1.887 4.549 -7.587 387 HD21 LEU 483 HD21 LEU 483 -4.116 4.795 -10.609 388 HD22 LEU 483 HD22 LEU 483 -3.485 5.733 -9.255 389 HD23 LEU 483 HD23 LEU 483 -4.625 4.420 -8.964 390 H TYR 484 H TYR 484 -0.018 1.026 -9.150 391 HA TYR 484 HA TYR 484 -0.679 -0.624 -11.430 392 HB2 TYR 484 HB2 TYR 484 1.024 -1.479 -9.997 393 HB3 TYR 484 HB3 TYR 484 0.045 -1.228 -8.556 394 HD1 TYR 484 HD1 TYR 484 0.369 -3.308 -11.621 395 HD2 TYR 484 HD2 TYR 484 -1.447 -2.900 -7.789 396 HE1 TYR 484 HE1 TYR 484 -0.465 -5.616 -11.773 397 HE2 TYR 484 HE2 TYR 484 -2.285 -5.204 -7.940 398 HH TYR 484 HH TYR 484 -1.225 -7.407 -10.322 399 H LYS 485 H LYS 485 -2.190 0.173 -8.302 400 HA LYS 485 HA LYS 485 -4.830 -0.106 -9.305 401 HB2 LYS 485 HB2 LYS 485 -4.272 -2.504 -9.192 402 HB3 LYS 485 HB3 LYS 485 -3.861 -2.337 -7.494 403 HG2 LYS 485 HG2 LYS 485 -6.074 -2.110 -6.839 404 HG3 LYS 485 HG3 LYS 485 -6.605 -1.610 -8.445 405 HD2 LYS 485 HD2 LYS 485 -7.354 -3.891 -7.875 406 HD3 LYS 485 HD3 LYS 485 -6.303 -3.865 -9.289 407 HE2 LYS 485 HE2 LYS 485 -4.415 -4.581 -7.888 408 HE3 LYS 485 HE3 LYS 485 -5.476 -4.609 -6.481 409 HZ1 LYS 485 HZ1 LYS 485 -5.136 -6.814 -7.499 410 HZ2 LYS 485 HZ2 LYS 485 -5.873 -6.263 -8.913 411 HZ3 LYS 485 HZ3 LYS 485 -6.761 -6.353 -7.480 412 H ASN 486 H ASN 486 -6.484 0.325 -7.630 413 HA ASN 486 HA ASN 486 -5.399 1.445 -5.130 414 HB2 ASN 486 HB2 ASN 486 -6.546 3.533 -5.416 415 HB3 ASN 486 HB3 ASN 486 -5.612 3.245 -6.879 416 HD21 ASN 486 HD21 ASN 486 -6.756 2.515 -8.768 417 HD22 ASN 486 HD22 ASN 486 -8.432 2.881 -8.955 418 H TRP 487 H TRP 487 -6.971 1.764 -3.447 419 HA TRP 487 HA TRP 487 -9.606 0.509 -3.812 420 HB2 TRP 487 HB2 TRP 487 -7.703 -0.067 -1.521 421 HB3 TRP 487 HB3 TRP 487 -9.373 -0.611 -1.604 422 HD1 TRP 487 HD1 TRP 487 -9.925 -2.475 -3.557 423 HE1 TRP 487 HE1 TRP 487 -8.423 -4.340 -4.493 424 HE3 TRP 487 HE3 TRP 487 -5.375 -0.670 -2.094 425 HZ2 TRP 487 HZ2 TRP 487 -5.677 -4.971 -4.601 426 HZ3 TRP 487 HZ3 TRP 487 -3.357 -1.965 -2.651 427 HH2 TRP 487 HH2 TRP 487 -3.506 -4.071 -3.879 428 H THR 488 H THR 488 -11.236 1.340 -2.472 429 HA THR 488 HA THR 488 -10.474 3.591 -0.704 430 HB THR 488 HB THR 488 -13.038 3.330 -2.314 431 HG1 THR 488 HG1 THR 488 -12.134 4.682 -3.702 432 HG21 THR 488 HG21 THR 488 -13.429 4.422 -0.152 433 HG22 THR 488 HG22 THR 488 -13.559 5.582 -1.475 434 HG23 THR 488 HG23 THR 488 -12.107 5.547 -0.473 435 H VAL 489 H VAL 489 -10.897 3.194 1.393 436 HA VAL 489 HA VAL 489 -13.125 1.421 2.130 437 HB VAL 489 HB VAL 489 -11.710 0.176 3.733 438 HG11 VAL 489 HG11 VAL 489 -10.573 -1.261 2.111 439 HG12 VAL 489 HG12 VAL 489 -10.748 -0.014 0.876 440 HG13 VAL 489 HG13 VAL 489 -12.179 -0.797 1.545 441 HG21 VAL 489 HG21 VAL 489 -9.939 1.827 4.054 442 HG22 VAL 489 HG22 VAL 489 -9.397 1.591 2.391 443 HG23 VAL 489 HG23 VAL 489 -9.261 0.276 3.559 444 H SER 490 H SER 490 -13.373 1.340 4.583 445 HA SER 490 HA SER 490 -12.739 3.971 5.784 446 HB2 SER 490 HB2 SER 490 -14.738 3.648 7.217 447 HB3 SER 490 HB3 SER 490 -15.157 3.651 5.505 448 HG SER 490 HG SER 490 -14.586 1.157 6.556 449 H LEU 491 H LEU 491 -11.604 4.002 7.680 450 HA LEU 491 HA LEU 491 -11.051 1.393 8.967 451 HB2 LEU 491 HB2 LEU 491 -9.269 3.820 8.704 452 HB3 LEU 491 HB3 LEU 491 -8.896 2.445 9.729 453 HG LEU 491 HG LEU 491 -9.145 2.410 6.712 454 HD11 LEU 491 HD11 LEU 491 -7.093 3.448 7.470 455 HD12 LEU 491 HD12 LEU 491 -6.749 1.861 6.787 456 HD13 LEU 491 HD13 LEU 491 -6.765 2.084 8.537 457 HD21 LEU 491 HD21 LEU 491 -9.971 0.319 7.675 458 HD22 LEU 491 HD22 LEU 491 -8.485 0.155 8.617 459 HD23 LEU 491 HD23 LEU 491 -8.430 0.074 6.854 460 H GLY 492 H GLY 492 -11.853 1.175 10.941 461 HA2 GLY 492 HA2 GLY 492 -12.949 3.443 12.355 462 HA3 GLY 492 HA3 GLY 492 -13.035 1.760 12.844 463 HA PRO 493 HA PRO 493 -10.090 4.153 15.642 464 HB2 PRO 493 HB2 PRO 493 -11.170 3.137 17.960 465 HB3 PRO 493 HB3 PRO 493 -11.675 4.654 17.211 466 HG2 PRO 493 HG2 PRO 493 -12.941 1.942 17.035 467 HG3 PRO 493 HG3 PRO 493 -13.712 3.530 17.232 468 HD2 PRO 493 HD2 PRO 493 -13.639 2.275 14.854 469 HD3 PRO 493 HD3 PRO 493 -13.517 4.042 14.980 470 H LYS 494 H LYS 494 -8.327 2.935 15.062 471 HA LYS 494 HA LYS 494 -6.668 1.416 15.243 472 HB2 LYS 494 HB2 LYS 494 -8.210 0.489 17.675 473 HB3 LYS 494 HB3 LYS 494 -6.592 -0.060 17.247 474 HG2 LYS 494 HG2 LYS 494 -5.724 2.191 17.478 475 HG3 LYS 494 HG3 LYS 494 -7.344 2.808 17.808 476 HD2 LYS 494 HD2 LYS 494 -7.445 1.476 19.853 477 HD3 LYS 494 HD3 LYS 494 -5.843 0.813 19.516 478 HE2 LYS 494 HE2 LYS 494 -4.878 3.056 19.674 479 HE3 LYS 494 HE3 LYS 494 -6.478 3.730 19.985 480 HZ1 LYS 494 HZ1 LYS 494 -5.143 1.726 21.716 481 HZ2 LYS 494 HZ2 LYS 494 -6.597 2.529 22.032 482 HZ3 LYS 494 HZ3 LYS 494 -5.142 3.390 22.007 483 H GLU 495 H GLU 495 -8.402 0.894 13.322 484 HA GLU 495 HA GLU 495 -8.877 -2.025 13.363 485 HB2 GLU 495 HB2 GLU 495 -10.917 -0.866 12.887 486 HB3 GLU 495 HB3 GLU 495 -10.120 0.215 11.754 487 HG2 GLU 495 HG2 GLU 495 -11.417 -1.291 10.476 488 HG3 GLU 495 HG3 GLU 495 -9.736 -1.757 10.258 489 H GLU 496 H GLU 496 -8.095 -3.315 11.674 490 HA GLU 496 HA GLU 496 -6.416 -2.025 9.620 491 HB2 GLU 496 HB2 GLU 496 -4.892 -3.052 11.216 492 HB3 GLU 496 HB3 GLU 496 -5.763 -4.581 11.114 493 HG2 GLU 496 HG2 GLU 496 -5.179 -4.643 8.665 494 HG3 GLU 496 HG3 GLU 496 -4.144 -3.246 8.946 495 H LYS 497 H LYS 497 -6.753 -2.692 7.573 496 HA LYS 497 HA LYS 497 -8.307 -5.175 7.115 497 HB2 LYS 497 HB2 LYS 497 -8.151 -2.834 5.198 498 HB3 LYS 497 HB3 LYS 497 -9.265 -4.193 5.150 499 HG2 LYS 497 HG2 LYS 497 -9.240 -1.991 7.211 500 HG3 LYS 497 HG3 LYS 497 -10.370 -2.138 5.871 501 HD2 LYS 497 HD2 LYS 497 -10.081 -4.144 8.116 502 HD3 LYS 497 HD3 LYS 497 -11.309 -2.883 8.043 503 HE2 LYS 497 HE2 LYS 497 -12.073 -3.886 5.867 504 HE3 LYS 497 HE3 LYS 497 -10.973 -5.231 6.178 505 HZ1 LYS 497 HZ1 LYS 497 -13.282 -4.398 7.848 506 HZ2 LYS 497 HZ2 LYS 497 -12.175 -5.599 8.289 507 HZ3 LYS 497 HZ3 LYS 497 -13.155 -5.812 6.930 508 H VAL 498 H VAL 498 -7.344 -6.711 5.791 509 HA VAL 498 HA VAL 498 -4.714 -6.010 4.665 510 HB VAL 498 HB VAL 498 -5.940 -8.742 5.131 511 HG11 VAL 498 HG11 VAL 498 -3.711 -9.630 4.579 512 HG12 VAL 498 HG12 VAL 498 -3.170 -8.002 4.163 513 HG13 VAL 498 HG13 VAL 498 -4.432 -8.783 3.210 514 HG21 VAL 498 HG21 VAL 498 -3.715 -7.299 6.584 515 HG22 VAL 498 HG22 VAL 498 -4.258 -8.946 6.906 516 HG23 VAL 498 HG23 VAL 498 -5.342 -7.586 7.204 517 H LEU 499 H LEU 499 -4.709 -5.399 2.622 518 HA LEU 499 HA LEU 499 -6.686 -6.507 0.728 519 HB2 LEU 499 HB2 LEU 499 -4.933 -4.050 0.470 520 HB3 LEU 499 HB3 LEU 499 -6.198 -4.541 -0.644 521 HG LEU 499 HG LEU 499 -6.668 -3.739 2.236 522 HD11 LEU 499 HD11 LEU 499 -7.602 -1.673 1.333 523 HD12 LEU 499 HD12 LEU 499 -7.142 -2.168 -0.297 524 HD13 LEU 499 HD13 LEU 499 -5.897 -1.841 0.909 525 HD21 LEU 499 HD21 LEU 499 -8.340 -5.304 1.374 526 HD22 LEU 499 HD22 LEU 499 -8.614 -4.256 -0.020 527 HD23 LEU 499 HD23 LEU 499 -9.029 -3.698 1.601 528 H THR 500 H THR 500 -5.988 -7.883 -0.850 529 HA THR 500 HA THR 500 -3.068 -8.123 -1.264 530 HB THR 500 HB THR 500 -3.617 -10.445 -2.140 531 HG1 THR 500 HG1 THR 500 -5.750 -10.545 -2.436 532 HG21 THR 500 HG21 THR 500 -2.620 -10.121 0.063 533 HG22 THR 500 HG22 THR 500 -3.766 -11.461 0.073 534 HG23 THR 500 HG23 THR 500 -4.224 -9.905 0.769 535 H PHE 501 H PHE 501 -2.277 -8.545 -3.343 536 HA PHE 501 HA PHE 501 -4.121 -8.410 -5.599 537 HB2 PHE 501 HB2 PHE 501 -2.813 -6.665 -6.752 538 HB3 PHE 501 HB3 PHE 501 -3.522 -6.066 -5.259 539 HD1 PHE 501 HD1 PHE 501 -2.114 -5.519 -3.340 540 HD2 PHE 501 HD2 PHE 501 -0.413 -6.873 -7.006 541 HE1 PHE 501 HE1 PHE 501 0.094 -4.711 -2.614 542 HE2 PHE 501 HE2 PHE 501 1.794 -6.066 -6.285 543 HZ PHE 501 HZ PHE 501 2.051 -4.982 -4.086 544 H SER 502 H SER 502 -3.314 -9.311 -7.505 545 HA SER 502 HA SER 502 -0.845 -10.901 -7.178 546 HB2 SER 502 HB2 SER 502 -1.880 -12.366 -8.966 547 HB3 SER 502 HB3 SER 502 -2.747 -12.342 -7.434 548 HG SER 502 HG SER 502 -3.464 -11.274 -9.915 549 H TRP 503 H TRP 503 0.821 -10.131 -8.258 550 HA TRP 503 HA TRP 503 0.384 -8.508 -10.681 551 HB2 TRP 503 HB2 TRP 503 1.341 -7.244 -8.837 552 HB3 TRP 503 HB3 TRP 503 2.608 -8.444 -8.623 553 HD1 TRP 503 HD1 TRP 503 1.465 -6.414 -11.756 554 HE1 TRP 503 HE1 TRP 503 3.561 -5.347 -12.798 555 HE3 TRP 503 HE3 TRP 503 4.965 -8.081 -8.420 556 HZ2 TRP 503 HZ2 TRP 503 6.332 -5.218 -12.275 557 HZ3 TRP 503 HZ3 TRP 503 7.319 -7.438 -8.758 558 HH2 TRP 503 HH2 TRP 503 7.985 -6.035 -10.648 559 H THR 504 H THR 504 1.401 -9.033 -12.560 560 HA THR 504 HA THR 504 3.318 -11.294 -12.517 561 HB THR 504 HB THR 504 1.333 -10.687 -14.732 562 HG1 THR 504 HG1 THR 504 0.647 -11.679 -12.546 563 HG21 THR 504 HG21 THR 504 3.386 -11.756 -15.544 564 HG22 THR 504 HG22 THR 504 2.026 -12.876 -15.626 565 HG23 THR 504 HG23 THR 504 3.215 -13.027 -14.333 566 HA PRO 505 HA PRO 505 5.678 -7.917 -14.508 567 HB2 PRO 505 HB2 PRO 505 8.125 -8.782 -13.770 568 HB3 PRO 505 HB3 PRO 505 7.065 -7.908 -12.659 569 HG2 PRO 505 HG2 PRO 505 7.570 -10.857 -12.867 570 HG3 PRO 505 HG3 PRO 505 7.444 -9.844 -11.416 571 HD2 PRO 505 HD2 PRO 505 5.396 -11.400 -12.359 572 HD3 PRO 505 HD3 PRO 505 5.142 -9.913 -11.422 573 H THR 506 H THR 506 5.520 -8.303 -16.690 574 HA THR 506 HA THR 506 6.540 -10.792 -17.832 575 HB THR 506 HB THR 506 5.583 -10.049 -19.947 576 HG1 THR 506 HG1 THR 506 4.855 -8.031 -20.262 577 HG21 THR 506 HG21 THR 506 3.709 -9.591 -17.618 578 HG22 THR 506 HG22 THR 506 4.067 -11.141 -18.380 579 HG23 THR 506 HG23 THR 506 3.209 -9.892 -19.282 580 H GLN 507 H GLN 507 7.832 -7.805 -17.097 581 HA GLN 507 HA GLN 507 9.986 -8.165 -19.089 582 HB2 GLN 507 HB2 GLN 507 8.686 -6.162 -19.629 583 HB3 GLN 507 HB3 GLN 507 8.900 -5.554 -17.994 584 HG2 GLN 507 HG2 GLN 507 10.392 -4.422 -19.543 585 HG3 GLN 507 HG3 GLN 507 11.312 -5.367 -18.371 586 HE21 GLN 507 HE21 GLN 507 10.316 -5.113 -21.692 587 HE22 GLN 507 HE22 GLN 507 11.456 -6.246 -22.325 588 H GLU 508 H GLU 508 12.061 -8.160 -18.322 589 HA GLU 508 HA GLU 508 12.419 -8.528 -15.502 590 HB2 GLU 508 HB2 GLU 508 14.805 -8.906 -16.066 591 HB3 GLU 508 HB3 GLU 508 13.702 -9.899 -17.002 592 HG2 GLU 508 HG2 GLU 508 15.284 -9.239 -18.561 593 HG3 GLU 508 HG3 GLU 508 13.960 -8.116 -18.839 594 H GLY 509 H GLY 509 13.743 -7.328 -14.071 595 HA2 GLY 509 HA2 GLY 509 15.355 -5.235 -14.322 596 HA3 GLY 509 HA3 GLY 509 13.812 -4.460 -14.645 597 H MET 510 H MET 510 15.027 -3.370 -12.632 598 HA MET 510 HA MET 510 14.242 -4.667 -10.134 599 HB2 MET 510 HB2 MET 510 16.472 -3.561 -10.359 600 HB3 MET 510 HB3 MET 510 15.649 -2.017 -10.547 601 HG2 MET 510 HG2 MET 510 16.470 -2.349 -8.266 602 HG3 MET 510 HG3 MET 510 14.712 -2.209 -8.318 603 HE1 MET 510 HE1 MET 510 15.227 -4.729 -5.373 604 HE2 MET 510 HE2 MET 510 14.473 -3.220 -5.886 605 HE3 MET 510 HE3 MET 510 16.229 -3.333 -5.769 606 H TYR 511 H TYR 511 12.236 -4.365 -9.381 607 HA TYR 511 HA TYR 511 10.827 -1.854 -10.044 608 HB2 TYR 511 HB2 TYR 511 9.723 -4.611 -9.473 609 HB3 TYR 511 HB3 TYR 511 8.725 -3.168 -9.646 610 HD1 TYR 511 HD1 TYR 511 11.086 -5.402 -11.459 611 HD2 TYR 511 HD2 TYR 511 8.127 -2.352 -11.804 612 HE1 TYR 511 HE1 TYR 511 11.015 -5.746 -13.891 613 HE2 TYR 511 HE2 TYR 511 8.055 -2.696 -14.235 614 HH TYR 511 HH TYR 511 9.552 -5.385 -15.755 615 H ARG 512 H ARG 512 9.773 -0.692 -8.434 616 HA ARG 512 HA ARG 512 10.079 -1.696 -5.672 617 HB2 ARG 512 HB2 ARG 512 11.622 0.163 -6.078 618 HB3 ARG 512 HB3 ARG 512 10.286 1.172 -6.621 619 HG2 ARG 512 HG2 ARG 512 9.327 1.207 -4.431 620 HG3 ARG 512 HG3 ARG 512 10.478 0.002 -3.850 621 HD2 ARG 512 HD2 ARG 512 11.206 2.764 -4.832 622 HD3 ARG 512 HD3 ARG 512 11.032 2.311 -3.136 623 HE ARG 512 HE ARG 512 12.976 0.902 -4.827 624 HH11 ARG 512 HH11 ARG 512 12.341 3.029 -2.192 625 HH12 ARG 512 HH12 ARG 512 13.937 2.870 -1.542 626 HH21 ARG 512 HH21 ARG 512 15.001 0.707 -4.005 627 HH22 ARG 512 HH22 ARG 512 15.440 1.556 -2.565 628 H ILE 513 H ILE 513 8.181 -2.170 -4.810 629 HA ILE 513 HA ILE 513 5.737 -0.865 -5.773 630 HB ILE 513 HB ILE 513 6.065 -3.277 -3.965 631 HG12 ILE 513 HG12 ILE 513 5.338 -3.099 -6.909 632 HG13 ILE 513 HG13 ILE 513 6.863 -3.694 -6.260 633 HG21 ILE 513 HG21 ILE 513 3.583 -2.139 -5.270 634 HG22 ILE 513 HG22 ILE 513 3.958 -2.120 -3.547 635 HG23 ILE 513 HG23 ILE 513 3.664 -3.653 -4.366 636 HD11 ILE 513 HD11 ILE 513 5.651 -5.532 -5.168 637 HD12 ILE 513 HD12 ILE 513 5.455 -5.532 -6.921 638 HD13 ILE 513 HD13 ILE 513 4.152 -4.945 -5.889 639 H ASN 514 H ASN 514 5.095 0.892 -4.704 640 HA ASN 514 HA ASN 514 5.434 1.006 -1.768 641 HB2 ASN 514 HB2 ASN 514 5.532 3.231 -3.810 642 HB3 ASN 514 HB3 ASN 514 5.379 3.526 -2.081 643 HD21 ASN 514 HD21 ASN 514 7.316 4.587 -1.948 644 HD22 ASN 514 HD22 ASN 514 8.838 3.786 -2.089 645 H ALA 515 H ALA 515 3.716 1.751 -0.520 646 HA ALA 515 HA ALA 515 1.140 2.081 -1.940 647 HB1 ALA 515 HB1 ALA 515 1.188 0.025 -0.620 648 HB2 ALA 515 HB2 ALA 515 0.016 1.172 0.033 649 HB3 ALA 515 HB3 ALA 515 1.577 0.951 0.829 650 H THR 516 H THR 516 -0.265 3.689 -1.288 651 HA THR 516 HA THR 516 0.706 5.645 0.701 652 HB THR 516 HB THR 516 -0.099 7.485 -0.789 653 HG1 THR 516 HG1 