#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhe s LEU 76 N 0.00 1.34 0.08 0.99 1.43 0.40 -4.82 118.68 118.10 1jhe s LEU 76 Ca 0.00 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 1jhe s LEU 76 Cb 0.00 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.73 1jhe s LEU 76 CO 0.00 -0.05 0.59 -2.16 0.23 0.00 0.00 176.35 174.96 1jhe s PRO 77 N 0.88 4.24 -0.13 1.29 0.04 -1.26 0.10 135.00 140.17 1jhe s PRO 77 Ca -0.12 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 1jhe s PRO 77 Cb -0.14 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1jhe s PRO 77 CO 0.00 0.63 0.25 -1.17 0.04 0.00 0.00 177.00 176.76 1jhe s LEU 78 N -1.12 4.32 -0.07 -3.56 2.96 -0.05 0.28 118.68 121.44 1jhe s LEU 78 Ca 0.30 0.54 0.15 0.00 -0.22 0.00 0.00 54.13 54.90 1jhe s LEU 78 Cb -0.20 -2.30 0.30 0.00 0.50 0.00 0.00 46.19 44.49 1jhe s LEU 78 CO 0.20 0.23 1.14 1.33 -1.32 0.00 0.00 176.35 177.92 1jhe n VAL 79 N 2.87 0.82 0.00 1.68 0.24 -0.74 0.28 118.33 123.48 1jhe n VAL 79 Ca -0.15 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 1jhe n VAL 79 Cb 0.53 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1jhe n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhe n GLY 80 N -0.31 0.53 3.68 7.63 0.00 -1.26 -2.35 105.19 113.12 1jhe n GLY 80 Ca 0.09 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.67 1jhe n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jhe s ARG 81 N -0.62 2.10 -0.04 1.61 0.52 -1.26 -1.31 118.95 119.94 1jhe s ARG 81 Ca 0.00 -1.96 -0.