THR 516 -0.525 6.979 -2.963 654 HG21 THR 516 HG21 THR 516 1.798 7.442 -2.353 655 HG22 THR 516 HG22 THR 516 2.044 5.729 -2.014 656 HG23 THR 516 HG23 THR 516 2.293 6.925 -0.742 657 H VAL 517 H VAL 517 -0.896 6.784 1.830 658 HA VAL 517 HA VAL 517 -3.703 6.164 1.180 659 HB VAL 517 HB VAL 517 -3.030 4.780 3.096 660 HG11 VAL 517 HG11 VAL 517 -2.472 5.805 5.248 661 HG12 VAL 517 HG12 VAL 517 -2.456 7.395 4.485 662 HG13 VAL 517 HG13 VAL 517 -1.273 6.177 4.011 663 HG21 VAL 517 HG21 VAL 517 -5.346 5.554 2.940 664 HG22 VAL 517 HG22 VAL 517 -4.933 6.992 3.873 665 HG23 VAL 517 HG23 VAL 517 -4.836 5.399 4.622 666 H ASP 518 H ASP 518 -5.255 7.749 1.851 667 HA ASP 518 HA ASP 518 -6.064 9.859 1.750 668 HB2 ASP 518 HB2 ASP 518 -5.317 9.804 4.135 669 HB3 ASP 518 HB3 ASP 518 -3.799 10.551 3.641 670 H GLU 519 H GLU 519 -4.311 9.170 -0.334 671 HA GLU 519 HA GLU 519 -2.519 11.097 -1.179 672 HB2 GLU 519 HB2 GLU 519 -4.559 9.502 -2.736 673 HB3 GLU 519 HB3 GLU 519 -3.361 10.520 -3.518 674 HG2 GLU 519 HG2 GLU 519 -2.635 8.304 -1.620 675 HG3 GLU 519 HG3 GLU 519 -2.817 8.066 -3.358 676 H GLU 520 H GLU 520 -5.996 11.271 -1.004 677 HA GLU 520 HA GLU 520 -6.411 13.611 -2.549 678 HB2 GLU 520 HB2 GLU 520 -8.124 12.727 -0.222 679 HB3 GLU 520 HB3 GLU 520 -8.625 13.590 -1.668 680 HG2 GLU 520 HG2 GLU 520 -7.639 10.740 -1.647 681 HG3 GLU 520 HG3 GLU 520 -9.335 11.205 -1.577 682 H ASN 521 H ASN 521 -5.292 13.082 0.699 683 HA ASN 521 HA ASN 521 -4.723 14.405 2.433 684 HB2 ASN 521 HB2 ASN 521 -4.516 16.514 0.275 685 HB3 ASN 521 HB3 ASN 521 -3.941 16.722 1.927 686 HD21 ASN 521 HD21 ASN 521 -3.054 13.899 2.079 687 HD22 ASN 521 HD22 ASN 521 -1.597 13.844 1.155 688 H THR 522 H THR 522 -6.922 14.004 3.131 689 HA THR 522 HA THR 522 -8.736 16.325 2.864 690 HB THR 522 HB THR 522 -10.562 14.787 3.471 691 HG1 THR 522 HG1 THR 522 -8.473 12.826 3.512 692 HG21 THR 522 HG21 THR 522 -8.840 13.769 1.202 693 HG22 THR 522 HG22 THR 522 -10.017 15.080 1.105 694 HG23 THR 522 HG23 THR 522 -10.557 13.432 1.422 695 H VAL 523 H VAL 523 -7.094 14.295 5.207 696 HA VAL 523 HA VAL 523 -8.415 15.812 7.380 697 HB VAL 523 HB VAL 523 -9.297 13.515 7.236 698 HG11 VAL 523 HG11 VAL 523 -7.345 12.370 6.342 699 HG12 VAL 523 HG12 VAL 523 -7.878 11.602 7.837 700 HG13 VAL 523 HG13 VAL 523 -6.464 12.656 7.845 701 HG21 VAL 523 HG21 VAL 523 -9.024 12.944 9.601 702 HG22 VAL 523 HG22 VAL 523 -9.252 14.679 9.385 703 HG23 VAL 523 HG23 VAL 523 -7.643 14.037 9.713 704 H VAL 524 H VAL 524 -7.181 16.472 9.113 705 HA VAL 524 HA VAL 524 -4.292 16.409 8.819 706 HB VAL 524 HB VAL 524 -5.972 17.617 11.036 707 HG11 VAL 524 HG11 VAL 524 -3.677 17.230 11.749 708 HG12 VAL 524 HG12 VAL 524 -3.959 18.956 11.528 709 HG13 VAL 524 HG13 VAL 524 -3.067 18.045 10.309 710 HG21 VAL 524 HG21 VAL 524 -4.803 18.907 8.564 711 HG22 VAL 524 HG22 VAL 524 -5.620 19.758 9.875 712 HG23 VAL 524 HG23 VAL 524 -6.513 18.611 8.876 713 H GLU 525 H GLU 525 -3.174 14.693 9.500 714 HA GLU 525 HA GLU 525 -4.254 12.965 11.619 715 HB2 GLU 525 HB2 GLU 525 -2.027 12.474 9.629 716 HB3 GLU 525 HB3 GLU 525 -2.693 11.284 10.741 717 HG2 GLU 525 HG2 GLU 525 -4.804 11.310 9.606 718 HG3 GLU 525 HG3 GLU 525 -4.294 12.661 8.593 719 H LEU 526 H LEU 526 -2.323 11.705 12.782 720 HA LEU 526 HA LEU 526 -0.829 13.676 14.286 721 HB2 LEU 526 HB2 LEU 526 -0.934 10.658 14.434 722 HB3 LEU 526 HB3 LEU 526 0.037 11.644 15.510 723 HG LEU 526 HG LEU 526 -2.978 11.757 15.289 724 HD11 LEU 526 HD11 LEU 526 -2.958 10.724 17.513 725 HD12 LEU 526 HD12 LEU 526 -1.204 10.567 17.424 726 HD13 LEU 526 HD13 LEU 526 -2.228 9.676 16.300 727 HD21 LEU 526 HD21 LEU 526 -1.088 13.146 17.199 728 HD22 LEU 526 HD22 LEU 526 -2.850 13.183 17.280 729 HD23 LEU 526 HD23 LEU 526 -2.016 13.917 15.911 730 H ASN 527 H ASN 527 -0.035 11.061 12.009 731 HA ASN 527 HA ASN 527 2.631 12.286 11.670 732 HB2 ASN 527 HB2 ASN 527 2.706 10.158 13.003 733 HB3 ASN 527 HB3 ASN 527 2.073 9.309 11.597 734 HD21 ASN 527 HD21 ASN 527 4.542 8.797 12.895 735 HD22 ASN 527 HD22 ASN 527 5.803 9.111 11.758 736 H GLU 528 H GLU 528 2.274 13.317 9.758 737 HA GLU 528 HA GLU 528 0.868 12.009 7.578 738 HB2 GLU 528 HB2 GLU 528 1.276 14.149 6.371 739 HB3 GLU 528 HB3 GLU 528 0.452 14.356 7.909 740 HG2 GLU 528 HG2 GLU 528 2.590 15.002 8.947 741 HG3 GLU 528 HG3 GLU 528 3.375 14.857 7.375 742 H ASN 529 H ASN 529 3.821 11.509 8.704 743 HA ASN 529 HA ASN 529 5.023 11.070 6.039 744 HB2 ASN 529 HB2 ASN 529 6.359 12.339 7.740 745 HB3 ASN 529 HB3 ASN 529 6.343 10.913 8.768 746 HD21 ASN 529 HD21 ASN 529 6.668 10.837 5.273 747 HD22 ASN 529 HD22 ASN 529 8.298 10.278 5.265 748 H ASN 530 H ASN 530 3.073 9.544 8.115 749 HA ASN 530 HA ASN 530 4.411 6.937 8.194 750 HB2 ASN 530 HB2 ASN 530 3.338 7.988 10.221 751 HB3 ASN 530 HB3 ASN 530 1.782 7.801 9.428 752 HD21 ASN 530 HD21 ASN 530 1.087 6.520 11.160 753 HD22 ASN 530 HD22 ASN 530 1.607 4.883 11.326 754 H ASN 531 H ASN 531 2.569 8.495 5.991 755 HA ASN 531 HA ASN 531 0.440 6.587 5.570 756 HB2 ASN 531 HB2 ASN 531 1.230 8.886 3.773 757 HB3 ASN 531 HB3 ASN 531 -0.344 8.100 3.885 758 HD21 ASN 531 HD21 ASN 531 -1.666 8.555 5.684 759 HD22 ASN 531 HD22 ASN 531 -1.385 9.931 6.684 760 H VAL 532 H VAL 532 3.659 6.866 4.368 761 HA VAL 532 HA VAL 532 2.986 5.250 1.981 762 HB VAL 532 HB VAL 532 5.447 6.967 2.385 763 HG11 VAL 532 HG11 VAL 532 4.386 5.548 -0.065 764 HG12 VAL 532 HG12 VAL 532 5.829 5.113 0.851 765 HG13 VAL 532 HG13 VAL 532 5.774 6.636 -0.035 766 HG21 VAL 532 HG21 VAL 532 4.394 8.493 0.731 767 HG22 VAL 532 HG22 VAL 532 3.511 8.405 2.255 768 HG23 VAL 532 HG23 VAL 532 2.916 7.539 0.841 769 H ALA 533 H ALA 533 4.055 3.350 1.560 770 HA ALA 533 HA ALA 533 6.211 2.504 3.395 771 HB1 ALA 533 HB1 ALA 533 3.896 0.762 2.537 772 HB2 ALA 533 HB2 ALA 533 4.107 1.478 4.136 773 HB3 ALA 533 HB3 ALA 533 5.252 0.271 3.552 774 H THR 534 H THR 534 7.901 1.458 2.459 775 HA THR 534 HA THR 534 7.823 1.130 -0.478 776 HB THR 534 HB THR 534 10.144 1.652 1.398 777 HG1 THR 534 HG1 THR 534 8.883 3.477 0.720 778 HG21 THR 534 HG21 THR 534 10.252 1.121 -1.577 779 HG22 THR 534 HG22 THR 534 10.874 0.055 -0.317 780 HG23 THR 534 HG23 THR 534 11.604 1.640 -0.573 781 H PHE 535 H PHE 535 8.135 -0.806 -1.402 782 HA PHE 535 HA PHE 535 9.707 -2.862 -0.007 783 HB2 PHE 535 HB2 PHE 535 7.277 -3.332 0.405 784 HB3 PHE 535 HB3 PHE 535 7.041 -3.458 -1.333 785 HD1 PHE 535 HD1 PHE 535 8.483 -5.056 1.638 786 HD2 PHE 535 HD2 PHE 535 7.810 -5.411 -2.556 787 HE1 PHE 535 HE1 PHE 535 9.053 -7.446 1.748 788 HE2 PHE 535 HE2 PHE 535 8.383 -7.798 -2.445 789 HZ PHE 535 HZ PHE 535 9.005 -8.818 -0.295 790 H ASP 536 H ASP 536 11.340 -3.432 -1.362 791 HA ASP 536 HA ASP 536 11.018 -2.889 -4.224 792 HB2 ASP 536 HB2 ASP 536 13.459 -3.077 -4.363 793 HB3 ASP 536 HB3 ASP 536 12.972 -1.918 -3.136 794 H VAL 537 H VAL 537 11.131 -4.379 -5.813 795 HA VAL 537 HA VAL 537 11.447 -7.222 -5.078 796 HB VAL 537 HB VAL 537 9.471 -6.112 -7.089 797 HG11 VAL 537 HG11 VAL 537 9.899 -8.936 -6.099 798 HG12 VAL 537 HG12 VAL 537 10.274 -8.323 -7.712 799 HG13 VAL 537 HG13 VAL 537 8.597 -8.413 -7.171 800 HG21 VAL 537 HG21 VAL 537 8.929 -7.302 -4.363 801 HG22 VAL 537 HG22 VAL 537 7.720 -6.743 -5.521 802 HG23 VAL 537 HG23 VAL 537 8.823 -5.589 -4.771 803 H SER 538 H SER 538 12.848 -8.352 -6.310 804 HA SER 538 HA SER 538 14.046 -7.052 -8.659 805 HB2 SER 538 HB2 SER 538 15.623 -7.835 -6.975 806 HB3 SER 538 HB3 SER 538 14.944 -9.458 -7.048 807 HG SER 538 HG SER 538 16.740 -8.210 -8.728 808 H VAL 539 H VAL 539 13.302 -7.576 -10.629 809 HA VAL 539 HA VAL 539 12.112 -10.245 -11.054 810 HB VAL 539 HB VAL 539 11.829 -7.755 -12.760 811 HG11 VAL 539 HG11 VAL 539 10.439 -10.436 -12.940 812 HG12 VAL 539 HG12 VAL 539 11.617 -9.790 -14.082 813 HG13 VAL 539 HG13 VAL 539 10.045 -9.012 -13.905 814 HG21 VAL 539 HG21 VAL 539 10.726 -7.500 -10.593 815 HG22 VAL 539 HG22 VAL 539 9.867 -9.021 -10.839 816 HG23 VAL 539 HG23 VAL 539 9.542 -7.645 -11.890 817 H VAL 540 H VAL 540 13.268 -11.698 -12.144 818 HA VAL 540 HA VAL 540 15.406 -10.771 -13.973 819 HB VAL 540 HB VAL 540 16.738 -12.766 -13.237 820 HG11 VAL 540 HG11 VAL 540 17.230 -10.522 -12.387 821 HG12 VAL 540 HG12 VAL 540 17.534 -11.748 -11.158 822 HG13 VAL 540 HG13 VAL 540 16.076 -10.758 -11.072 823 HG21 VAL 540 HG21 VAL 540 16.153 -13.816 -11.084 824 HG22 VAL 540 HG22 VAL 540 14.927 -14.114 -12.315 825 HG23 VAL 540 HG23 VAL 540 14.640 -12.909 -11.058 826 H LEU 541 H LEU 541 16.189 -12.511 -15.489 827 HA LEU 541 HA LEU 541 13.902 -13.734 -16.802 828 HB2 LEU 541 HB2 LEU 541 16.828 -13.621 -17.560 829 HB3 LEU 541 HB3 LEU 541 15.575 -14.334 -18.560 830 HG LEU 541 HG LEU 541 15.697 -11.419 -17.750 831 HD11 LEU 541 HD11 LEU 541 16.287 -10.987 -20.078 832 HD12 LEU 541 HD12 LEU 541 16.310 -12.720 -20.408 833 HD13 LEU 541 HD13 LEU 541 17.492 -12.013 -19.304 834 HD21 LEU 541 HD21 LEU 541 13.407 -12.195 -18.084 835 HD22 LEU 541 HD22 LEU 541 13.848 -12.863 -19.658 836 HD23 LEU 541 HD23 LEU 541 13.900 -11.119 -19.391 837 H GLU 542 H GLU 542 16.208 -14.771 -14.532 838 HA GLU 542 HA GLU 542 16.193 -17.557 -15.356 839 HB2 GLU 542 HB2 GLU 542 17.520 -17.920 -13.239 840 HB3 GLU 542 HB3 GLU 542 18.254 -16.862 -14.434 841 HG2 GLU 542 HG2 GLU 542 17.757 -14.924 -13.154 842 HG3 GLU 542 HG3 GLU 542 16.718 -15.834 -12.059 Start of MODEL 19 1 H1 MET 435 H1 MET 435 -10.957 17.193 21.335 2 H2 MET 435 H2 MET 435 -9.504 16.382 21.616 3 H3 MET 435 H3 MET 435 -10.854 15.528 21.060 4 HA MET 435 HA MET 435 -10.821 16.788 18.994 5 HB2 MET 435 HB2 MET 435 -9.737 18.809 19.872 6 HB3 MET 435 HB3 MET 435 -8.247 17.915 20.135 7 HG2 MET 435 HG2 MET 435 -8.146 19.301 18.128 8 HG3 MET 435 HG3 MET 435 -7.984 17.588 17.750 9 HE1 MET 435 HE1 MET 435 -11.776 20.106 16.951 10 HE2 MET 435 HE2 MET 435 -10.287 20.740 17.648 11 HE3 MET 435 HE3 MET 435 -11.297 19.634 18.582 12 H GLU 436 H GLU 436 -10.676 14.851 18.021 13 HA GLU 436 HA GLU 436 -8.404 13.111 18.592 14 HB2 GLU 436 HB2 GLU 436 -11.056 12.639 17.222 15 HB3 GLU 436 HB3 GLU 436 -9.801 11.415 17.323 16 HG2 GLU 436 HG2 GLU 436 -11.489 11.072 19.031 17 HG3 GLU 436 HG3 GLU 436 -9.931 11.455 19.758 18 H PHE 437 H PHE 437 -6.754 12.847 17.258 19 HA PHE 437 HA PHE 437 -7.034 13.585 14.410 20 HB2 PHE 437 HB2 PHE 437 -4.536 13.473 16.128 21 HB3 PHE 437 HB3 PHE 437 -4.562 13.852 14.411 22 HD1 PHE 437 HD1 PHE 437 -5.545 15.975 13.625 23 HD2 PHE 437 HD2 PHE 437 -5.106 15.106 17.774 24 HE1 PHE 437 HE1 PHE 437 -5.825 18.359 14.153 25 HE2 PHE 437 HE2 PHE 437 -5.389 17.492 18.305 26 HZ PHE 437 HZ PHE 437 -5.748 19.121 16.493 27 HA PRO 438 HA PRO 438 -6.487 9.163 13.788 28 HB2 PRO 438 HB2 PRO 438 -6.581 9.179 11.070 29 HB3 PRO 438 HB3 PRO 438 -8.020 9.326 12.088 30 HG2 PRO 438 HG2 PRO 438 -6.484 11.454 10.661 31 HG3 PRO 438 HG3 PRO 438 -8.234 11.276 10.854 32 HD2 PRO 438 HD2 PRO 438 -6.712 12.989 12.352 33 HD3 PRO 438 HD3 PRO 438 -8.232 12.270 12.921 34 H ASP 439 H ASP 439 -5.034 7.773 12.343 35 HA ASP 439 HA ASP 439 -2.551 8.975 11.487 36 HB2 ASP 439 HB2 ASP 439 -2.301 8.690 13.979 37 HB3 ASP 439 HB3 ASP 439 -2.488 6.956 13.748 38 H LEU 440 H LEU 440 -3.385 8.071 9.524 39 HA LEU 440 HA LEU 440 -3.778 5.227 9.267 40 HB2 LEU 440 HB2 LEU 440 -3.680 7.448 7.223 41 HB3 LEU 440 HB3 LEU 440 -4.080 5.782 6.849 42 HG LEU 440 HG LEU 440 -5.679 7.435 8.811 43 HD11 LEU 440 HD11 LEU 440 -5.738 8.551 6.646 44 HD12 LEU 440 HD12 LEU 440 -7.294 7.806 7.014 45 HD13 LEU 440 HD13 LEU 440 -6.198 7.038 5.863 46 HD21 LEU 440 HD21 LEU 440 -5.937 5.011 9.009 47 HD22 LEU 440 HD22 LEU 440 -6.322 4.905 7.290 48 HD23 LEU 440 HD23 LEU 440 -7.409 5.759 8.386 49 H THR 441 H THR 441 -2.157 3.826 9.110 50 HA THR 441 HA THR 441 0.237 4.568 7.543 51 HB THR 441 HB THR 441 0.889 4.515 9.887 52 HG1 THR 441 HG1 THR 441 2.554 2.988 9.697 53 HG21 THR 441 HG21 THR 441 0.719 2.487 11.238 54 HG22 THR 441 HG22 THR 441 -0.134 1.673 9.926 55 HG23 THR 441 HG23 THR 441 -0.882 3.045 10.746 56 H VAL 442 H VAL 442 1.314 2.803 6.464 57 HA VAL 442 HA VAL 442 -0.402 0.449 6.004 58 HB VAL 442 HB VAL 442 0.114 0.597 3.557 59 HG11 VAL 442 HG11 VAL 442 -1.554 2.303 3.060 60 HG12 VAL 442 HG12 VAL 442 -1.374 2.976 4.681 61 HG13 VAL 442 HG13 VAL 442 -2.043 1.358 4.468 62 HG21 VAL 442 HG21 VAL 442 1.099 3.367 4.264 63 HG22 VAL 442 HG22 VAL 442 0.878 2.733 2.633 64 HG23 VAL 442 HG23 VAL 442 2.097 2.028 3.697 65 H GLU 443 H GLU 443 0.613 -1.445 5.375 66 HA GLU 443 HA GLU 443 3.569 -1.450 5.249 67 HB2 GLU 443 HB2 GLU 443 1.812 -3.533 6.575 68 HB3 GLU 443 HB3 GLU 443 3.551 -3.644 6.391 69 HG2 GLU 443 HG2 GLU 443 3.777 -1.609 7.802 70 HG3 GLU 443 HG3 GLU 443 2.032 -1.648 8.060 71 H ILE 444 H ILE 444 4.496 -2.823 3.721 72 HA ILE 444 HA ILE 444 2.616 -4.271 1.950 73 HB ILE 444 HB ILE 444 5.322 -3.112 1.235 74 HG12 ILE 444 HG12 ILE 444 2.539 -2.225 0.419 75 HG13 ILE 444 HG13 ILE 444 3.577 -1.389 1.569 76 HG21 ILE 444 HG21 ILE 444 3.271 -4.488 -0.513 77 HG22 ILE 444 HG22 ILE 444 4.832 -5.150 -0.029 78 HG23 ILE 444 HG23 ILE 444 4.762 -3.733 -1.077 79 HD11 ILE 444 HD11 ILE 444 3.620 -0.302 -0.588 80 HD12 ILE 444 HD12 ILE 444 4.143 -1.800 -1.357 81 HD13 ILE 444 HD13 ILE 444 5.203 -0.981 -0.208 82 H LYS 445 H LYS 445 2.919 -6.424 1.657 83 HA LYS 445 HA LYS 445 5.444 -7.632 2.593 84 HB2 LYS 445 HB2 LYS 445 3.387 -7.773 4.214 85 HB3 LYS 445 HB3 LYS 445 2.811 -9.000 3.094 86 HG2 LYS 445 HG2 LYS 445 3.940 -10.108 4.873 87 HG3 LYS 445 HG3 LYS 445 4.967 -10.222 3.441 88 HD2 LYS 445 HD2 LYS 445 6.274 -8.276 4.277 89 HD3 LYS 445 HD3 LYS 445 5.283 -8.279 5.736 90 HE2 LYS 445 HE2 LYS 445 6.062 -10.581 6.215 91 HE3 LYS 445 HE3 LYS 445 7.114 -10.493 4.801 92 HZ1 LYS 445 HZ1 LYS 445 7.261 -8.825 7.251 93 HZ2 LYS 445 HZ2 LYS 445 8.174 -8.526 5.859 94 HZ3 LYS 445 HZ3 LYS 445 8.390 -9.962 6.724 95 H GLY 446 H GLY 446 6.117 -9.488 1.464 96 HA2 GLY 446 HA2 GLY 446 4.742 -11.208 -0.126 97 HA3 GLY 446 HA3 GLY 446 4.961 -9.819 -1.176 98 HA PRO 447 HA PRO 447 8.680 -12.675 -1.546 99 HB2 PRO 447 HB2 PRO 447 8.526 -13.071 -4.230 100 HB3 PRO 447 HB3 PRO 447 7.642 -14.065 -3.066 101 HG2 PRO 447 HG2 PRO 447 6.667 -11.747 -4.699 102 HG3 PRO 447 HG3 PRO 447 5.880 -13.308 -4.393 103 HD2 PRO 447 HD2 PRO 447 5.222 -11.044 -3.044 104 HD3 PRO 447 HD3 PRO 447 5.125 -12.655 -2.307 105 H ASP 448 H ASP 448 10.583 -11.666 -1.638 106 HA ASP 448 HA ASP 448 10.844 -9.030 -2.734 107 HB2 ASP 448 HB2 ASP 448 13.150 -9.164 -1.864 108 HB3 ASP 448 HB3 ASP 448 11.956 -9.631 -0.657 109 H VAL 449 H VAL 449 11.519 -12.212 -3.929 110 HA VAL 449 HA VAL 449 12.644 -11.017 -6.383 111 HB VAL 449 HB VAL 449 13.555 -13.630 -5.140 112 HG11 VAL 449 HG11 VAL 449 13.510 -13.787 -7.570 113 HG12 VAL 449 HG12 VAL 449 15.175 -13.718 -6.997 114 HG13 VAL 449 HG13 VAL 449 14.427 -12.285 -7.706 115 HG21 VAL 449 HG21 VAL 449 15.740 -12.518 -4.918 116 HG22 VAL 449 HG22 VAL 449 14.490 -11.698 -3.984 117 HG23 VAL 449 HG23 VAL 449 15.032 -11.018 -5.519 118 H VAL 450 H VAL 450 11.588 -11.575 -8.203 119 HA VAL 450 HA VAL 450 9.954 -14.030 -8.227 120 HB VAL 450 HB VAL 450 8.121 -12.837 -9.392 121 HG11 VAL 450 HG11 VAL 450 7.946 -13.214 -6.994 122 HG12 VAL 450 HG12 VAL 450 7.212 -11.670 -7.426 123 HG13 VAL 450 HG13 VAL 450 8.806 -11.707 -6.672 124 HG21 VAL 450 HG21 VAL 450 9.678 -10.338 -8.704 125 HG22 VAL 450 HG22 VAL 450 8.040 -10.381 -9.358 126 HG23 VAL 450 HG23 VAL 450 9.392 -10.975 -10.324 127 H GLY 451 H GLY 451 9.444 -14.842 -10.354 128 HA2 GLY 451 HA2 GLY 451 11.564 -14.309 -12.287 129 HA3 GLY 451 HA3 GLY 451 10.409 -15.629 -12.338 130 H VAL 452 H VAL 452 11.200 -13.909 -14.515 131 HA VAL 452 HA VAL 452 9.257 -11.936 -15.067 132 HB VAL 452 HB VAL 452 11.457 -12.101 -16.221 133 HG11 VAL 452 HG11 VAL 452 10.187 -14.391 -17.723 134 HG12 VAL 452 HG12 VAL 452 11.528 -14.509 -16.586 135 HG13 VAL 452 HG13 VAL 452 11.736 -13.638 -18.105 136 HG21 VAL 452 HG21 VAL 452 9.724 -10.686 -17.154 137 HG22 VAL 452 HG22 VAL 452 9.041 -12.054 -18.034 138 HG23 VAL 452 HG23 VAL 452 10.643 -11.447 -18.452 139 H ASN 453 H ASN 453 7.352 -11.980 -16.199 140 HA ASN 453 HA ASN 453 5.405 -12.729 -17.096 141 HB2 ASN 453 HB2 ASN 453 6.970 -15.193 -17.899 142 HB3 ASN 453 HB3 ASN 453 5.430 -14.670 -18.573 143 HD21 ASN 453 HD21 ASN 453 8.121 -15.089 -19.768 144 HD22 ASN 453 HD22 ASN 453 8.482 -13.612 -20.585 145 H LYS 454 H LYS 454 6.616 -13.872 -14.381 146 HA LYS 454 HA LYS 454 4.737 -16.087 -13.977 147 HB2 LYS 454 HB2 LYS 454 6.977 -15.005 -12.252 148 HB3 LYS 454 HB3 LYS 454 5.921 -16.326 -11.772 149 HG2 LYS 454 HG2 LYS 454 7.775 -16.319 -14.154 150 HG3 LYS 454 HG3 LYS 454 8.052 -17.152 -12.625 151 HD2 LYS 454 HD2 LYS 454 5.787 -17.702 -14.556 152 HD3 LYS 454 HD3 LYS 454 7.228 -18.696 -14.344 153 HE2 LYS 454 HE2 LYS 454 6.590 -19.170 -12.041 154 HE3 LYS 454 HE3 LYS 454 5.181 -18.121 -12.196 155 HZ1 LYS 454 HZ1 LYS 454 4.590 -20.442 -12.440 156 HZ2 LYS 454 HZ2 LYS 454 5.658 -20.615 -13.737 157 HZ3 LYS 454 HZ3 LYS 454 4.304 -19.614 -13.881 158 H LEU 455 H LEU 455 3.567 -16.126 -11.827 159 HA LEU 455 HA LEU 455 2.346 -13.485 -11.363 160 HB2 LEU 455 HB2 LEU 455 0.904 -15.386 -12.117 161 HB3 LEU 455 HB3 LEU 455 1.281 -16.214 -10.616 162 HG LEU 455 HG LEU 455 0.230 -14.347 -9.354 163 HD11 LEU 455 HD11 LEU 455 -1.152 -12.721 -10.567 164 HD12 LEU 455 HD12 LEU 455 -0.539 -13.348 -12.097 165 HD13 LEU 455 HD13 LEU 455 0.558 -12.559 -10.965 166 HD21 LEU 455 HD21 LEU 455 -1.539 -15.654 -11.426 167 HD22 LEU 455 HD22 LEU 455 -2.090 -14.907 -9.924 168 HD23 LEU 455 HD23 LEU 455 -1.067 -16.342 -9.872 169 H ALA 456 H ALA 456 2.449 -12.494 -9.415 170 HA ALA 456 HA ALA 456 3.354 -14.044 -7.070 171 HB1 ALA 456 HB1 ALA 456 5.281 -12.836 -7.965 172 HB2 ALA 456 HB2 ALA 456 4.809 -12.200 -6.389 173 HB3 ALA 456 HB3 ALA 456 4.391 -11.317 -7.858 174 H GLU 457 H GLU 457 2.389 -13.542 -5.142 175 HA GLU 457 HA GLU 457 0.215 -11.557 -5.193 176 HB2 GLU 457 HB2 GLU 457 0.774 -13.959 -3.464 177 HB3 GLU 457 HB3 GLU 457 -0.388 -12.735 -2.971 178 HG2 GLU 457 HG2 GLU 457 -1.720 -13.145 -4.939 179 HG3 GLU 457 HG3 GLU 457 -0.527 -14.304 -5.541 180 H TYR 458 H TYR 458 0.158 -9.819 -3.864 181 HA TYR 458 HA TYR 458 2.201 -9.582 -1.752 182 HB2 TYR 458 HB2 TYR 458 1.396 -7.468 -3.763 183 HB3 TYR 458 HB3 TYR 458 2.309 -7.114 -2.300 184 HD1 TYR 458 HD1 TYR 458 2.421 -8.815 -5.576 185 HD2 TYR 458 HD2 TYR 458 4.645 -7.679 -2.123 186 HE1 TYR 458 HE1 TYR 458 4.510 -9.385 -6.738 187 HE2 TYR 458 HE2 TYR 458 6.738 -8.245 -3.280 188 HH TYR 458 HH TYR 458 7.532 -9.578 -5.099 189 H GLU 459 H GLU 459 1.640 -8.152 -0.002 190 HA GLU 459 HA GLU 459 -1.283 -7.960 0.424 191 HB2 GLU 459 HB2 GLU 459 0.880 -8.530 2.467 192 HB3 GLU 459 HB3 GLU 459 -0.835 -8.374 2.815 193 HG2 GLU 459 HG2 GLU 459 -1.291 -10.372 1.483 194 HG3 GLU 459 HG3 GLU 459 0.428 -10.519 1.112 195 H VAL 460 H VAL 460 -2.009 -5.958 0.779 196 HA VAL 460 HA VAL 460 -0.190 -3.920 1.877 197 HB VAL 460 HB VAL 460 -2.948 -3.492 0.692 198 HG11 VAL 460 HG11 VAL 460 -2.247 -1.719 2.204 199 HG12 VAL 460 HG12 VAL 460 -2.244 -1.138 0.539 200 HG13 VAL 460 HG13 VAL 460 -0.723 -1.549 1.334 201 HG21 VAL 460 HG21 VAL 460 -1.821 -2.701 -1.335 202 HG22 VAL 460 HG22 VAL 460 -1.460 -4.399 -1.020 203 HG23 VAL 460 HG23 VAL 460 -0.261 -3.158 -0.651 204 H HIS 461 H HIS 461 -0.271 -3.806 4.040 205 HA HIS 461 HA HIS 461 -2.762 -4.373 5.477 206 HB2 HIS 461 HB2 HIS 461 0.097 -3.994 6.384 207 HB3 HIS 461 HB3 HIS 461 -1.239 -4.100 7.520 208 HD1 HIS 461 HD1 HIS 461 -1.853 -6.396 8.262 209 HD2 HIS 461 HD2 HIS 461 0.358 -6.434 4.738 210 HE1 HIS 461 HE1 HIS 461 -1.362 -8.812 7.795 211 HE2 HIS 461 HE2 HIS 461 0.110 -8.797 5.763 212 H VAL 462 H VAL 462 -4.100 -2.660 5.527 213 HA VAL 462 HA VAL 462 -2.981 0.028 5.961 214 HB VAL 462 HB VAL 462 -5.049 0.933 5.034 215 HG11 VAL 462 HG11 VAL 462 -3.263 0.451 3.474 216 HG12 VAL 462 HG12 VAL 462 -4.816 0.124 2.709 217 HG13 VAL 462 HG13 VAL 462 -3.821 -1.210 3.294 218 HG21 VAL 462 HG21 VAL 462 -6.772 -0.510 4.047 219 HG22 VAL 462 HG22 VAL 462 -6.620 -0.793 5.781 220 HG23 VAL 462 HG23 VAL 462 -5.919 -1.938 4.637 221 H LYS 463 H LYS 463 -3.355 1.024 7.848 222 HA LYS 463 HA LYS 463 -5.583 0.183 9.542 223 HB2 LYS 463 HB2 LYS 463 -3.981 -0.068 11.490 224 HB3 LYS 463 HB3 LYS 463 -3.950 -1.353 10.289 225 HG2 LYS 463 HG2 LYS 463 -1.893 -0.701 9.440 226 HG3 LYS 463 HG3 LYS 463 -2.029 0.931 10.088 227 HD2 LYS 463 HD2 LYS 463 -0.404 -0.256 11.393 228 HD3 LYS 463 HD3 LYS 463 -1.852 -0.047 12.382 229 HE2 LYS 463 HE2 LYS 463 -2.544 -2.334 11.858 230 HE3 LYS 463 HE3 LYS 463 -1.105 -2.541 10.862 231 HZ1 LYS 463 HZ1 LYS 463 0.216 -2.084 12.902 232 HZ2 LYS 463 HZ2 LYS 463 -0.684 -3.515 12.958 233 HZ3 LYS 463 HZ3 LYS 463 -1.217 -2.145 13.793 234 H ASN 464 H ASN 464 -6.002 1.563 11.328 235 HA ASN 464 HA ASN 464 -4.808 4.267 11.114 236 HB2 ASN 464 HB2 ASN 464 -7.262 4.036 10.572 237 HB3 ASN 464 HB3 ASN 464 -7.526 3.494 12.223 238 HD21 ASN 464 HD21 ASN 464 -8.626 5.757 10.863 239 HD22 ASN 464 HD22 ASN 464 -8.189 7.150 11.780 240 H LEU 465 H LEU 465 -3.685 4.958 12.872 241 HA LEU 465 HA LEU 465 -3.913 3.381 15.362 242 HB2 LEU 465 HB2 LEU 465 -1.536 4.919 14.303 243 HB3 LEU 465 HB3 LEU 465 -1.573 4.000 15.797 244 HG LEU 465 HG LEU 465 -1.876 2.835 13.019 245 HD11 LEU 465 HD11 LEU 465 0.389 3.621 13.411 246 HD12 LEU 465 HD12 LEU 465 0.335 1.858 13.407 247 HD13 LEU 465 HD13 LEU 465 0.455 2.734 14.935 248 HD21 LEU 465 HD21 LEU 465 -1.688 0.660 14.144 249 HD22 LEU 465 HD22 LEU 465 -3.116 1.551 14.669 250 HD23 LEU 465 HD23 LEU 465 -1.695 1.475 15.711 251 H GLY 466 H GLY 466 -4.856 6.264 14.150 252 HA2 GLY 466 HA2 GLY 466 -4.070 8.047 16.269 253 HA3 GLY 466 HA3 GLY 466 -5.248 8.377 15.013 254 H GLY 467 H GLY 467 -6.621 5.759 15.906 255 HA2 GLY 467 HA2 GLY 467 -8.062 5.043 17.609 256 HA3 GLY 467 HA3 GLY 467 -7.670 6.484 18.530 257 H ILE 468 H ILE 468 -8.523 7.187 15.318 258 HA ILE 468 HA ILE 468 -11.394 7.413 15.902 259 HB ILE 468 HB ILE 468 -10.697 9.620 16.372 260 HG12 ILE 468 HG12 ILE 468 -11.584 9.620 13.466 261 HG13 ILE 468 HG13 ILE 468 -12.657 9.486 14.860 262 HG21 ILE 468 HG21 ILE 468 -9.057 9.605 13.839 263 HG22 ILE 468 HG22 ILE 468 -8.427 9.472 15.481 264 HG23 ILE 468 HG23 ILE 468 -9.224 10.956 14.961 265 HD11 ILE 468 HD11 ILE 468 -10.933 11.847 14.146 266 HD12 ILE 468 HD12 ILE 468 -11.947 11.725 15.585 267 HD13 ILE 468 HD13 ILE 468 -12.683 11.729 13.983 268 H GLY 469 H GLY 469 -12.706 6.914 14.198 269 HA2 GLY 469 HA2 GLY 469 -11.435 5.517 12.025 270 HA3 GLY 469 HA3 GLY 469 -13.154 5.610 12.345 271 H VAL 470 H VAL 470 -11.295 5.990 9.916 272 HA VAL 470 HA VAL 470 -12.589 8.449 8.910 273 HB VAL 470 HB VAL 470 -9.891 7.368 8.047 274 HG11 VAL 470 HG11 VAL 470 -11.332 9.917 7.291 275 HG12 VAL 470 HG12 VAL 470 -11.052 8.524 6.246 276 HG13 VAL 470 HG13 VAL 470 -9.688 9.488 6.812 277 HG21 VAL 470 HG21 VAL 470 -9.758 8.279 10.306 278 HG22 VAL 470 HG22 VAL 470 -10.531 9.771 9.769 279 HG23 VAL 470 HG23 VAL 470 -8.933 9.338 9.163 280 HA PRO 471 HA PRO 471 -14.098 5.390 5.879 281 HB2 PRO 471 HB2 PRO 471 -16.302 6.725 5.145 282 HB3 PRO 471 HB3 PRO 471 -16.206 5.911 6.711 283 HG2 PRO 471 HG2 PRO 471 -15.871 8.818 6.066 284 HG3 PRO 471 HG3 PRO 471 -16.741 8.067 7.416 285 HD2 PRO 471 HD2 PRO 471 -14.184 9.108 7.580 286 HD3 PRO 471 HD3 PRO 471 -14.838 7.878 8.678 287 H SER 472 H SER 472 -12.944 8.554 5.540 288 HA SER 472 HA SER 472 -13.429 8.872 2.702 289 HB2 SER 472 HB2 SER 472 -13.472 10.813 4.238 290 HB3 SER 472 HB3 SER 472 -11.760 10.568 4.582 291 HG SER 472 HG SER 472 -11.308 11.597 2.817 292 H THR 473 H THR 473 -11.537 6.699 3.893 293 HA THR 473 HA THR 473 -8.889 7.646 3.110 294 HB THR 473 HB THR 473 -9.778 5.103 4.488 295 HG1 THR 473 HG1 THR 473 -8.493 7.461 5.463 296 HG21 THR 473 HG21 THR 473 -6.981 6.133 3.990 297 HG22 THR 473 HG22 THR 473 -7.709 4.706 3.251 298 HG23 THR 473 HG23 THR 473 -7.403 4.740 4.988 299 H LYS 474 H LYS 474 -8.309 7.410 1.035 300 HA LYS 474 HA LYS 474 -8.979 4.928 -0.408 301 HB2 LYS 474 HB2 LYS 474 -7.866 7.547 -1.453 302 HB3 LYS 474 HB3 LYS 474 -8.243 6.139 -2.439 303 HG2 LYS 474 HG2 LYS 474 -10.615 6.334 -1.715 304 HG3 LYS 474 HG3 LYS 474 -10.192 7.829 -0.876 305 HD2 LYS 474 HD2 LYS 474 -9.475 8.822 -3.001 306 HD3 LYS 474 HD3 LYS 474 -9.870 7.322 -3.840 307 HE2 LYS 474 HE2 LYS 474 -12.230 7.589 -3.162 308 HE3 LYS 474 HE3 LYS 474 -11.817 9.116 -2.381 309 HZ1 LYS 474 HZ1 LYS 474 -11.637 8.496 -5.282 310 HZ2 LYS 474 HZ2 LYS 474 -11.063 9.922 -4.579 311 HZ3 LYS 474 HZ3 LYS 474 -12.712 9.569 -4.534 312 H VAL 475 H VAL 475 -7.468 3.444 -0.899 313 HA VAL 475 HA VAL 475 -4.629 4.001 -0.244 314 HB VAL 475 HB VAL 475 -6.050 1.328 -0.364 315 HG11 VAL 475 HG11 VAL 475 -3.279 2.021 0.627 316 HG12 VAL 475 HG12 VAL 475 -3.654 1.193 -0.885 317 HG13 VAL 475 HG13 VAL 475 -4.026 0.421 0.656 318 HG21 VAL 475 HG21 VAL 475 -5.206 2.949 2.045 319 HG22 VAL 475 HG22 VAL 475 -5.899 1.326 2.083 320 HG23 VAL 475 HG23 VAL 475 -6.864 2.684 1.502 321 H ARG 476 H ARG 476 -3.133 3.877 -1.851 322 HA ARG 476 HA ARG 476 -3.900 2.535 -4.377 323 HB2 ARG 476 HB2 ARG 476 -2.405 5.151 -4.066 324 HB3 ARG 476 HB3 ARG 476 -2.563 4.277 -5.585 325 HG2 ARG 476 HG2 ARG 476 -5.018 4.521 -5.442 326 HG3 ARG 476 HG3 ARG 476 -4.816 5.453 -3.958 327 HD2 ARG 476 HD2 ARG 476 -3.507 7.128 -5.203 328 HD3 ARG 476 HD3 ARG 476 -3.747 6.201 -6.686 329 HE ARG 476 HE ARG 476 -6.210 6.607 -6.243 330 HH11 ARG 476 HH11 ARG 476 -3.750 8.858 -5.331 331 HH12 ARG 476 HH12 ARG 476 -4.843 10.199 -5.327 332 HH21 ARG 476 HH21 ARG 476 -7.574 8.336 -6.262 333 HH22 ARG 476 HH22 ARG 476 -6.982 9.908 -5.836 334 H VAL 477 H VAL 477 -2.229 1.572 -5.594 335 HA VAL 477 HA VAL 477 0.335 1.176 -4.165 336 HB VAL 477 HB VAL 477 -1.182 -0.819 -5.875 337 HG11 VAL 477 HG11 VAL 477 1.550 -1.073 -4.600 338 HG12 VAL 477 HG12 VAL 477 1.203 -1.010 -6.328 339 HG13 VAL 477 HG13 VAL 477 0.659 -2.386 -5.369 340 HG21 VAL 477 HG21 VAL 477 -1.275 -2.160 -3.835 341 HG22 VAL 477 HG22 VAL 477 -2.037 -0.587 -3.589 342 HG23 VAL 477 HG23 VAL 477 -0.421 -0.893 -2.950 343 H TYR 478 H TYR 478 2.132 1.698 -5.256 344 HA TYR 478 HA TYR 478 1.923 2.243 -8.154 345 HB2 TYR 478 HB2 TYR 478 3.690 3.642 -6.125 346 HB3 TYR 478 HB3 TYR 478 3.575 4.023 -7.840 347 HD1 TYR 478 HD1 TYR 478 1.611 5.185 -8.728 348 HD2 TYR 478 HD2 TYR 478 1.956 4.331 -4.570 349 HE1 TYR 478 HE1 TYR 478 -0.196 6.777 -8.255 350 HE2 TYR 478 HE2 TYR 478 0.146 5.923 -4.092 351 HH TYR 478 HH TYR 478 -0.859 7.958 -5.203 352 H ILE 479 H ILE 479 3.386 1.307 -9.475 353 HA ILE 479 HA ILE 479 5.686 -0.105 -8.276 354 HB ILE 479 HB ILE 479 4.422 -0.499 -11.006 355 HG12 ILE 479 HG12 ILE 479 4.308 -2.253 -8.530 356 HG13 ILE 479 HG13 ILE 479 2.984 -1.259 -9.128 357 HG21 ILE 479 HG21 ILE 479 6.819 -0.998 -11.002 358 HG22 ILE 479 HG22 ILE 479 5.868 -2.473 -11.171 359 HG23 ILE 479 HG23 ILE 479 6.601 -2.072 -9.618 360 HD11 ILE 479 HD11 ILE 479 2.647 -3.558 -9.739 361 HD12 ILE 479 HD12 ILE 479 4.226 -3.617 -10.525 362 HD13 ILE 479 HD13 ILE 479 2.948 -2.597 -11.188 363 H ASN 480 H ASN 480 7.472 1.113 -8.332 364 HA ASN 480 HA ASN 480 9.012 2.688 -8.889 365 HB2 ASN 480 HB2 ASN 480 8.274 1.738 -11.667 366 HB3 ASN 480 HB3 ASN 480 9.599 2.853 -11.350 367 HD21 ASN 480 HD21 ASN 480 9.812 0.260 -12.529 368 HD22 ASN 480 HD22 ASN 480 10.811 -0.683 -11.480 369 H GLY 481 H GLY 481 6.313 3.604 -8.452 370 HA2 GLY 481 HA2 GLY 481 5.704 5.906 -8.281 371 HA3 GLY 481 HA3 GLY 481 6.555 6.220 -9.783 372 H THR 482 H THR 482 5.196 3.813 -11.033 373 HA THR 482 HA THR 482 2.906 5.283 -12.030 374 HB THR 482 HB THR 482 3.920 2.524 -12.780 375 HG1 THR 482 HG1 THR 482 4.421 5.130 -13.798 376 HG21 THR 482 HG21 THR 482 2.561 2.791 -14.813 377 HG22 THR 482 HG22 THR 482 1.926 4.315 -14.187 378 HG23 THR 482 HG23 THR 482 1.557 2.799 -13.364 379 H LEU 483 H LEU 483 0.805 4.994 -11.477 380 HA LEU 483 HA LEU 483 0.078 3.371 -9.276 381 HB2 LEU 483 HB2 LEU 483 -1.101 5.441 -9.815 382 HB3 LEU 483 HB3 LEU 483 -1.677 4.746 -11.320 383 HG LEU 483 HG LEU 483 -3.010 3.098 -10.059 384 HD11 LEU 483 HD11 LEU 483 -2.032 4.566 -7.609 385 HD12 LEU 483 HD12 LEU 483 -1.614 2.917 -8.071 386 HD13 LEU 483 HD13 LEU 483 -3.275 3.314 -7.639 387 HD21 LEU 483 HD21 LEU 483 -3.505 5.959 -9.223 388 HD22 LEU 483 HD22 LEU 483 -4.685 4.648 -9.160 389 HD23 LEU 483 HD23 LEU 483 -4.059 5.197 -10.714 390 H TYR 484 H TYR 484 -0.309 1.284 -9.196 391 HA TYR 484 HA TYR 484 -0.836 -0.265 -11.614 392 HB2 TYR 484 HB2 TYR 484 0.887 -1.120 -10.171 393 HB3 TYR 484 HB3 TYR 484 -0.159 -1.016 -8.760 394 HD1 TYR 484 HD1 TYR 484 0.449 -2.877 -11.911 395 HD2 TYR 484 HD2 TYR 484 -1.641 -2.794 -8.200 396 HE1 TYR 484 HE1 TYR 484 -0.215 -5.220 -12.232 397 HE2 TYR 484 HE2 TYR 484 -2.310 -5.136 -8.517 398 HH TYR 484 HH TYR 484 -0.880 -7.184 -10.593 399 H LYS 485 H LYS 485 -2.365 0.395 -8.462 400 HA LYS 485 HA LYS 485 -4.998 -0.150 -9.488 401 HB2 LYS 485 HB2 LYS 485 -4.028 -2.437 -9.026 402 HB3 LYS 485 HB3 LYS 485 -3.942 -1.993 -7.329 403 HG2 LYS 485 HG2 LYS 485 -6.358 -1.770 -7.233 404 HG3 LYS 485 HG3 LYS 485 -6.478 -2.113 -8.962 405 HD2 LYS 485 HD2 LYS 485 -5.478 -4.340 -8.562 406 HD3 LYS 485 HD3 LYS 485 -5.444 -3.996 -6.833 407 HE2 LYS 485 HE2 LYS 485 -7.368 -5.367 -7.347 408 HE3 LYS 485 HE3 LYS 485 -7.908 -3.757 -6.866 409 HZ1 LYS 485 HZ1 LYS 485 -8.165 -3.207 -9.223 410 HZ2 LYS 485 HZ2 LYS 485 -9.134 -4.517 -8.777 411 HZ3 LYS 485 HZ3 LYS 485 -7.713 -4.780 -9.649 412 H ASN 486 H ASN 486 -6.693 0.410 -7.940 413 HA ASN 486 HA ASN 486 -5.750 1.805 -5.522 414 HB2 ASN 486 HB2 ASN 486 -7.107 3.769 -6.021 415 HB3 ASN 486 HB3 ASN 486 -5.959 3.480 -7.324 416 HD21 ASN 486 HD21 ASN 486 -6.729 2.722 -9.324 417 HD22 ASN 486 HD22 ASN 486 -8.396 2.847 -9.757 418 H TRP 487 H TRP 487 -7.203 1.944 -3.817 419 HA TRP 487 HA TRP 487 -9.873 0.720 -4.139 420 HB2 TRP 487 HB2 TRP 487 -7.979 0.250 -1.814 421 HB3 TRP 487 HB3 TRP 487 -9.628 -0.346 -1.920 422 HD1 TRP 487 HD1 TRP 487 -10.071 -2.357 -3.723 423 HE1 TRP 487 HE1 TRP 487 -8.476 -4.180 -4.589 424 HE3 TRP 487 HE3 TRP 487 -5.614 -0.210 -2.437 425 HZ2 TRP 487 HZ2 TRP 487 -5.695 -4.644 -4.717 426 HZ3 TRP 487 HZ3 TRP 487 -3.533 -1.409 -2.965 427 HH2 TRP 487 HH2 TRP 487 -3.571 -3.581 -4.082 428 H THR 488 H THR 488 -11.524 1.701 -2.922 429 HA THR 488 HA THR 488 -10.717 3.861 -1.051 430 HB THR 488 HB THR 488 -13.351 3.574 -2.539 431 HG1 THR 488 HG1 THR 488 -11.284 4.434 -3.589 432 HG21 THR 488 HG21 THR 488 -12.424 5.730 -0.625 433 HG22 THR 488 HG22 THR 488 -13.684 4.538 -0.304 434 HG23 THR 488 HG23 THR 488 -13.921 5.759 -1.555 435 H VAL 489 H VAL 489 -11.025 3.405 1.060 436 HA VAL 489 HA VAL 489 -13.048 1.406 1.820 437 HB VAL 489 HB VAL 489 -11.436 0.243 3.288 438 HG11 VAL 489 HG11 VAL 489 -10.161 -0.935 1.530 439 HG12 VAL 489 HG12 VAL 489 -10.625 0.318 0.377 440 HG13 VAL 489 HG13 VAL 489 -11.858 -0.713 1.106 441 HG21 VAL 489 HG21 VAL 489 -9.365 1.999 1.958 442 HG22 VAL 489 HG22 VAL 489 -9.017 0.628 3.013 443 HG23 VAL 489 HG23 VAL 489 -9.845 2.047 3.654 444 H SER 490 H SER 490 -13.178 1.191 4.257 445 HA SER 490 HA SER 490 -12.801 3.806 5.581 446 HB2 SER 490 HB2 SER 490 -14.732 3.213 7.004 447 HB3 SER 490 HB3 SER 490 -15.179 3.195 5.297 448 HG SER 490 HG SER 490 -15.912 1.356 6.585 449 H LEU 491 H LEU 491 -11.594 3.858 7.424 450 HA LEU 491 HA LEU 491 -10.970 1.281 8.739 451 HB2 LEU 491 HB2 LEU 491 -9.135 3.644 8.286 452 HB3 LEU 491 HB3 LEU 491 -8.756 2.307 9.357 453 HG LEU 491 HG LEU 491 -9.189 2.088 6.369 454 HD11 LEU 491 HD11 LEU 491 -6.783 1.624 6.267 455 HD12 LEU 491 HD12 LEU 491 -6.649 1.945 7.997 456 HD13 LEU 491 HD13 LEU 491 -7.112 3.241 6.893 457 HD21 LEU 491 HD21 LEU 491 -8.349 0.007 8.396 458 HD22 LEU 491 HD22 LEU 491 -8.378 -0.215 6.645 459 HD23 LEU 491 HD23 LEU 491 -9.882 0.062 7.523 460 H GLY 492 H GLY 492 -11.753 1.189 10.723 461 HA2 GLY 492 HA2 GLY 492 -12.688 3.544 12.107 462 HA3 GLY 492 HA3 GLY 492 -12.823 1.883 12.655 463 HA PRO 493 HA PRO 493 -9.683 4.241 15.269 464 HB2 PRO 493 HB2 PRO 493 -10.747 3.436 17.671 465 HB3 PRO 493 HB3 PRO 493 -11.204 4.925 16.839 466 HG2 PRO 493 HG2 PRO 493 -12.600 2.276 16.883 467 HG3 PRO 493 HG3 PRO 493 -13.287 3.908 16.986 468 HD2 PRO 493 HD2 PRO 493 -13.332 2.473 14.701 469 HD3 PRO 493 HD3 PRO 493 -13.161 4.242 14.698 470 H LYS 494 H LYS 494 -7.911 3.000 14.946 471 HA LYS 494 HA LYS 494 -6.365 1.373 15.134 472 HB2 LYS 494 HB2 LYS 494 -8.075 0.490 17.468 473 HB3 LYS 494 HB3 LYS 494 -6.489 -0.176 17.093 474 HG2 LYS 494 HG2 LYS 494 -5.508 2.072 17.351 475 HG3 LYS 494 HG3 LYS 494 -7.098 2.692 17.803 476 HD2 LYS 494 HD2 LYS 494 -7.139 1.261 19.757 477 HD3 LYS 494 HD3 LYS 494 -5.615 0.511 19.278 478 HE2 LYS 494 HE2 LYS 494 -4.528 2.745 19.463 479 HE3 LYS 494 HE3 LYS 494 -6.047 3.390 20.083 480 HZ1 LYS 494 HZ1 LYS 494 -4.479 1.209 21.345 481 HZ2 LYS 494 HZ2 LYS 494 -5.892 1.906 21.960 482 HZ3 LYS 494 HZ3 LYS 494 -4.476 2.824 21.848 483 H GLU 495 H GLU 495 -8.470 1.060 13.289 484 HA GLU 495 HA GLU 495 -9.040 -1.820 13.227 485 HB2 GLU 495 HB2 GLU 495 -10.868 -0.240 12.753 486 HB3 GLU 495 HB3 GLU 495 -9.951 0.429 11.411 487 HG2 GLU 495 HG2 GLU 495 -11.655 -1.064 10.591 488 HG3 GLU 495 HG3 GLU 495 -10.061 -1.740 10.267 489 H GLU 496 H GLU 496 -8.265 -3.206 11.634 490 HA GLU 496 HA GLU 496 -6.281 -2.107 9.733 491 HB2 GLU 496 HB2 GLU 496 -5.161 -3.243 11.658 492 HB3 GLU 496 HB3 GLU 496 -6.002 -4.728 11.232 493 HG2 GLU 496 HG2 GLU 496 -4.886 -4.572 8.969 494 HG3 GLU 496 HG3 GLU 496 -3.903 -3.271 9.637 495 H LYS 497 H LYS 497 -6.486 -2.768 7.674 496 HA LYS 497 HA LYS 497 -8.124 -5.156 7.073 497 HB2 LYS 497 HB2 LYS 497 -8.122 -2.478 5.678 498 HB3 LYS 497 HB3 LYS 497 -8.792 -3.936 4.953 499 HG2 LYS 497 HG2 LYS 497 -10.305 -4.141 6.923 500 HG3 LYS 497 HG3 LYS 497 -9.703 -2.580 7.485 501 HD2 LYS 497 HD2 LYS 497 -10.628 -1.441 5.627 502 HD3 LYS 497 HD3 LYS 497 -10.914 -2.946 4.750 503 HE2 LYS 497 HE2 LYS 497 -13.013 -2.193 5.592 504 HE3 LYS 497 HE3 LYS 497 -12.516 -3.600 6.534 505 HZ1 LYS 497 HZ1 LYS 497 -12.298 -0.759 7.378 506 HZ2 LYS 497 HZ2 LYS 497 -11.734 -2.081 8.268 507 HZ3 LYS 497 HZ3 LYS 497 -13.385 -1.904 7.980 508 H VAL 498 H VAL 498 -7.199 -6.614 5.697 509 HA VAL 498 HA VAL 498 -4.626 -5.891 4.457 510 HB VAL 498 HB VAL 498 -5.818 -8.646 4.866 511 HG11 VAL 498 HG11 VAL 498 -3.570 -9.464 4.309 512 HG12 VAL 498 HG12 VAL 498 -3.042 -7.810 3.998 513 HG13 VAL 498 HG13 VAL 498 -4.270 -8.552 2.972 514 HG21 VAL 498 HG21 VAL 498 -3.666 -7.210 6.431 515 HG22 VAL 498 HG22 VAL 498 -4.152 -8.892 6.657 516 HG23 VAL 498 HG23 VAL 498 -5.291 -7.591 7.002 517 H LEU 499 H LEU 499 -4.774 -5.229 2.419 518 HA LEU 499 HA LEU 499 -6.766 -6.430 0.603 519 HB2 LEU 499 HB2 LEU 499 -5.060 -3.954 0.212 520 HB3 LEU 499 HB3 LEU 499 -6.356 -4.496 -0.838 521 HG LEU 499 HG LEU 499 -6.744 -3.596 2.026 522 HD11 LEU 499 HD11 LEU 499 -6.005 -1.746 0.611 523 HD12 LEU 499 HD12 LEU 499 -7.688 -1.554 1.096 524 HD13 LEU 499 HD13 LEU 499 -7.300 -2.099 -0.536 525 HD21 LEU 499 HD21 LEU 499 -8.450 -5.180 1.258 526 HD22 LEU 499 HD22 LEU 499 -8.766 -4.164 -0.151 527 HD23 LEU 499 HD23 LEU 499 -9.121 -3.564 1.472 528 H THR 500 H THR 500 -6.083 -7.828 -0.974 529 HA THR 500 HA THR 500 -3.164 -8.049 -1.419 530 HB THR 500 HB THR 500 -3.638 -10.424 -2.132 531 HG1 THR 500 HG1 THR 500 -5.848 -10.889 -0.779 532 HG21 THR 500 HG21 THR 500 -4.323 -9.719 0.727 533 HG22 THR 500 HG22 THR 500 -2.701 -9.952 0.068 534 HG23 THR 500 HG23 THR 500 -3.825 -11.309 0.145 535 H PHE 501 H PHE 501 -2.370 -8.458 -3.475 536 HA PHE 501 HA PHE 501 -4.216 -8.582 -5.726 537 HB2 PHE 501 HB2 PHE 501 -3.095 -6.780 -6.959 538 HB3 PHE 501 HB3 PHE 501 -3.806 -6.174 -5.469 539 HD1 PHE 501 HD1 PHE 501 -2.356 -5.542 -3.569 540 HD2 PHE 501 HD2 PHE 501 -0.725 -6.722 -7.326 541 HE1 PHE 501 HE1 PHE 501 -0.193 -4.549 -2.943 542 HE2 PHE 501 HE2 PHE 501 1.438 -5.733 -6.702 543 HZ PHE 501 HZ PHE 501 1.706 -4.644 -4.509 544 H SER 502 H SER 502 -3.328 -9.509 -7.598 545 HA SER 502 HA SER 502 -0.711 -10.819 -7.204 546 HB2 SER 502 HB2 SER 502 -1.495 -12.558 -8.765 547 HB3 SER 502 HB3 SER 502 -2.580 -12.403 -7.387 548 HG SER 502 HG SER 502 -3.865 -12.484 -9.172 549 H TRP 503 H TRP 503 0.885 -9.999 -8.347 550 HA TRP 503 HA TRP 503 0.291 -8.490 -10.811 551 HB2 TRP 503 HB2 TRP 503 1.256 -7.101 -9.095 552 HB3 TRP 503 HB3 TRP 503 2.554 -8.255 -8.816 553 HD1 TRP 503 HD1 TRP 503 1.364 -6.533 -12.111 554 HE1 TRP 503 HE1 TRP 503 3.427 -5.462 -13.216 555 HE3 TRP 503 HE3 TRP 503 4.877 -7.701 -8.581 556 HZ2 TRP 503 HZ2 TRP 503 6.175 -5.140 -12.659 557 HZ3 TRP 503 HZ3 TRP 503 7.199 -6.968 -8.942 558 HH2 TRP 503 HH2 TRP 503 7.832 -5.717 -10.939 559 H THR 504 H THR 504 1.228 -9.018 -12.713 560 HA THR 504 HA THR 504 3.164 -11.251 -12.745 561 HB THR 504 HB THR 504 1.370 -10.267 -14.982 562 HG1 THR 504 HG1 THR 504 1.237 -12.501 -13.226 563 HG21 THR 504 HG21 THR 504 3.457 -11.190 -15.862 564 HG22 THR 504 HG22 THR 504 2.114 -12.286 -16.187 565 HG23 THR 504 HG23 THR 504 3.246 -12.641 -14.882 566 HA PRO 505 HA PRO 505 5.904 -7.856 -14.117 567 HB2 PRO 505 HB2 PRO 505 8.222 -9.004 -13.337 568 HB3 PRO 505 HB3 PRO 505 7.146 -8.186 -12.199 569 HG2 PRO 505 HG2 PRO 505 7.441 -11.117 -12.748 570 HG3 PRO 505 HG3 PRO 505 7.289 -10.281 -11.191 571 HD2 PRO 505 HD2 PRO 505 5.202 -11.529 -12.434 572 HD3 PRO 505 HD3 PRO 505 4.997 -10.137 -11.355 573 H THR 506 H THR 506 5.439 -8.272 -16.336 574 HA THR 506 HA THR 506 6.689 -10.489 -17.720 575 HB THR 506 HB THR 506 5.763 -9.376 -19.777 576 HG1 THR 506 HG1 THR 506 4.821 -7.454 -19.624 577 HG21 THR 506 HG21 THR 506 3.404 -9.815 -19.233 578 HG22 THR 506 HG22 THR 506 3.804 -9.829 -17.516 579 HG23 THR 506 HG23 THR 506 4.459 -11.072 -18.583 580 H GLN 507 H GLN 507 8.186 -8.050 -16.426 581 HA GLN 507 HA GLN 507 10.166 -7.787 -18.565 582 HB2 GLN 507 HB2 GLN 507 8.729 -5.827 -18.817 583 HB3 GLN 507 HB3 GLN 507 8.896 -5.449 -17.108 584 HG2 GLN 507 HG2 GLN 507 11.328 -5.092 -17.484 585 HG3 GLN 507 HG3 GLN 507 11.056 -5.331 -19.210 586 HE21 GLN 507 HE21 GLN 507 12.012 -2.994 -17.705 587 HE22 GLN 507 HE22 GLN 507 10.952 -1.700 -18.132 588 H GLU 508 H GLU 508 12.209 -7.977 -17.782 589 HA GLU 508 HA GLU 508 12.603 -8.380 -14.955 590 HB2 GLU 508 HB2 GLU 508 15.039 -8.730 -15.677 591 HB3 GLU 508 HB3 GLU 508 13.839 -9.871 -16.256 592 HG2 GLU 508 HG2 GLU 508 15.337 -9.392 -18.041 593 HG3 GLU 508 HG3 GLU 508 13.784 -8.653 -18.417 594 H GLY 509 H GLY 509 14.037 -7.259 -13.557 595 HA2 GLY 509 HA2 GLY 509 15.772 -5.316 -13.765 596 HA3 GLY 509 HA3 GLY 509 14.351 -4.413 -14.255 597 H MET 510 H MET 510 15.204 -3.122 -12.374 598 HA MET 510 HA MET 510 14.508 -4.136 -9.728 599 HB2 MET 510 HB2 MET 510 16.545 -2.847 -9.894 600 HB3 MET 510 HB3 MET 510 15.706 -1.522 -10.684 601 HG2 MET 510 HG2 MET 510 15.873 -0.669 -8.584 602 HG3 MET 510 HG3 MET 510 14.330 -1.498 -8.427 603 HE1 MET 510 HE1 MET 510 15.284 -4.669 -6.329 604 HE2 MET 510 HE2 MET 510 15.166 -4.600 -8.088 605 HE3 MET 510 HE3 MET 510 13.981 -3.758 -7.089 606 H TYR 511 H TYR 511 12.457 -3.988 -9.025 607 HA TYR 511 HA TYR 511 10.851 -1.642 -9.836 608 HB2 TYR 511 HB2 TYR 511 9.922 -4.461 -9.246 609 HB3 TYR 511 HB3 TYR 511 8.839 -3.094 -9.493 610 HD1 TYR 511 HD1 TYR 511 11.320 -5.287 -11.137 611 HD2 TYR 511 HD2 TYR 511 8.376 -2.262 -11.680 612 HE1 TYR 511 HE1 TYR 511 11.391 -5.657 -13.564 613 HE2 TYR 511 HE2 TYR 511 8.442 -2.623 -14.107 614 HH TYR 511 HH TYR 511 10.046 -5.308 -15.503 615 H ARG 512 H ARG 512 9.720 -0.541 -8.283 616 HA ARG 512 HA ARG 512 10.038 -1.465 -5.494 617 HB2 ARG 512 HB2 ARG 512 11.456 0.516 -6.092 618 HB3 ARG 512 HB3 ARG 512 9.983 1.413 -6.439 619 HG2 ARG 512 HG2 ARG 512 9.276 0.958 -4.060 620 HG3 ARG 512 HG3 ARG 512 10.905 0.338 -3.779 621 HD2 ARG 512 HD2 ARG 512 10.815 2.637 -3.075 622 HD3 ARG 512 HD3 ARG 512 11.808 2.531 -4.531 623 HE ARG 512 HE ARG 512 9.056 3.127 -5.072 624 HH11 ARG 512 HH11 ARG 512 12.090 4.508 -4.207 625 HH12 ARG 512 HH12 ARG 512 11.674 6.070 -4.817 626 HH21 ARG 512 HH21 ARG 512 8.537 5.125 -5.856 627 HH22 ARG 512 HH22 ARG 512 9.680 6.416 -5.748 628 H ILE 513 H ILE 513 8.140 -1.928 -4.582 629 HA ILE 513 HA ILE 513 5.670 -0.784 -5.660 630 HB ILE 513 HB ILE 513 6.078 -2.988 -3.618 631 HG12 ILE 513 HG12 ILE 513 5.297 -3.112 -6.550 632 HG13 ILE 513 HG13 ILE 513 6.845 -3.608 -5.877 633 HG21 ILE 513 HG21 ILE 513 3.546 -2.048 -4.979 634 HG22 ILE 513 HG22 ILE 513 3.948 -1.842 -3.275 635 HG23 ILE 513 HG23 ILE 513 3.684 -3.458 -3.928 636 HD11 ILE 513 HD11 ILE 513 5.444 -5.524 -6.348 637 HD12 ILE 513 HD12 ILE 513 4.180 -4.881 -5.301 638 HD13 ILE 513 HD13 ILE 513 5.727 -5.375 -4.613 639 H ASN 514 H ASN 514 4.800 0.950 -4.736 640 HA ASN 514 HA ASN 514 5.269 1.461 -1.862 641 HB2 ASN 514 HB2 ASN 514 4.823 3.495 -4.067 642 HB3 ASN 514 HB3 ASN 514 5.024 3.867 -2.358 643 HD21 ASN 514 HD21 ASN 514 7.066 3.592 -1.407 644 HD22 ASN 514 HD22 ASN 514 8.494 3.526 -2.368 645 H ALA 515 H ALA 515 3.499 1.649 -0.585 646 HA ALA 515 HA ALA 515 0.868 1.934 -1.908 647 HB1 ALA 515 HB1 ALA 515 1.093 -0.173 -0.682 648 HB2 ALA 515 HB2 ALA 515 -0.138 0.869 0.041 649 HB3 ALA 515 HB3 ALA 515 1.454 0.721 0.796 650 H THR 516 H THR 516 -0.471 3.548 -1.329 651 HA THR 516 HA THR 516 0.431 5.418 0.780 652 HB THR 516 HB THR 516 -0.617 7.242 -0.610 653 HG1 THR 516 HG1 THR 516 -0.945 6.706 -2.849 654 HG21 THR 516 HG21 THR 516 1.230 7.425 -2.211 655 HG22 THR 516 HG22 THR 516 1.629 5.725 -1.960 656 HG23 THR 516 HG23 THR 516 1.819 6.880 -0.641 657 H VAL 517 H VAL 517 -1.111 6.221 2.162 658 HA VAL 517 HA VAL 517 -3.851 5.155 1.844 659 HB VAL 517 HB VAL 517 -2.604 4.165 3.727 660 HG11 VAL 517 HG11 VAL 517 -2.040 5.496 5.695 661 HG12 VAL 517 HG12 VAL 517 -2.547 6.962 4.853 662 HG13 VAL 517 HG13 VAL 517 -1.156 6.046 4.270 663 HG21 VAL 517 HG21 VAL 517 -5.031 4.321 3.849 664 HG22 VAL 517 HG22 VAL 517 -4.904 5.919 4.588 665 HG23 VAL 517 HG23 VAL 517 -4.309 4.498 5.448 666 H ASP 518 H ASP 518 -5.610 6.488 2.293 667 HA ASP 518 HA ASP 518 -6.743 8.399 1.814 668 HB2 ASP 518 HB2 ASP 518 -6.308 8.636 4.278 669 HB3 ASP 518 HB3 ASP 518 -4.915 9.642 3.885 670 H GLU 519 H GLU 519 -5.345 8.088 -0.210 671 HA GLU 519 HA GLU 519 -3.139 9.633 -0.841 672 HB2 GLU 519 HB2 GLU 519 -5.028 7.963 -2.235 673 HB3 GLU 519 HB3 GLU 519 -4.637 9.366 -3.217 674 HG2 GLU 519 HG2 GLU 519 -2.585 7.544 -1.984 675 HG3 GLU 519 HG3 GLU 519 -3.202 7.387 -3.626 676 H GLU 520 H GLU 520 -6.523 10.569 -0.901 677 HA GLU 520 HA GLU 520 -6.072 12.978 -2.411 678 HB2 GLU 520 HB2 GLU 520 -8.462 12.243 -0.702 679 HB3 GLU 520 HB3 GLU 520 -8.410 13.453 -1.979 680 HG2 GLU 520 HG2 GLU 520 -8.052 10.481 -2.364 681 HG3 GLU 520 HG3 GLU 520 -9.527 11.388 -2.687 682 H ASN 521 H ASN 521 -5.528 12.108 0.814 683 HA ASN 521 HA ASN 521 -5.062 13.193 2.739 684 HB2 ASN 521 HB2 ASN 521 -3.267 14.114 1.287 685 HB3 ASN 521 HB3 ASN 521 -4.307 15.482 0.903 686 HD21 ASN 521 HD21 ASN 521 -2.580 13.862 3.489 687 HD22 ASN 521 HD22 ASN 521 -2.440 15.250 4.507 688 H THR 522 H THR 522 -7.391 13.100 3.087 689 HA THR 522 HA THR 522 -8.832 15.652 2.791 690 HB THR 522 HB THR 522 -10.879 14.351 3.216 691 HG1 THR 522 HG1 THR 522 -9.112 12.092 3.356 692 HG21 THR 522 HG21 THR 522 -10.855 12.973 1.172 693 HG22 THR 522 HG22 THR 522 -9.099 13.116 1.104 694 HG23 THR 522 HG23 THR 522 -10.110 14.549 0.905 695 H VAL 523 H VAL 523 -7.123 13.979 5.136 696 HA VAL 523 HA VAL 523 -8.433 15.526 7.264 697 HB VAL 523 HB VAL 523 -9.386 13.257 7.368 698 HG11 VAL 523 HG11 VAL 523 -7.541 11.983 6.424 699 HG12 VAL 523 HG12 VAL 523 -7.989 11.340 8.004 700 HG13 VAL 523 HG13 VAL 523 -6.545 12.339 7.836 701 HG21 VAL 523 HG21 VAL 523 -8.936 12.833 9.746 702 HG22 VAL 523 HG22 VAL 523 -9.173 14.550 9.418 703 HG23 VAL 523 HG23 VAL 523 -7.545 13.916 9.672 704 H VAL 524 H VAL 524 -7.079 16.314 8.836 705 HA VAL 524 HA VAL 524 -4.211 16.099 8.411 706 HB VAL 524 HB VAL 524 -5.756 17.622 10.532 707 HG11 VAL 524 HG11 VAL 524 -3.478 17.159 11.263 708 HG12 VAL 524 HG12 VAL 524 -3.653 18.869 10.871 709 HG13 VAL 524 HG13 VAL 524 -2.840 17.785 9.742 710 HG21 VAL 524 HG21 VAL 524 -6.259 18.424 8.281 711 HG22 VAL 524 HG22 VAL 524 -4.537 18.578 7.932 712 HG23 VAL 524 HG23 VAL 524 -5.285 19.606 9.154 713 H GLU 525 H GLU 525 -2.965 14.587 9.376 714 HA GLU 525 HA GLU 525 -4.121 13.120 11.659 715 HB2 GLU 525 HB2 GLU 525 -2.118 12.129 9.629 716 HB3 GLU 525 HB3 GLU 525 -2.893 11.177 10.889 717 HG2 GLU 525 HG2 GLU 525 -5.105 11.896 9.746 718 HG3 GLU 525 HG3 GLU 525 -4.073 12.295 8.373 719 H LEU 526 H LEU 526 -2.330 11.827 12.875 720 HA LEU 526 HA LEU 526 -0.855 13.731 14.353 721 HB2 LEU 526 HB2 LEU 526 -0.718 10.714 14.310 722 HB3 LEU 526 HB3 LEU 526 0.116 11.713 15.489 723 HG LEU 526 HG LEU 526 -2.891 11.670 15.130 724 HD11 LEU 526 HD11 LEU 526 -2.947 10.368 17.204 725 HD12 LEU 526 HD12 LEU 526 -1.184 10.283 17.202 726 HD13 LEU 526 HD13 LEU 526 -2.108 9.500 15.919 727 HD21 LEU 526 HD21 LEU 526 -1.157 12.847 17.310 728 HD22 LEU 526 HD22 LEU 526 -2.921 12.860 17.259 729 HD23 LEU 526 HD23 LEU 526 -1.997 13.762 16.057 730 H ASN 527 H ASN 527 0.178 11.385 11.883 731 HA ASN 527 HA ASN 527 2.627 12.952 11.532 732 HB2 ASN 527 HB2 ASN 527 3.254 11.153 13.091 733 HB3 ASN 527 HB3 ASN 527 2.649 9.950 11.956 734 HD21 ASN 527 HD21 ASN 527 4.644 8.957 11.762 735 HD22 ASN 527 HD22 ASN 527 5.968 9.681 10.920 736 H GLU 528 H GLU 528 2.443 13.573 9.467 737 HA GLU 528 HA GLU 528 1.134 11.902 7.494 738 HB2 GLU 528 HB2 GLU 528 1.472 13.817 5.976 739 HB3 GLU 528 HB3 GLU 528 0.698 14.291 7.480 740 HG2 GLU 528 HG2 GLU 528 2.874 15.115 8.311 741 HG3 GLU 528 HG3 GLU 528 3.598 14.699 6.758 742 H ASN 529 H ASN 529 3.843 11.165 8.675 743 HA ASN 529 HA ASN 529 5.399 11.022 6.173 744 HB2 ASN 529 HB2 ASN 529 6.294 10.771 9.051 745 HB3 ASN 529 HB3 ASN 529 7.340 10.450 7.669 746 HD21 ASN 529 HD21 ASN 529 5.700 12.891 9.508 747 HD22 ASN 529 HD22 ASN 529 6.483 14.244 8.776 748 H ASN 530 H ASN 530 3.620 9.048 8.403 749 HA ASN 530 HA ASN 530 4.902 6.604 7.373 750 HB2 ASN 530 HB2 ASN 530 3.515 5.432 9.128 751 HB3 ASN 530 HB3 ASN 530 4.729 6.547 9.740 752 HD21 ASN 530 HD21 ASN 530 1.296 6.104 9.176 753 HD22 ASN 530 HD22 ASN 530 0.777 7.294 10.313 754 H ASN 531 H ASN 531 2.692 8.451 6.099 755 HA ASN 531 HA ASN 531 0.490 6.649 5.677 756 HB2 ASN 531 HB2 ASN 531 1.253 9.207 4.245 757 HB3 ASN 531 HB3 ASN 531 -0.266 8.345 4.027 758 HD21 ASN 531 HD21 ASN 531 -1.829 8.479 5.596 759 HD22 ASN 531 HD22 ASN 531 -1.740 9.567 6.930 760 H VAL 532 H VAL 532 3.586 6.599 4.461 761 HA VAL 532 HA VAL 532 2.729 5.205 1.997 762 HB VAL 532 HB VAL 532 5.222 6.912 2.240 763 HG11 VAL 532 HG11 VAL 532 3.997 5.510 -0.145 764 HG12 VAL 532 HG12 VAL 532 5.503 5.079 0.668 765 HG13 VAL 532 HG13 VAL 532 5.378 6.605 -0.207 766 HG21 VAL 532 HG21 VAL 532 4.085 8.485 0.711 767 HG22 VAL 532 HG22 VAL 532 3.259 8.344 2.263 768 HG23 VAL 532 HG23 VAL 532 2.611 7.526 0.842 769 H ALA 533 H ALA 533 3.563 3.210 1.710 770 HA ALA 533 HA ALA 533 5.853 2.379 3.392 771 HB1 ALA 533 HB1 ALA 533 3.657 0.650 2.243 772 HB2 ALA 533 HB2 ALA 533 3.787 1.176 3.920 773 HB3 ALA 533 HB3 ALA 533 5.001 0.091 3.241 774 H THR 534 H THR 534 7.575 1.308 2.450 775 HA THR 534 HA THR 534 7.590 1.182 -0.508 776 HB THR 534 HB THR 534 9.813 2.090 1.336 777 HG1 THR 534 HG1 THR 534 9.626 4.003 0.022 778 HG21 THR 534 HG21 THR 534 9.919 1.599 -1.646 779 HG22 THR 534 HG22 THR 534 10.783 0.685 -0.409 780 HG23 THR 534 HG23 THR 534 11.182 2.378 -0.694 781 H PHE 535 H PHE 535 7.886 -0.803 -1.274 782 HA PHE 535 HA PHE 535 9.857 -2.577 0.015 783 HB2 PHE 535 HB2 PHE 535 7.604 -3.332 0.715 784 HB3 PHE 535 HB3 PHE 535 7.118 -3.452 -0.970 785 HD1 PHE 535 HD1 PHE 535 9.267 -4.915 1.649 786 HD2 PHE 535 HD2 PHE 535 7.708 -5.361 -2.291 787 HE1 PHE 535 HE1 PHE 535 10.032 -7.252 1.613 788 HE2 PHE 535 HE2 PHE 535 8.467 -7.702 -2.326 789 HZ PHE 535 HZ PHE 535 9.629 -8.650 -0.376 790 H ASP 536 H ASP 536 11.407 -3.022 -1.490 791 HA ASP 536 HA ASP 536 10.681 -2.744 -4.320 792 HB2 ASP 536 HB2 ASP 536 13.215 -2.742 -4.660 793 HB3 ASP 536 HB3 ASP 536 12.504 -1.352 -3.850 794 H VAL 537 H VAL 537 10.864 -4.297 -5.797 795 HA VAL 537 HA VAL 537 11.540 -7.022 -4.889 796 HB VAL 537 HB VAL 537 9.497 -6.221 -6.981 797 HG11 VAL 537 HG11 VAL 537 10.128 -8.923 -5.785 798 HG12 VAL 537 HG12 VAL 537 10.484 -8.402 -7.431 799 HG13 VAL 537 HG13 VAL 537 8.810 -8.578 -6.904 800 HG21 VAL 537 HG21 VAL 537 9.062 -7.217 -4.157 801 HG22 VAL 537 HG22 VAL 537 7.802 -6.913 -5.353 802 HG23 VAL 537 HG23 VAL 537 8.770 -5.576 -4.734 803 H SER 538 H SER 538 12.778 -8.303 -6.203 804 HA SER 538 HA SER 538 13.987 -7.040 -8.578 805 HB2 SER 538 HB2 SER 538 15.563 -7.765 -6.809 806 HB3 SER 538 HB3 SER 538 14.964 -9.416 -6.958 807 HG SER 538 HG SER 538 16.923 -8.368 -8.288 808 H VAL 539 H VAL 539 13.393 -7.747 -10.547 809 HA VAL 539 HA VAL 539 12.010 -10.346 -10.772 810 HB VAL 539 HB VAL 539 12.070 -8.059 -12.760 811 HG11 VAL 539 HG11 VAL 539 10.392 -10.575 -12.705 812 HG12 VAL 539 HG12 VAL 539 11.704 -10.225 -13.832 813 HG13 VAL 539 HG13 VAL 539 10.231 -9.255 -13.866 814 HG21 VAL 539 HG21 VAL 539 10.898 -7.415 -10.724 815 HG22 VAL 539 HG22 VAL 539 9.920 -8.880 -10.801 816 HG23 VAL 539 HG23 VAL 539 9.749 -7.640 -12.043 817 H VAL 540 H VAL 540 13.076 -12.017 -11.610 818 HA VAL 540 HA VAL 540 15.460 -11.507 -13.288 819 HB VAL 540 HB VAL 540 16.339 -13.672 -12.497 820 HG11 VAL 540 HG11 VAL 540 17.031 -11.654 -11.341 821 HG12 VAL 540 HG12 VAL 540 16.863 -12.975 -10.184 822 HG13 VAL 540 HG13 VAL 540 15.615 -11.734 -10.293 823 HG21 VAL 540 HG21 VAL 540 15.277 -14.812 -10.589 824 HG22 VAL 540 HG22 VAL 540 14.234 -14.805 -12.011 825 HG23 VAL 540 HG23 VAL 540 13.920 -13.689 -10.681 826 H LEU 541 H LEU 541 15.983 -13.118 -14.915 827 HA LEU 541 HA LEU 541 13.655 -13.981 -16.403 828 HB2 LEU 541 HB2 LEU 541 16.607 -14.268 -16.990 829 HB3 LEU 541 HB3 LEU 541 15.318 -14.655 -18.115 830 HG LEU 541 HG LEU 541 15.869 -11.896 -17.003 831 HD11 LEU 541 HD11 LEU 541 16.476 -13.048 -19.730 832 HD12 LEU 541 HD12 LEU 541 17.660 -12.629 -18.491 833 HD13 LEU 541 HD13 LEU 541 16.691 -11.366 -19.247 834 HD21 LEU 541 HD21 LEU 541 13.513 -12.262 -17.567 835 HD22 LEU 541 HD22 LEU 541 13.980 -12.808 -19.178 836 HD23 LEU 541 HD23 LEU 541 14.274 -11.139 -18.691 837 H GLU 542 H GLU 542 15.158 -15.396 -13.886 838 HA GLU 542 HA GLU 542 14.914 -18.136 -14.968 839 HB2 GLU 542 HB2 GLU 542 16.717 -18.677 -13.190 840 HB3 GLU 542 HB3 GLU 542 17.213 -17.885 -14.678 841 HG2 GLU 542 HG2 GLU 542 17.273 -15.733 -13.549 842 HG3 GLU 542 HG3 GLU 542 16.699 -16.482 -12.060 Start of MODEL 20 1 H1 MET 435 H1 MET 435 -8.432 18.359 19.498 2 H2 MET 435 H2 MET 435 -9.449 17.533 20.570 3 H3 MET 435 H3 MET 435 -9.954 18.995 19.884 4 HA MET 435 HA MET 435 -11.033 17.101 18.843 5 HB2 MET 435 HB2 MET 435 -10.641 19.159 17.551 6 HB3 MET 435 HB3 MET 435 -9.062 18.561 17.058 7 HG2 MET 435 HG2 MET 435 -10.125 16.736 15.837 8 HG3 MET 435 HG3 MET 435 -11.711 17.312 16.352 9 HE1 MET 435 HE1 MET 435 -11.632 18.201 12.520 10 HE2 MET 435 HE2 MET 435 -12.533 17.385 13.798 11 HE3 MET 435 HE3 MET 435 -10.951 16.777 13.308 12 H GLU 436 H GLU 436 -10.920 15.065 17.887 13 HA GLU 436 HA GLU 436 -8.400 13.653 18.227 14 HB2 GLU 436 HB2 GLU 436 -11.134 12.664 17.368 15 HB3 GLU 436 HB3 GLU 436 -9.731 11.632 17.599 16 HG2 GLU 436 HG2 GLU 436 -11.146 11.473 19.521 17 HG3 GLU 436 HG3 GLU 436 -9.661 12.306 19.973 18 H PHE 437 H PHE 437 -6.980 13.314 16.643 19 HA PHE 437 HA PHE 437 -7.898 13.503 13.843 20 HB2 PHE 437 HB2 PHE 437 -5.172 14.111 15.018 21 HB3 PHE 437 HB3 PHE 437 -5.538 14.117 13.295 22 HD1 PHE 437 HD1 PHE 437 -7.198 15.775 12.403 23 HD2 PHE 437 HD2 PHE 437 -5.677 15.983 16.379 24 HE1 PHE 437 HE1 PHE 437 -7.924 18.120 12.555 25 HE2 PHE 437 HE2 PHE 437 -6.404 18.329 16.534 26 HZ PHE 437 HZ PHE 437 -7.527 19.399 14.622 27 HA PRO 438 HA PRO 438 -6.715 9.259 13.388 28 HB2 PRO 438 HB2 PRO 438 -6.421 9.631 10.521 29 HB3 PRO 438 HB3 PRO 438 -7.700 8.804 11.410 30 HG2 PRO 438 HG2 PRO 438 -8.071 11.150 10.076 31 HG3 PRO 438 HG3 PRO 438 -9.029 10.663 11.483 32 HD2 PRO 438 HD2 PRO 438 -6.726 12.575 11.323 33 HD3 PRO 438 HD3 PRO 438 -8.230 12.690 12.266 34 H ASP 439 H ASP 439 -5.109 7.870 12.226 35 HA ASP 439 HA ASP 439 -2.664 9.087 11.300 36 HB2 ASP 439 HB2 ASP 439 -2.528 9.004 13.855 37 HB3 ASP 439 HB3 ASP 439 -2.506 7.252 13.706 38 H LEU 440 H LEU 440 -3.326 7.987 9.409 39 HA LEU 440 HA LEU 440 -3.804 5.118 9.485 40 HB2 LEU 440 HB2 LEU 440 -3.795 7.024 7.136 41 HB3 LEU 440 HB3 LEU 440 -4.387 5.372 7.124 42 HG LEU 440 HG LEU 440 -5.588 7.633 8.741 43 HD11 LEU 440 HD11 LEU 440 -5.927 7.954 6.345 44 HD12 LEU 440 HD12 LEU 440 -7.438 7.541 7.153 45 HD13 LEU 440 HD13 LEU 440 -6.581 6.321 6.209 46 HD21 LEU 440 HD21 LEU 440 -7.419 6.085 9.178 47 HD22 LEU 440 HD22 LEU 440 -5.896 5.430 9.782 48 HD23 LEU 440 HD23 LEU 440 -6.587 4.817 8.278 49 H THR 441 H THR 441 -2.337 3.590 9.010 50 HA THR 441 HA THR 441 0.036 4.352 7.430 51 HB THR 441 HB THR 441 0.719 4.218 9.780 52 HG1 THR 441 HG1 THR 441 2.396 3.613 8.583 53 HG21 THR 441 HG21 THR 441 -0.958 2.605 10.574 54 HG22 THR 441 HG22 THR 441 0.680 2.097 10.988 55 HG23 THR 441 HG23 THR 441 -0.167 1.330 9.645 56 H VAL 442 H VAL 442 1.118 2.587 6.352 57 HA VAL 442 HA VAL 442 -0.592 0.245 5.835 58 HB VAL 442 HB VAL 442 -0.133 0.438 3.407 59 HG11 VAL 442 HG11 VAL 442 -1.704 2.220 2.929 60 HG12 VAL 442 HG12 VAL 442 -1.431 2.931 4.519 61 HG13 VAL 442 HG13 VAL 442 -2.217 1.361 4.382 62 HG21 VAL 442 HG21 VAL 442 1.074 3.111 4.143 63 HG22 VAL 442 HG22 VAL 442 0.744 2.556 2.500 64 HG23 VAL 442 HG23 VAL 442 1.935 1.718 3.493 65 H GLU 443 H GLU 443 0.487 -1.644 5.206 66 HA GLU 443 HA GLU 443 3.442 -1.586 5.198 67 HB2 GLU 443 HB2 GLU 443 1.731 -3.607 6.668 68 HB3 GLU 443 HB3 GLU 443 3.481 -3.624 6.575 69 HG2 GLU 443 HG2 GLU 443 3.565 -1.507 7.811 70 HG3 GLU 443 HG3 GLU 443 1.804 -1.499 7.908 71 H ILE 444 H ILE 444 4.436 -2.979 3.757 72 HA ILE 444 HA ILE 444 2.638 -4.541 2.002 73 HB ILE 444 HB ILE 444 5.404 -3.481 1.351 74 HG12 ILE 444 HG12 ILE 444 2.685 -2.482 0.438 75 HG13 ILE 444 HG13 ILE 444 3.720 -1.676 1.613 76 HG21 ILE 444 HG21 ILE 444 4.857 -4.118 -0.961 77 HG22 ILE 444 HG22 ILE 444 3.328 -4.803 -0.408 78 HG23 ILE 444 HG23 ILE 444 4.855 -5.514 0.116 79 HD11 ILE 444 HD11 ILE 444 3.891 -0.622 -0.559 80 HD12 ILE 444 HD12 ILE 444 4.371 -2.153 -1.288 81 HD13 ILE 444 HD13 ILE 444 5.427 -1.367 -0.115 82 H LYS 445 H LYS 445 2.847 -6.700 1.919 83 HA LYS 445 HA LYS 445 5.347 -7.963 2.872 84 HB2 LYS 445 HB2 LYS 445 3.670 -8.098 4.645 85 HB3 LYS 445 HB3 LYS 445 2.501 -8.778 3.526 86 HG2 LYS 445 HG2 LYS 445 3.392 -10.507 4.953 87 HG3 LYS 445 HG3 LYS 445 3.903 -10.781 3.287 88 HD2 LYS 445 HD2 LYS 445 6.107 -9.968 3.757 89 HD3 LYS 445 HD3 LYS 445 5.620 -9.400 5.355 90 HE2 LYS 445 HE2 LYS 445 6.890 -11.498 5.486 91 HE3 LYS 445 HE3 LYS 445 5.241 -11.700 6.077 92 HZ1 LYS 445 HZ1 LYS 445 4.650 -12.655 3.913 93 HZ2 LYS 445 HZ2 LYS 445 5.864 -13.543 4.688 94 HZ3 LYS 445 HZ3 LYS 445 6.260 -12.512 3.408 95 H GLY 446 H GLY 446 6.161 -9.504 1.510 96 HA2 GLY 446 HA2 GLY 446 4.777 -11.432 0.100 97 HA3 GLY 446 HA3 GLY 446 4.823 -10.046 -0.976 98 HA PRO 447 HA PRO 447 8.683 -12.595 -1.630 99 HB2 PRO 447 HB2 PRO 447 8.428 -12.943 -4.300 100 HB3 PRO 447 HB3 PRO 447 7.602 -13.981 -3.130 101 HG2 PRO 447 HG2 PRO 447 6.526 -11.644 -4.677 102 HG3 PRO 447 HG3 PRO 447 5.784 -13.230 -4.389 103 HD2 PRO 447 HD2 PRO 447 5.134 -11.009 -2.954 104 HD3 PRO 447 HD3 PRO 447 5.061 -12.649 -2.277 105 H ASP 448 H ASP 448 10.472 -11.386 -1.656 106 HA ASP 448 HA ASP 448 10.626 -8.788 -2.811 107 HB2 ASP 448 HB2 ASP 448 12.865 -10.578 -1.827 108 HB3 ASP 448 HB3 ASP 448 12.971 -8.840 -2.100 109 H VAL 449 H VAL 449 11.605 -11.985 -3.901 110 HA VAL 449 HA VAL 449 12.510 -10.801 -6.459 111 HB VAL 449 HB VAL 449 13.493 -13.380 -5.206 112 HG11 VAL 449 HG11 VAL 449 14.370 -11.953 -7.725 113 HG12 VAL 449 HG12 VAL 449 13.500 -13.485 -7.642 114 HG13 VAL 449 HG13 VAL 449 15.150 -13.374 -7.029 115 HG21 VAL 449 HG21 VAL 449 14.337 -11.449 -3.982 116 HG22 VAL 449 HG22 VAL 449 14.876 -10.705 -5.489 117 HG23 VAL 449 HG23 VAL 449 15.635 -12.191 -4.918 118 H VAL 450 H VAL 450 11.517 -11.493 -8.279 119 HA VAL 450 HA VAL 450 9.867 -13.938 -8.175 120 HB VAL 450 HB VAL 450 8.091 -12.842 -9.479 121 HG11 VAL 450 HG11 VAL 450 7.850 -12.948 -7.057 122 HG12 VAL 450 HG12 VAL 450 7.147 -11.455 -7.679 123 HG13 VAL 450 HG13 VAL 450 8.722 -11.424 -6.884 124 HG21 VAL 450 HG21 VAL 450 9.654 -10.292 -9.023 125 HG22 VAL 450 HG22 VAL 450 8.046 -10.403 -9.741 126 HG23 VAL 450 HG23 VAL 450 9.432 -11.110 -10.570 127 H GLY 451 H GLY 451 9.249 -14.744 -10.357 128 HA2 GLY 451 HA2 GLY 451 11.534 -14.504 -12.183 129 HA3 GLY 451 HA3 GLY 451 10.322 -15.776 -12.198 130 H VAL 452 H VAL 452 11.336 -14.083 -14.394 131 HA VAL 452 HA VAL 452 9.447 -12.133 -15.138 132 HB VAL 452 HB VAL 452 11.714 -12.371 -16.137 133 HG11 VAL 452 HG11 VAL 452 12.070 -13.951 -17.980 134 HG12 VAL 452 HG12 VAL 452 10.497 -14.679 -17.658 135 HG13 VAL 452 HG13 VAL 452 11.780 -14.780 -16.451 136 HG21 VAL 452 HG21 VAL 452 10.067 -10.949 -17.211 137 HG22 VAL 452 HG22 VAL 452 9.430 -12.326 -18.112 138 HG23 VAL 452 HG23 VAL 452 11.066 -11.746 -18.425 139 H ASN 453 H ASN 453 7.568 -12.194 -16.284 140 HA ASN 453 HA ASN 453 5.601 -12.960 -17.102 141 HB2 ASN 453 HB2 ASN 453 7.409 -15.143 -18.149 142 HB3 ASN 453 HB3 ASN 453 5.688 -15.070 -18.530 143 HD21 ASN 453 HD21 ASN 453 8.796 -13.695 -19.105 144 HD22 ASN 453 HD22 ASN 453 8.315 -12.623 -20.372 145 H LYS 454 H LYS 454 6.529 -13.828 -14.370 146 HA LYS 454 HA LYS 454 4.699 -16.127 -14.051 147 HB2 LYS 454 HB2 LYS 454 6.972 -15.186 -12.294 148 HB3 LYS 454 HB3 LYS 454 5.826 -16.431 -11.817 149 HG2 LYS 454 HG2 LYS 454 7.709 -16.556 -14.173 150 HG3 LYS 454 HG3 LYS 454 7.890 -17.418 -12.645 151 HD2 LYS 454 HD2 LYS 454 5.616 -17.777 -14.610 152 HD3 LYS 454 HD3 LYS 454 6.987 -18.869 -14.416 153 HE2 LYS 454 HE2 LYS 454 6.302 -19.328 -12.110 154 HE3 LYS 454 HE3 LYS 454 4.941 -18.220 -12.285 155 HZ1 LYS 454 HZ1 LYS 454 4.010 -19.651 -13.968 156 HZ2 LYS 454 HZ2 LYS 454 4.299 -20.551 -12.567 157 HZ3 LYS 454 HZ3 LYS 454 5.342 -20.688 -13.891 158 H LEU 455 H LEU 455 3.403 -16.155 -12.027 159 HA LEU 455 HA LEU 455 2.166 -13.538 -11.637 160 HB2 LEU 455 HB2 LEU 455 0.775 -15.523 -12.141 161 HB3 LEU 455 HB3 LEU 455 1.313 -16.265 -10.646 162 HG LEU 455 HG LEU 455 0.243 -14.415 -9.375 163 HD11 LEU 455 HD11 LEU 455 -1.351 -12.944 -10.538 164 HD12 LEU 455 HD12 LEU 455 -0.784 -13.573 -12.086 165 HD13 LEU 455 HD13 LEU 455 0.315 -12.665 -11.045 166 HD21 LEU 455 HD21 LEU 455 -1.587 -15.927 -11.244 167 HD22 LEU 455 HD22 LEU 455 -2.072 -15.148 -9.738 168 HD23 LEU 455 HD23 LEU 455 -0.952 -16.508 -9.705 169 H ALA 456 H ALA 456 2.464 -12.300 -9.884 170 HA ALA 456 HA ALA 456 3.545 -13.532 -7.419 171 HB1 ALA 456 HB1 ALA 456 5.200 -12.095 -8.528 172 HB2 ALA 456 HB2 ALA 456 4.714 -11.444 -6.963 173 HB3 ALA 456 HB3 ALA 456 4.075 -10.739 -8.448 174 H GLU 457 H GLU 457 2.621 -12.956 -5.469 175 HA GLU 457 HA GLU 457 0.354 -11.056 -5.545 176 HB2 GLU 457 HB2 GLU 457 0.570 -13.768 -4.291 177 HB3 GLU 457 HB3 GLU 457 -0.443 -12.557 -3.518 178 HG2 GLU 457 HG2 GLU 457 -1.818 -12.360 -5.457 179 HG3 GLU 457 HG3 GLU 457 -0.733 -13.388 -6.399 180 H TYR 458 H TYR 458 0.098 -9.654 -3.833 181 HA TYR 458 HA TYR 458 2.103 -9.754 -1.675 182 HB2 TYR 458 HB2 TYR 458 1.340 -7.297 -3.280 183 HB3 TYR 458 HB3 TYR 458 2.298 -7.261 -1.802 184 HD1 TYR 458 HD1 TYR 458 2.286 -8.228 -5.361 185 HD2 TYR 458 HD2 TYR 458 4.608 -7.991 -1.794 186 HE1 TYR 458 HE1 TYR 458 4.331 -8.621 -6.670 187 HE2 TYR 458 HE2 TYR 458 6.654 -8.382 -3.097 188 HH TYR 458 HH TYR 458 7.389 -9.256 -5.165 189 H GLU 459 H GLU 459 1.518 -8.554 0.243 190 HA GLU 459 HA GLU 459 -1.404 -8.403 0.663 191 HB2 GLU 459 HB2 GLU 459 0.754 -9.366 2.564 192 HB3 GLU 459 HB3 GLU 459 -0.934 -9.149 3.004 193 HG2 GLU 459 HG2 GLU 459 -1.615 -10.904 1.518 194 HG3 GLU 459 HG3 GLU 459 0.010 -11.033 0.848 195 H VAL 460 H VAL 460 -2.139 -6.516 1.419 196 HA VAL 460 HA VAL 460 -0.206 -4.530 2.419 197 HB VAL 460 HB VAL 460 -2.936 -3.989 1.225 198 HG11 VAL 460 HG11 VAL 460 -2.183 -2.241 2.742 199 HG12 VAL 460 HG12 VAL 460 -2.134 -1.664 1.076 200 HG13 VAL 460 HG13 VAL 460 -0.641 -2.137 1.890 201 HG21 VAL 460 HG21 VAL 460 -1.465 -4.958 -0.467 202 HG22 VAL 460 HG22 VAL 460 -0.218 -3.770 -0.084 203 HG23 VAL 460 HG23 VAL 460 -1.750 -3.249 -0.791 204 H HIS 461 H HIS 461 -0.265 -4.289 4.562 205 HA HIS 461 HA HIS 461 -2.753 -4.695 6.057 206 HB2 HIS 461 HB2 HIS 461 0.122 -4.316 6.880 207 HB3 HIS 461 HB3 HIS 461 -1.184 -4.228 8.050 208 HD1 HIS 461 HD1 HIS 461 -1.792 -6.377 9.113 209 HD2 HIS 461 HD2 HIS 461 0.129 -6.943 5.470 210 HE1 HIS 461 HE1 HIS 461 -1.484 -8.853 8.896 211 HE2 HIS 461 HE2 HIS 461 -0.182 -9.159 6.768 212 H VAL 462 H VAL 462 -4.091 -2.999 6.255 213 HA VAL 462 HA VAL 462 -2.912 -0.296 6.497 214 HB VAL 462 HB VAL 462 -4.912 0.636 5.489 215 HG11 VAL 462 HG11 VAL 462 -3.119 -0.118 3.990 216 HG12 VAL 462 HG12 VAL 462 -4.699 -0.247 3.224 217 HG13 VAL 462 HG13 VAL 462 -3.901 -1.690 3.848 218 HG21 VAL 462 HG21 VAL 462 -6.595 -0.922 6.324 219 HG22 VAL 462 HG22 VAL 462 -5.942 -2.204 5.306 220 HG23 VAL 462 HG23 VAL 462 -6.703 -0.793 4.569 221 H LYS 463 H LYS 463 -3.203 0.690 8.432 222 HA LYS 463 HA LYS 463 -5.547 -0.034 10.043 223 HB2 LYS 463 HB2 LYS 463 -4.101 -0.226 12.086 224 HB3 LYS 463 HB3 LYS 463 -3.953 -1.536 10.928 225 HG2 LYS 463 HG2 LYS 463 -1.792 -1.060 10.450 226 HG3 LYS 463 HG3 LYS 463 -2.023 0.681 10.622 227 HD2 LYS 463 HD2 LYS 463 -0.547 -0.273 12.368 228 HD3 LYS 463 HD3 LYS 463 -1.988 0.499 13.027 229 HE2 LYS 463 HE2 LYS 463 -1.575 -1.570 14.204 230 HE3 LYS 463 HE3 LYS 463 -3.048 -1.725 13.248 231 HZ1 LYS 463 HZ1 LYS 463 -1.758 -2.902 11.565 232 HZ2 LYS 463 HZ2 LYS 463 -1.698 -3.692 13.056 233 HZ3 LYS 463 HZ3 LYS 463 -0.375 -2.787 12.527 234 H ASN 464 H ASN 464 -6.093 1.377 11.723 235 HA ASN 464 HA ASN 464 -5.181 4.152 11.325 236 HB2 ASN 464 HB2 ASN 464 -7.600 3.581 11.034 237 HB3 ASN 464 HB3 ASN 464 -7.658 3.090 12.720 238 HD21 ASN 464 HD21 ASN 464 -9.192 5.105 11.381 239 HD22 ASN 464 HD22 ASN 464 -8.876 6.595 12.193 240 H LEU 465 H LEU 465 -4.016 5.153 12.909 241 HA LEU 465 HA LEU 465 -3.847 3.835 15.555 242 HB2 LEU 465 HB2 LEU 465 -1.775 5.483 14.097 243 HB3 LEU 465 HB3 LEU 465 -1.579 4.822 15.711 244 HG LEU 465 HG LEU 465 -1.975 3.157 13.214 245 HD11 LEU 465 HD11 LEU 465 0.164 4.320 13.144 246 HD12 LEU 465 HD12 LEU 465 0.397 2.595 13.431 247 HD13 LEU 465 HD13 LEU 465 0.549 3.739 14.765 248 HD21 LEU 465 HD21 LEU 465 -1.305 1.286 14.656 249 HD22 LEU 465 HD22 LEU 465 -2.786 2.052 15.227 250 HD23 LEU 465 HD23 LEU 465 -1.256 2.373 16.044 251 H GLY 466 H GLY 466 -5.326 6.369 14.208 252 HA2 GLY 466 HA2 GLY 466 -4.607 8.442 16.116 253 HA3 GLY 466 HA3 GLY 466 -5.810 8.563 14.846 254 H GLY 467 H GLY 467 -7.063 5.983 15.848 255 HA2 GLY 467 HA2 GLY 467 -8.441 5.247 17.598 256 HA3 GLY 467 HA3 GLY 467 -8.057 6.706 18.493 257 H ILE 468 H ILE 468 -9.071 7.163 15.251 258 HA ILE 468 HA ILE 468 -11.877 7.585 16.013 259 HB ILE 468 HB ILE 468 -10.836 9.779 16.215 260 HG12 ILE 468 HG12 ILE 468 -12.469 9.592 13.662 261 HG13 ILE 468 HG13 ILE 468 -13.129 9.664 15.293 262 HG21 ILE 468 HG21 ILE 468 -9.921 9.422 13.359 263 HG22 ILE 468 HG22 ILE 468 -8.891 9.420 14.792 264 HG23 ILE 468 HG23 ILE 468 -9.748 10.888 14.324 265 HD11 ILE 468 HD11 ILE 468 -13.273 11.815 14.186 266 HD12 ILE 468 HD12 ILE 468 -11.527 11.824 13.940 267 HD13 ILE 468 HD13 ILE 468 -12.188 11.899 15.574 268 H GLY 469 H GLY 469 -13.365 7.204 14.342 269 HA2 GLY 469 HA2 GLY 469 -12.531 5.436 12.286 270 HA3 GLY 469 HA3 GLY 469 -14.132 6.133 12.454 271 H VAL 470 H VAL 470 -12.126 5.697 10.139 272 HA VAL 470 HA VAL 470 -12.324 8.427 9.030 273 HB VAL 470 HB VAL 470 -9.993 6.556 8.566 274 HG11 VAL 470 HG11 VAL 470 -10.426 9.440 7.761 275 HG12 VAL 470 HG12 VAL 470 -10.420 8.044 6.682 276 HG13 VAL 470 HG13 VAL 470 -8.940 8.519 7.516 277 HG21 VAL 470 HG21 VAL 470 -10.149 9.019 10.305 278 HG22 VAL 470 HG22 VAL 470 -8.684 8.107 9.941 279 HG23 VAL 470 HG23 VAL 470 -9.984 7.354 10.866 280 HA PRO 471 HA PRO 471 -14.116 6.033 5.573 281 HB2 PRO 471 HB2 PRO 471 -15.512 8.071 4.522 282 HB3 PRO 471 HB3 PRO 471 -16.069 7.237 5.980 283 HG2 PRO 471 HG2 PRO 471 -14.601 9.845 5.729 284 HG3 PRO 471 HG3 PRO 471 -15.999 9.447 6.747 285 HD2 PRO 471 HD2 PRO 471 -13.422 9.495 7.673 286 HD3 PRO 471 HD3 PRO 471 -14.693 8.473 8.372 287 H SER 472 H SER 472 -11.977 8.650 5.789 288 HA SER 472 HA SER 472 -11.652 9.212 2.985 289 HB2 SER 472 HB2 SER 472 -10.051 10.091 5.401 290 HB3 SER 472 HB3 SER 472 -9.794 10.687 3.761 291 HG SER 472 HG SER 472 -11.357 12.032 4.082 292 H THR 473 H THR 473 -10.952 6.445 4.257 293 HA THR 473 HA THR 473 -8.052 6.361 3.968 294 HB THR 473 HB THR 473 -9.949 4.116 4.731 295 HG1 THR 473 HG1 THR 473 -10.122 5.339 6.475 296 HG21 THR 473 HG21 THR 473 -6.960 4.379 5.125 297 HG22 THR 473 HG22 THR 473 -7.746 3.353 3.924 298 HG23 THR 473 HG23 THR 473 -7.966 3.026 5.642 299 H LYS 474 H LYS 474 -7.799 6.604 1.757 300 HA LYS 474 HA LYS 474 -8.736 4.403 0.034 301 HB2 LYS 474 HB2 LYS 474 -7.453 7.017 -0.807 302 HB3 LYS 474 HB3 LYS 474 -8.258 5.849 -1.847 303 HG2 LYS 474 HG2 LYS 474 -10.401 6.358 -0.793 304 HG3 LYS 474 HG3 LYS 474 -9.605 7.489 0.304 305 HD2 LYS 474 HD2 LYS 474 -8.850 8.777 -1.719 306 HD3 LYS 474 HD3 LYS 474 -9.864 7.718 -2.698 307 HE2 LYS 474 HE2 LYS 474 -10.826 9.500 -0.453 308 HE3 LYS 474 HE3 LYS 474 -10.985 9.841 -2.174 309 HZ1 LYS 474 HZ1 LYS 474 -13.028 8.951 -1.300 310 HZ2 LYS 474 HZ2 LYS 474 -12.239 7.577 -0.716 311 HZ3 LYS 474 HZ3 LYS 474 -12.355 7.841 -2.381 312 H VAL 475 H VAL 475 -7.313 2.854 -0.516 313 HA VAL 475 HA VAL 475 -4.450 3.270 0.072 314 HB VAL 475 HB VAL 475 -5.916 0.648 -0.338 315 HG11 VAL 475 HG11 VAL 475 -3.168 1.229 0.785 316 HG12 VAL 475 HG12 VAL 475 -3.517 0.506 -0.785 317 HG13 VAL 475 HG13 VAL 475 -3.930 -0.360 0.693 318 HG21 VAL 475 HG21 VAL 475 -5.147 2.012 2.249 319 HG22 VAL 475 HG22 VAL 475 -5.845 0.398 2.101 320 HG23 VAL 475 HG23 VAL 475 -6.788 1.813 1.629 321 H ARG 476 H ARG 476 -3.073 3.477 -1.590 322 HA ARG 476 HA ARG 476 -3.876 2.458 -4.243 323 HB2 ARG 476 HB2 ARG 476 -4.368 4.858 -4.050 324 HB3 ARG 476 HB3 ARG 476 -2.700 5.174 -3.604 325 HG2 ARG 476 HG2 ARG 476 -1.917 4.787 -5.764 326 HG3 ARG 476 HG3 ARG 476 -3.361 3.884 -6.228 327 HD2 ARG 476 HD2 ARG 476 -3.382 6.830 -5.560 328 HD3 ARG 476 HD3 ARG 476 -3.186 6.204 -7.199 329 HE ARG 476 HE ARG 476 -5.406 5.138 -6.879 330 HH11 ARG 476 HH11 ARG 476 -4.571 7.957 -5.087 331 HH12 ARG 476 HH12 ARG 476 -6.220 8.383 -4.795 332 HH21 ARG 476 HH21 ARG 476 -7.515 5.713 -6.512 333 HH22 ARG 476 HH22 ARG 476 -7.864 7.140 -5.599 334 H VAL 477 H VAL 477 -2.203 1.760 -5.624 335 HA VAL 477 HA VAL 477 0.452 1.499 -4.342 336 HB VAL 477 HB VAL 477 -0.929 -0.504 -6.151 337 HG11 VAL 477 HG11 VAL 477 1.730 -0.704 -4.725 338 HG12 VAL 477 HG12 VAL 477 1.502 -0.492 -6.462 339 HG13 VAL 477 HG13 VAL 477 0.964 -1.978 -5.677 340 HG21 VAL 477 HG21 VAL 477 -0.984 -1.946 -4.140 341 HG22 VAL 477 HG22 VAL 477 -1.947 -0.481 -3.948 342 HG23 VAL 477 HG23 VAL 477 -0.364 -0.602 -3.181 343 H TYR 478 H TYR 478 2.155 2.205 -5.455 344 HA TYR 478 HA TYR 478 1.891 2.695 -8.367 345 HB2 TYR 478 HB2 TYR 478 3.613 4.215 -6.389 346 HB3 TYR 478 HB3 TYR 478 3.510 4.526 -8.116 347 HD1 TYR 478 HD1 TYR 478 1.448 5.541 -9.075 348 HD2 TYR 478 HD2 TYR 478 1.948 5.031 -4.872 349 HE1 TYR 478 HE1 TYR 478 -0.346 7.170 -8.664 350 HE2 TYR 478 HE2 TYR 478 0.148 6.651 -4.460 351 HH TYR 478 HH TYR 478 -0.913 8.561 -5.641 352 H ILE 479 H ILE 479 3.425 1.814 -9.686 353 HA ILE 479 HA ILE 479 5.790 0.549 -8.436 354 HB ILE 479 HB ILE 479 4.508 -0.111 -11.104 355 HG12 ILE 479 HG12 ILE 479 4.504 -1.649 -8.485 356 HG13 ILE 479 HG13 ILE 479 3.122 -0.812 -9.183 357 HG21 ILE 479 HG21 ILE 479 6.920 -0.498 -11.122 358 HG22 ILE 479 HG22 ILE 479 6.051 -2.032 -11.132 359 HG23 ILE 479 HG23 ILE 479 6.795 -1.450 -9.642 360 HD11 ILE 479 HD11 ILE 479 2.980 -3.200 -9.554 361 HD12 ILE 479 HD12 ILE 479 4.543 -3.187 -10.367 362 HD13 ILE 479 HD13 ILE 479 3.168 -2.350 -11.088 363 H ASN 480 H ASN 480 7.510 1.876 -8.606 364 HA ASN 480 HA ASN 480 9.005 3.413 -9.370 365 HB2 ASN 480 HB2 ASN 480 8.209 2.245 -12.053 366 HB3 ASN 480 HB3 ASN 480 9.582 3.320 -11.809 367 HD21 ASN 480 HD21 ASN 480 9.636 0.660 -12.835 368 HD22 ASN 480 HD22 ASN 480 10.607 -0.279 -11.757 369 H GLY 481 H GLY 481 6.353 4.360 -8.902 370 HA2 GLY 481 HA2 GLY 481 5.418 6.502 -9.071 371 HA3 GLY 481 HA3 GLY 481 6.418 6.814 -10.478 372 H THR 482 H THR 482 5.054 3.899 -11.076 373 HA THR 482 HA THR 482 3.035 5.064 -12.838 374 HB THR 482 HB THR 482 3.946 2.182 -12.586 375 HG1 THR 482 HG1 THR 482 5.661 3.187 -13.447 376 HG21 THR 482 HG21 THR 482 2.897 1.904 -14.810 377 HG22 THR 482 HG22 THR 482 2.278 3.551 -14.709 378 HG23 THR 482 HG23 THR 482 1.720 2.328 -13.567 379 H LEU 483 H LEU 483 0.918 5.161 -12.288 380 HA LEU 483 HA LEU 483 -0.131 4.032 -9.917 381 HB2 LEU 483 HB2 LEU 483 -1.165 5.984 -10.885 382 HB3 LEU 483 HB3 LEU 483 -1.531 5.119 -12.366 383 HG LEU 483 HG LEU 483 -3.137 3.704 -11.173 384 HD11 LEU 483 HD11 LEU 483 -2.412 5.351 -8.752 385 HD12 LEU 483 HD12 LEU 483 -2.083 3.634 -8.992 386 HD13 LEU 483 HD13 LEU 483 -3.746 4.199 -8.845 387 HD21 LEU 483 HD21 LEU 483 -3.964 5.763 -12.165 388 HD22 LEU 483 HD22 LEU 483 -3.570 6.654 -10.693 389 HD23 LEU 483 HD23 LEU 483 -4.826 5.415 -10.665 390 H TYR 484 H TYR 484 -0.528 1.948 -9.509 391 HA TYR 484 HA TYR 484 -0.998 0.150 -11.794 392 HB2 TYR 484 HB2 TYR 484 0.976 -0.359 -10.448 393 HB3 TYR 484 HB3 TYR 484 -0.017 -0.466 -8.998 394 HD1 TYR 484 HD1 TYR 484 0.339 -1.976 -12.390 395 HD2 TYR 484 HD2 TYR 484 -0.849 -2.546 -8.337 396 HE1 TYR 484 HE1 TYR 484 -0.051 -4.357 -12.850 397 HE2 TYR 484 HE2 TYR 484 -1.241 -4.938 -8.790 398 HH TYR 484 HH TYR 484 -1.641 -6.434 -10.597 399 H LYS 485 H LYS 485 -2.298 0.882 -8.544 400 HA LYS 485 HA LYS 485 -4.886 -0.179 -9.205 401 HB2 LYS 485 HB2 LYS 485 -3.308 -2.197 -8.785 402 HB3 LYS 485 HB3 LYS 485 -3.395 -1.734 -7.093 403 HG2 LYS 485 HG2 LYS 485 -5.809 -2.070 -7.104 404 HG3 LYS 485 HG3 LYS 485 -5.757 -2.473 -8.824 405 HD2 LYS 485 HD2 LYS 485 -4.216 -4.359 -8.267 406 HD3 LYS 485 HD3 LYS 485 -4.464 -4.001 -6.560 407 HE2 LYS 485 HE2 LYS 485 -5.909 -5.807 -7.137 408 HE3 LYS 485 HE3 LYS 485 -6.917 -4.376 -6.925 409 HZ1 LYS 485 HZ1 LYS 485 -7.104 -4.134 -9.268 410 HZ2 LYS 485 HZ2 LYS 485 -7.465 -5.744 -8.903 411 HZ3 LYS 485 HZ3 LYS 485 -5.961 -5.344 -9.561 412 H ASN 486 H ASN 486 -6.431 -0.017 -7.343 413 HA ASN 486 HA ASN 486 -5.520 1.163 -4.887 414 HB2 ASN 486 HB2 ASN 486 -6.690 3.297 -5.043 415 HB3 ASN 486 HB3 ASN 486 -5.472 3.163 -6.306 416 HD21 ASN 486 HD21 ASN 486 -6.852 1.625 -8.170 417 HD22 ASN 486 HD22 ASN 486 -8.162 2.563 -8.778 418 H TRP 487 H TRP 487 -7.131 1.419 -3.288 419 HA TRP 487 HA TRP 487 -9.798 0.282 -3.821 420 HB2 TRP 487 HB2 TRP 487 -8.088 -0.436 -1.420 421 HB3 TRP 487 HB3 TRP 487 -9.693 -1.053 -1.785 422 HD1 TRP 487 HD1 TRP 487 -9.872 -2.934 -3.704 423 HE1 TRP 487 HE1 TRP 487 -8.119 -4.566 -4.640 424 HE3 TRP 487 HE3 TRP 487 -5.638 -0.631 -2.012 425 HZ2 TRP 487 HZ2 TRP 487 -5.308 -4.846 -4.656 426 HZ3 TRP 487 HZ3 TRP 487 -3.455 -1.645 -2.528 427 HH2 TRP 487 HH2 TRP 487 -3.296 -3.709 -3.824 428 H THR 488 H THR 488 -11.456 1.101 -2.443 429 HA THR 488 HA THR 488 -10.627 3.279 -0.608 430 HB THR 488 HB THR 488 -13.260 2.984 -2.082 431 HG1 THR 488 HG1 THR 488 -11.354 3.773 -3.275 432 HG21 THR 488 HG21 THR 488 -13.614 3.970 0.125 433 HG22 THR 488 HG22 THR 488 -13.802 5.194 -1.131 434 HG23 THR 488 HG23 THR 488 -12.324 5.136 -0.172 435 H VAL 489 H VAL 489 -10.877 2.856 1.488 436 HA VAL 489 HA VAL 489 -13.046 1.085 2.392 437 HB VAL 489 HB VAL 489 -11.519 -0.086 3.947 438 HG11 VAL 489 HG11 VAL 489 -10.384 -1.515 2.285 439 HG12 VAL 489 HG12 VAL 489 -10.735 -0.318 1.036 440 HG13 VAL 489 HG13 VAL 489 -12.056 -1.167 1.842 441 HG21 VAL 489 HG21 VAL 489 -9.784 1.636 4.118 442 HG22 VAL 489 HG22 VAL 489 -9.307 1.331 2.447 443 HG23 VAL 489 HG23 VAL 489 -9.092 0.077 3.671 444 H SER 490 H SER 490 -13.122 1.085 4.898 445 HA SER 490 HA SER 490 -12.405 3.752 5.952 446 HB2 SER 490 HB2 SER 490 -14.473 3.817 7.236 447 HB3 SER 490 HB3 SER 490 -14.856 3.578 5.534 448 HG SER 490 HG SER 490 -15.357 1.971 7.682 449 H LEU 491 H LEU 491 -11.409 3.802 7.901 450 HA LEU 491 HA LEU 491 -11.103 1.239 9.354 451 HB2 LEU 491 HB2 LEU 491 -9.152 3.528 9.039 452 HB3 LEU 491 HB3 LEU 491 -8.912 2.186 10.142 453 HG LEU 491 HG LEU 491 -9.122 1.940 7.133 454 HD11 LEU 491 HD11 LEU 491 -7.063 3.076 7.834 455 HD12 LEU 491 HD12 LEU 491 -6.736 1.473 7.179 456 HD13 LEU 491 HD13 LEU 491 -6.696 1.737 8.924 457 HD21 LEU 491 HD21 LEU 491 -8.406 -0.365 7.485 458 HD22 LEU 491 HD22 LEU 491 -9.924 -0.048 8.321 459 HD23 LEU 491 HD23 LEU 491 -8.414 -0.117 9.232 460 H GLY 492 H GLY 492 -12.046 1.222 11.292 461 HA2 GLY 492 HA2 GLY 492 -12.985 3.635 12.553 462 HA3 GLY 492 HA3 GLY 492 -13.154 1.999 13.166 463 HA PRO 493 HA PRO 493 -10.147 4.421 15.850 464 HB2 PRO 493 HB2 PRO 493 -11.170 3.417 18.202 465 HB3 PRO 493 HB3 PRO 493 -11.697 4.925 17.454 466 HG2 PRO 493 HG2 PRO 493 -12.953 2.205 17.309 467 HG3 PRO 493 HG3 PRO 493 -13.729 3.786 17.526 468 HD2 PRO 493 HD2 PRO 493 -13.713 2.555 15.138 469 HD3 PRO 493 HD3 PRO 493 -13.554 4.321 15.263 470 H LYS 494 H LYS 494 -8.430 3.168 15.162 471 HA LYS 494 HA LYS 494 -6.745 1.679 15.333 472 HB2 LYS 494 HB2 LYS 494 -8.105 0.937 17.931 473 HB3 LYS 494 HB3 LYS 494 -6.506 0.377 17.444 474 HG2 LYS 494 HG2 LYS 494 -5.676 2.660 17.426 475 HG3 LYS 494 HG3 LYS 494 -7.285 3.274 17.809 476 HD2 LYS 494 HD2 LYS 494 -7.213 2.098 19.968 477 HD3 LYS 494 HD3 LYS 494 -5.600 1.492 19.583 478 HE2 LYS 494 HE2 LYS 494 -4.766 3.800 19.469 479 HE3 LYS 494 HE3 LYS 494 -6.375 4.402 19.857 480 HZ1 LYS 494 HZ1 LYS 494 -4.823 2.616 21.641 481 HZ2 LYS 494 HZ2 LYS 494 -6.246 3.449 22.011 482 HZ3 LYS 494 HZ3 LYS 494 -4.806 4.300 21.762 483 H GLU 495 H GLU 495 -8.290 0.945 13.495 484 HA GLU 495 HA GLU 495 -8.795 -1.958 13.787 485 HB2 GLU 495 HB2 GLU 495 -10.892 -0.819 13.409 486 HB3 GLU 495 HB3 GLU 495 -10.205 0.125 12.096 487 HG2 GLU 495 HG2 GLU 495 -11.600 -1.531 11.133 488 HG3 GLU 495 HG3 GLU 495 -9.935 -2.000 10.806 489 H GLU 496 H GLU 496 -8.196 -3.301 11.961 490 HA GLU 496 HA GLU 496 -6.573 -2.004 9.870 491 HB2 GLU 496 HB2 GLU 496 -4.967 -2.906 11.468 492 HB3 GLU 496 HB3 GLU 496 -5.755 -4.480 11.413 493 HG2 GLU 496 HG2 GLU 496 -5.147 -4.715 9.057 494 HG3 GLU 496 HG3 GLU 496 -4.389 -3.127 9.084 495 H LYS 497 H LYS 497 -6.868 -2.757 7.852 496 HA LYS 497 HA LYS 497 -8.410 -5.259 7.487 497 HB2 LYS 497 HB2 LYS 497 -8.280 -2.997 5.481 498 HB3 LYS 497 HB3 LYS 497 -9.388 -4.361 5.498 499 HG2 LYS 497 HG2 LYS 497 -9.355 -2.047 7.429 500 HG3 LYS 497 HG3 LYS 497 -10.528 -2.330 6.146 501 HD2 LYS 497 HD2 LYS 497 -10.082 -4.183 8.492 502 HD3 LYS 497 HD3 LYS 497 -11.331 -2.941 8.430 503 HE2 LYS 497 HE2 LYS 497 -12.307 -4.033 6.458 504 HE3 LYS 497 HE3 LYS 497 -11.064 -5.283 6.542 505 HZ1 LYS 497 HZ1 LYS 497 -13.106 -6.032 7.563 506 HZ2 LYS 497 HZ2 LYS 497 -13.101 -4.714 8.625 507 HZ3 LYS 497 HZ3 LYS 497 -11.894 -5.895 8.733 508 H VAL 498 H VAL 498 -7.763 -6.650 5.746 509 HA VAL 498 HA VAL 498 -4.974 -6.210 4.854 510 HB VAL 498 HB VAL 498 -6.371 -8.862 5.302 511 HG11 VAL 498 HG11 VAL 498 -4.155 -9.859 4.939 512 HG12 VAL 498 HG12 VAL 498 -3.498 -8.266 4.564 513 HG13 VAL 498 HG13 VAL 498 -4.714 -8.989 3.510 514 HG21 VAL 498 HG21 VAL 498 -4.211 -7.507 6.930 515 HG22 VAL 498 HG22 VAL 498 -4.858 -9.124 7.215 516 HG23 VAL 498 HG23 VAL 498 -5.896 -7.712 7.411 517 H LEU 499 H LEU 499 -4.860 -5.679 2.775 518 HA LEU 499 HA LEU 499 -6.842 -6.777 0.870 519 HB2 LEU 499 HB2 LEU 499 -5.128 -4.293 0.630 520 HB3 LEU 499 HB3 LEU 499 -6.315 -4.837 -0.543 521 HG LEU 499 HG LEU 499 -6.963 -3.978 2.287 522 HD11 LEU 499 HD11 LEU 499 -7.929 -1.973 1.254 523 HD12 LEU 499 HD12 LEU 499 -7.322 -2.494 -0.318 524 HD13 LEU 499 HD13 LEU 499 -6.192 -2.084 0.972 525 HD21 LEU 499 HD21 LEU 499 -8.540 -5.624 1.367 526 HD22 LEU 499 HD22 LEU 499 -8.791 -4.591 -0.042 527 HD23 LEU 499 HD23 LEU 499 -9.286 -4.039 1.559 528 H THR 500 H THR 500 -6.150 -7.959 -0.882 529 HA THR 500 HA THR 500 -3.222 -8.206 -1.285 530 HB THR 500 HB THR 500 -3.678 -10.484 -2.224 531 HG1 THR 500 HG1 THR 500 -5.661 -11.368 -2.075 532 HG21 THR 500 HG21 THR 500 -2.852 -10.243 0.058 533 HG22 THR 500 HG22 THR 500 -3.973 -11.598 -0.060 534 HG23 THR 500 HG23 THR 500 -4.505 -10.076 0.656 535 H PHE 501 H PHE 501 -2.424 -8.383 -3.395 536 HA PHE 501 HA PHE 501 -4.298 -8.197 -5.626 537 HB2 PHE 501 HB2 PHE 501 -3.181 -6.274 -6.638 538 HB3 PHE 501 HB3 PHE 501 -3.815 -5.850 -5.055 539 HD1 PHE 501 HD1 PHE 501 -2.235 -5.664 -3.114 540 HD2 PHE 501 HD2 PHE 501 -0.879 -6.069 -7.134 541 HE1 PHE 501 HE1 PHE 501 -0.026 -4.799 -2.455 542 HE2 PHE 501 HE2 PHE 501 1.330 -5.209 -6.479 543 HZ PHE 501 HZ PHE 501 1.759 -4.569 -4.139 544 H SER 502 H SER 502 -3.402 -8.788 -7.658 545 HA SER 502 HA SER 502 -0.890 -10.328 -7.439 546 HB2 SER 502 HB2 SER 502 -1.796 -11.733 -9.279 547 HB3 SER 502 HB3 SER 502 -2.818 -11.761 -7.844 548 HG SER 502 HG SER 502 -4.317 -11.282 -9.249 549 H TRP 503 H TRP 503 0.678 -10.121 -8.994 550 HA TRP 503 HA TRP 503 0.262 -8.249 -11.216 551 HB2 TRP 503 HB2 TRP 503 1.184 -6.878 -9.436 552 HB3 TRP 503 HB3 TRP 503 2.466 -8.047 -9.143 553 HD1 TRP 503 HD1 TRP 503 1.333 -6.290 -12.433 554 HE1 TRP 503 HE1 TRP 503 3.416 -5.236 -13.518 555 HE3 TRP 503 HE3 TRP 503 4.801 -7.528 -8.888 556 HZ2 TRP 503 HZ2 TRP 503 6.163 -4.958 -12.940 557 HZ3 TRP 503 HZ3 TRP 503 7.137 -6.825 -9.226 558 HH2 TRP 503 HH2 TRP 503 7.802 -5.567 -11.212 559 H THR 504 H THR 504 1.343 -8.791 -13.064 560 HA THR 504 HA THR 504 3.213 -11.082 -12.931 561 HB THR 504 HB THR 504 1.322 -10.386 -15.199 562 HG1 THR 504 HG1 THR 504 1.303 -12.469 -13.248 563 HG21 THR 504 HG21 THR 504 3.376 -11.392 -16.048 564 HG22 THR 504 HG22 THR 504 2.049 -12.549 -16.156 565 HG23 THR 504 HG23 THR 504 3.247 -12.699 -14.870 566 HA PRO 505 HA PRO 505 5.821 -7.800 -14.758 567 HB2 PRO 505 HB2 PRO 505 8.175 -8.725 -13.832 568 HB3 PRO 505 HB3 PRO 505 7.050 -7.835 -12.798 569 HG2 PRO 505 HG2 PRO 505 7.505 -10.793 -12.995 570 HG3 PRO 505 HG3 PRO 505 7.292 -9.788 -11.549 571 HD2 PRO 505 HD2 PRO 505 5.286 -11.289 -12.669 572 HD3 PRO 505 HD3 PRO 505 4.999 -9.815 -11.721 573 H THR 506 H THR 506 5.687 -8.276 -16.943 574 HA THR 506 HA THR 506 6.712 -10.762 -18.018 575 HB THR 506 HB THR 506 6.069 -9.867 -20.220 576 HG1 THR 506 HG1 THR 506 4.736 -7.678 -19.595 577 HG21 THR 506 HG21 THR 506 3.644 -9.660 -19.811 578 HG22 THR 506 HG22 THR 506 3.957 -9.453 -18.088 579 HG23 THR 506 HG23 THR 506 4.353 -10.980 -18.879 580 H GLN 507 H GLN 507 8.266 -8.034 -17.009 581 HA GLN 507 HA GLN 507 10.547 -8.575 -18.781 582 HB2 GLN 507 HB2 GLN 507 9.351 -6.539 -19.602 583 HB3 GLN 507 HB3 GLN 507 9.642 -5.776 -18.044 584 HG2 GLN 507 HG2 GLN 507 11.240 -5.019 -19.716 585 HG3 GLN 507 HG3 GLN 507 12.048 -5.895 -18.416 586 HE21 GLN 507 HE21 GLN 507 11.115 -5.970 -21.766 587 HE22 GLN 507 HE22 GLN 507 12.130 -7.292 -22.220 588 H GLU 508 H GLU 508 12.596 -8.268 -17.858 589 HA GLU 508 HA GLU 508 12.627 -8.518 -14.972 590 HB2 GLU 508 HB2 GLU 508 15.059 -9.022 -15.295 591 HB3 GLU 508 HB3 GLU 508 13.964 -10.093 -16.150 592 HG2 GLU 508 HG2 GLU 508 15.605 -9.726 -17.718 593 HG3 GLU 508 HG3 GLU 508 14.394 -8.535 -18.179 594 H GLY 509 H GLY 509 13.934 -7.287 -13.524 595 HA2 GLY 509 HA2 GLY 509 15.643 -5.268 -13.834 596 HA3 GLY 509 HA3 GLY 509 14.146 -4.471 -14.290 597 H MET 510 H MET 510 15.158 -3.184 -12.370 598 HA MET 510 HA MET 510 14.353 -4.223 -9.757 599 HB2 MET 510 HB2 MET 510 16.510 -3.071 -9.944 600 HB3 MET 510 HB3 MET 510 15.714 -1.639 -10.570 601 HG2 MET 510 HG2 MET 510 16.031 -1.011 -8.408 602 HG3 MET 510 HG3 MET 510 14.432 -1.733 -8.277 603 HE1 MET 510 HE1 MET 510 15.080 -5.049 -6.390 604 HE2 MET 510 HE2 MET 510 14.801 -4.831 -8.117 605 HE3 MET 510 HE3 MET 510 13.879 -3.884 -6.949 606 H TYR 511 H TYR 511 12.195 -4.067 -9.368 607 HA TYR 511 HA TYR 511 10.767 -1.635 -10.243 608 HB2 TYR 511 HB2 TYR 511 9.731 -4.407 -9.606 609 HB3 TYR 511 HB3 TYR 511 8.699 -3.026 -9.964 610 HD1 TYR 511 HD1 TYR 511 11.205 -5.347 -11.385 611 HD2 TYR 511 HD2 TYR 511 8.393 -2.257 -12.221 612 HE1 TYR 511 HE1 TYR 511 11.393 -5.828 -13.789 613 HE2 TYR 511 HE2 TYR 511 8.576 -2.738 -14.624 614 HH TYR 511 HH TYR 511 10.156 -5.532 -15.826 615 H ARG 512 H ARG 512 10.249 -0.204 -8.749 616 HA ARG 512 HA ARG 512 10.231 -0.938 -5.922 617 HB2 ARG 512 HB2 ARG 512 11.524 1.001 -6.387 618 HB3 ARG 512 HB3 ARG 512 10.263 1.696 -7.392 619 HG2 ARG 512 HG2 ARG 512 10.429 2.864 -5.272 620 HG3 ARG 512 HG3 ARG 512 8.869 2.056 -5.419 621 HD2 ARG 512 HD2 ARG 512 9.754 1.778 -3.177 622 HD3 ARG 512 HD3 ARG 512 9.697 0.223 -4.004 623 HE ARG 512 HE ARG 512 11.975 0.097 -3.833 624 HH11 ARG 512 HH11 ARG 512 11.031 3.371 -3.261 625 HH12 ARG 512 HH12 ARG 512 12.622 3.849 -2.790 626 HH21 ARG 512 HH21 ARG 512 13.981 0.724 -3.202 627 HH22 ARG 512 HH22 ARG 512 14.270 2.371 -2.743 628 H ILE 513 H ILE 513 8.351 -1.651 -5.117 629 HA ILE 513 HA ILE 513 5.822 -0.503 -6.078 630 HB ILE 513 HB ILE 513 6.339 -2.924 -4.330 631 HG12 ILE 513 HG12 ILE 513 5.352 -2.617 -7.185 632 HG13 ILE 513 HG13 ILE 513 6.878 -3.325 -6.666 633 HG21 ILE 513 HG21 ILE 513 3.700 -1.806 -5.300 634 HG22 ILE 513 HG22 ILE 513 4.273 -1.830 -3.633 635 HG23 ILE 513 HG23 ILE 513 3.918 -3.344 -4.463 636 HD11 ILE 513 HD11 ILE 513 5.666 -5.159 -5.605 637 HD12 ILE 513 HD12 ILE 513 5.292 -5.032 -7.323 638 HD13 ILE 513 HD13 ILE 513 4.137 -4.448 -6.126 639 H ASN 514 H ASN 514 4.753 0.968 -4.924 640 HA ASN 514 HA ASN 514 5.355 1.256 -2.045 641 HB2 ASN 514 HB2 ASN 514 4.816 3.442 -4.069 642 HB3 ASN 514 HB3 ASN 514 4.887 3.700 -2.328 643 HD21 ASN 514 HD21 ASN 514 6.870 3.424 -1.264 644 HD22 ASN 514 HD22 ASN 514 8.360 3.548 -2.126 645 H ALA 515 H ALA 515 3.657 1.381 -0.679 646 HA ALA 515 HA ALA 515 0.946 1.621 -1.834 647 HB1 ALA 515 HB1 ALA 515 1.305 -0.510 -0.683 648 HB2 ALA 515 HB2 ALA 515 0.124 0.478 0.178 649 HB3 ALA 515 HB3 ALA 515 1.777 0.350 0.784 650 H THR 516 H THR 516 -0.289 3.303 -1.225 651 HA THR 516 HA THR 516 0.602 4.995 1.027 652 HB THR 516 HB THR 516 -0.034 7.007 -0.355 653 HG1 THR 516 HG1 THR 516 -0.051 6.624 -2.664 654 HG21 THR 516 HG21 THR 516 2.033 7.053 -1.680 655 HG22 THR 516 HG22 THR 516 2.221 5.312 -1.458 656 HG23 THR 516 HG23 THR 516 2.323 6.394 -0.070 657 H VAL 517 H VAL 517 -1.009 5.875 2.268 658 HA VAL 517 HA VAL 517 -3.787 5.318 1.427 659 HB VAL 517 HB VAL 517 -3.230 4.159 3.480 660 HG11 VAL 517 HG11 VAL 517 -2.610 5.347 5.529 661 HG12 VAL 517 HG12 VAL 517 -2.531 6.861 4.628 662 HG13 VAL 517 HG13 VAL 517 -1.402 5.557 4.262 663 HG21 VAL 517 HG21 VAL 517 -4.999 5.023 4.944 664 HG22 VAL 517 HG22 VAL 517 -5.506 4.998 3.255 665 HG23 VAL 517 HG23 VAL 517 -5.039 6.521 4.013 666 H ASP 518 H ASP 518 -5.313 6.915 1.460 667 HA ASP 518 HA ASP 518 -6.003 8.986 0.822 668 HB2 ASP 518 HB2 ASP 518 -6.190 8.979 3.360 669 HB3 ASP 518 HB3 ASP 518 -4.703 9.922 3.388 670 H GLU 519 H GLU 519 -4.257 8.796 -0.879 671 HA GLU 519 HA GLU 519 -1.888 10.244 -0.866 672 HB2 GLU 519 HB2 GLU 519 -3.810 9.423 -3.012 673 HB3 GLU 519 HB3 GLU 519 -2.502 10.522 -3.422 674 HG2 GLU 519 HG2 GLU 519 -2.045 7.879 -2.072 675 HG3 GLU 519 HG3 GLU 519 -2.061 8.083 -3.825 676 H GLU 520 H GLU 520 -5.165 11.401 -1.186 677 HA GLU 520 HA GLU 520 -4.444 14.012 -2.163 678 HB2 GLU 520 HB2 GLU 520 -7.074 13.229 -0.907 679 HB3 GLU 520 HB3 GLU 520 -6.771 14.500 -2.084 680 HG2 GLU 520 HG2 GLU 520 -6.644 11.527 -2.568 681 HG3 GLU 520 HG3 GLU 520 -7.886 12.639 -3.137 682 H ASN 521 H ASN 521 -4.624 12.523 0.922 683 HA ASN 521 HA ASN 521 -4.338 13.244 3.056 684 HB2 ASN 521 HB2 ASN 521 -2.391 14.445 1.939 685 HB3 ASN 521 HB3 ASN 521 -3.408 15.877 1.872 686 HD21 ASN 521 HD21 ASN 521 -1.695 13.679 3.966 687 HD22 ASN 521 HD22 ASN 521 -1.676 14.716 5.347 688 H THR 522 H THR 522 -6.866 13.302 2.187 689 HA THR 522 HA THR 522 -8.203 15.812 2.328 690 HB THR 522 HB THR 522 -10.285 14.551 2.400 691 HG1 THR 522 HG1 THR 522 -8.590 12.300 2.910 692 HG21 THR 522 HG21 THR 522 -9.168 14.703 0.229 693 HG22 THR 522 HG22 THR 522 -10.016 13.165 0.387 694 HG23 THR 522 HG23 THR 522 -8.263 13.228 0.579 695 H VAL 523 H VAL 523 -7.532 13.296 4.702 696 HA VAL 523 HA VAL 523 -8.832 14.908 6.796 697 HB VAL 523 HB VAL 523 -9.485 12.510 6.580 698 HG11 VAL 523 HG11 VAL 523 -7.337 11.566 5.925 699 HG12 VAL 523 HG12 VAL 523 -7.962 10.761 7.364 700 HG13 VAL 523 HG13 VAL 523 -6.666 11.948 7.511 701 HG21 VAL 523 HG21 VAL 523 -9.378 12.016 8.982 702 HG22 VAL 523 HG22 VAL 523 -9.803 13.698 8.673 703 HG23 VAL 523 HG23 VAL 523 -8.167 13.284 9.186 704 H VAL 524 H VAL 524 -7.704 15.575 8.654 705 HA VAL 524 HA VAL 524 -4.879 16.030 8.213 706 HB VAL 524 HB VAL 524 -6.619 16.884 10.541 707 HG11 VAL 524 HG11 VAL 524 -4.261 16.870 11.140 708 HG12 VAL 524 HG12 VAL 524 -4.842 18.528 10.990 709 HG13 VAL 524 HG13 VAL 524 -3.869 17.815 9.703 710 HG21 VAL 524 HG21 VAL 524 -5.805 18.411 8.059 711 HG22 VAL 524 HG22 VAL 524 -6.677 19.084 9.437 712 HG23 VAL 524 HG23 VAL 524 -7.427 17.833 8.445 713 H GLU 525 H GLU 525 -3.366 14.664 8.864 714 HA GLU 525 HA GLU 525 -4.006 12.518 10.733 715 HB2 GLU 525 HB2 GLU 525 -1.565 12.976 9.000 716 HB3 GLU 525 HB3 GLU 525 -1.923 11.508 9.898 717 HG2 GLU 525 HG2 GLU 525 -3.755 12.583 7.768 718 HG3 GLU 525 HG3 GLU 525 -2.415 11.496 7.406 719 H LEU 526 H LEU 526 -2.640 11.925 12.498 720 HA LEU 526 HA LEU 526 -1.438 14.040 13.984 721 HB2 LEU 526 HB2 LEU 526 -1.233 11.034 14.309 722 HB3 LEU 526 HB3 LEU 526 -0.615 12.196 15.469 723 HG LEU 526 HG LEU 526 -3.529 11.897 14.707 724 HD11 LEU 526 HD11 LEU 526 -3.815 10.909 16.921 725 HD12 LEU 526 HD12 LEU 526 -2.076 11.005 17.201 726 HD13 LEU 526 HD13 LEU 526 -2.710 9.948 15.938 727 HD21 LEU 526 HD21 LEU 526 -2.214 13.551 16.870 728 HD22 LEU 526 HD22 LEU 526 -3.950 13.378 16.610 729 HD23 LEU 526 HD23 LEU 526 -2.953 14.174 15.394 730 H ASN 527 H ASN 527 -0.143 11.408 12.001 731 HA ASN 527 HA ASN 527 2.342 12.959 11.676 732 HB2 ASN 527 HB2 ASN 527 2.910 11.146 13.168 733 HB3 ASN 527 HB3 ASN 527 2.101 9.975 12.131 734 HD21 ASN 527 HD21 ASN 527 4.004 8.770 12.021 735 HD22 ASN 527 HD22 ASN 527 5.335 9.266 11.033 736 H GLU 528 H GLU 528 2.465 13.564 9.610 737 HA GLU 528 HA GLU 528 0.850 12.245 7.594 738 HB2 GLU 528 HB2 GLU 528 1.058 14.743 7.854 739 HB3 GLU 528 HB3 GLU 528 2.715 14.610 7.282 740 HG2 GLU 528 HG2 GLU 528 1.904 13.714 5.150 741 HG3 GLU 528 HG3 GLU 528 0.243 13.855 5.724 742 H ASN 529 H ASN 529 3.907 11.714 8.775 743 HA ASN 529 HA ASN 529 5.115 10.918 6.228 744 HB2 ASN 529 HB2 ASN 529 6.191 10.777 9.060 745 HB3 ASN 529 HB3 ASN 529 7.106 10.399 7.601 746 HD21 ASN 529 HD21 ASN 529 5.664 12.935 9.500 747 HD22 ASN 529 HD22 ASN 529 6.477 14.242 8.713 748 H ASN 530 H ASN 530 2.921 9.566 8.236 749 HA ASN 530 HA ASN 530 4.098 6.884 8.364 750 HB2 ASN 530 HB2 ASN 530 3.030 8.014 10.364 751 HB3 ASN 530 HB3 ASN 530 1.481 7.838 9.551 752 HD21 ASN 530 HD21 ASN 530 0.712 6.542 11.234 753 HD22 ASN 530 HD22 ASN 530 1.230 4.907 11.426 754 H ASN 531 H ASN 531 2.213 8.577 6.214 755 HA ASN 531 HA ASN 531 0.188 6.581 5.670 756 HB2 ASN 531 HB2 ASN 531 0.853 9.108 4.142 757 HB3 ASN 531 HB3 ASN 531 -0.623 8.159 4.000 758 HD21 ASN 531 HD21 ASN 531 -2.165 8.294 5.634 759 HD22 ASN 531 HD22 ASN 531 -2.131 9.521 6.844 760 H VAL 532 H VAL 532 3.351 6.445 4.891 761 HA VAL 532 HA VAL 532 2.852 5.389 2.168 762 HB VAL 532 HB VAL 532 5.309 6.945 3.020 763 HG11 VAL 532 HG11 VAL 532 4.539 5.847 0.307 764 HG12 VAL 532 HG12 VAL 532 5.828 5.238 1.345 765 HG13 VAL 532 HG13 VAL 532 5.946 6.854 0.650 766 HG21 VAL 532 HG21 VAL 532 4.508 8.699 1.500 767 HG22 VAL 532 HG22 VAL 532 3.359 8.406 2.806 768 HG23 VAL 532 HG23 VAL 532 3.042 7.766 1.193 769 H ALA 533 H ALA 533 3.860 3.516 1.573 770 HA ALA 533 HA ALA 533 5.830 2.310 3.417 771 HB1 ALA 533 HB1 ALA 533 3.600 0.850 1.993 772 HB2 ALA 533 HB2 ALA 533 3.695 1.178 3.722 773 HB3 ALA 533 HB3 ALA 533 4.865 0.098 2.967 774 H THR 534 H THR 534 7.516 1.138 2.471 775 HA THR 534 HA THR 534 7.765 1.386 -0.474 776 HB THR 534 HB THR 534 9.913 1.729 1.635 777 HG1 THR 534 HG1 THR 534 9.443 3.768 1.380 778 HG21 THR 534 HG21 THR 534 10.185 1.730 -1.378 779 HG22 THR 534 HG22 THR 534 10.846 0.521 -0.276 780 HG23 THR 534 HG23 THR 534 11.452 2.176 -0.238 781 H PHE 535 H PHE 535 8.303 -0.424 -1.601 782 HA PHE 535 HA PHE 535 9.630 -2.664 -0.235 783 HB2 PHE 535 HB2 PHE 535 7.141 -3.040 -0.203 784 HB3 PHE 535 HB3 PHE 535 7.165 -3.038 -1.961 785 HD1 PHE 535 HD1 PHE 535 8.137 -4.913 -3.197 786 HD2 PHE 535 HD2 PHE 535 8.010 -4.907 1.062 787 HE1 PHE 535 HE1 PHE 535 8.614 -7.327 -3.181 788 HE2 PHE 535 HE2 PHE 535 8.483 -7.320 1.081 789 HZ PHE 535 HZ PHE 535 8.786 -8.534 -1.041 790 H ASP 536 H ASP 536 11.112 -3.733 -1.512 791 HA ASP 536 HA ASP 536 11.427 -2.759 -4.281 792 HB2 ASP 536 HB2 ASP 536 13.446 -4.089 -2.455 793 HB3 ASP 536 HB3 ASP 536 13.773 -3.498 -4.081 794 H VAL 537 H VAL 537 10.997 -4.103 -5.935 795 HA VAL 537 HA VAL 537 10.969 -7.023 -5.446 796 HB VAL 537 HB VAL 537 9.440 -5.465 -7.551 797 HG11 VAL 537 HG11 VAL 537 9.313 -8.392 -6.806 798 HG12 VAL 537 HG12 VAL 537 10.012 -7.726 -8.282 799 HG13 VAL 537 HG13 VAL 537 8.281 -7.578 -7.982 800 HG21 VAL 537 HG21 VAL 537 8.433 -6.775 -5.020 801 HG22 VAL 537 HG22 VAL 537 7.442 -5.982 -6.246 802 HG23 VAL 537 HG23 VAL 537 8.587 -5.039 -5.291 803 H SER 538 H SER 538 12.383 -8.246 -6.568 804 HA SER 538 HA SER 538 13.784 -7.040 -8.881 805 HB2 SER 538 HB2 SER 538 15.254 -7.547 -6.936 806 HB3 SER 538 HB3 SER 538 14.786 -9.244 -7.053 807 HG SER 538 HG SER 538 16.656 -7.892 -8.447 808 H VAL 539 H VAL 539 13.336 -7.910 -10.811 809 HA VAL 539 HA VAL 539 12.043 -10.549 -10.932 810 HB VAL 539 HB VAL 539 12.300 -8.480 -13.130 811 HG11 VAL 539 HG11 VAL 539 10.566 -10.951 -12.928 812 HG12 VAL 539 HG12 VAL 539 11.973 -10.750 -13.975 813 HG13 VAL 539 HG13 VAL 539 10.529 -9.771 -14.240 814 HG21 VAL 539 HG21 VAL 539 10.980 -7.600 -11.271 815 HG22 VAL 539 HG22 VAL 539 9.969 -9.046 -11.287 816 HG23 VAL 539 HG23 VAL 539 9.949 -7.940 -12.661 817 H VAL 540 H VAL 540 13.018 -12.295 -11.815 818 HA VAL 540 HA VAL 540 15.672 -11.919 -13.070 819 HB VAL 540 HB VAL 540 16.215 -14.208 -12.310 820 HG11 VAL 540 HG11 VAL 540 16.862 -12.301 -10.932 821 HG12 VAL 540 HG12 VAL 540 16.465 -13.693 -9.926 822 HG13 VAL 540 HG13 VAL 540 15.313 -12.368 -10.089 823 HG21 VAL 540 HG21 VAL 540 14.770 -15.346 -10.679 824 HG22 VAL 540 HG22 VAL 540 13.955 -15.145 -12.230 825 HG23 VAL 540 HG23 VAL 540 13.552 -14.086 -10.877 826 H LEU 541 H LEU 541 16.303 -13.381 -14.767 827 HA LEU 541 HA LEU 541 14.069 -14.225 -16.472 828 HB2 LEU 541 HB2 LEU 541 17.024 -13.930 -17.033 829 HB3 LEU 541 HB3 LEU 541 15.855 -14.494 -18.212 830 HG LEU 541 HG LEU 541 15.854 -11.750 -16.932 831 HD11 LEU 541 HD11 LEU 541 16.630 -12.611 -19.722 832 HD12 LEU 541 HD12 LEU 541 17.735 -12.058 -18.463 833 HD13 LEU 541 HD13 LEU 541 16.540 -10.949 -19.135 834 HD21 LEU 541 HD21 LEU 541 13.605 -12.482 -17.501 835 HD22 LEU 541 HD22 LEU 541 14.135 -12.916 -19.127 836 HD23 LEU 541 HD23 LEU 541 14.141 -11.227 -18.618 837 H GLU 542 H GLU 542 16.254 -15.587 -14.299 838 HA GLU 542 HA GLU 542 16.747 -18.076 -15.627 839 HB2 GLU 542 HB2 GLU 542 17.684 -18.753 -13.394 840 HB3 GLU 542 HB3 GLU 542 18.394 -17.310 -14.103 841 HG2 GLU 542 HG2 GLU 542 16.783 -15.990 -12.630 842 HG3 GLU 542 HG3 GLU 542 16.495 -17.508 -11.783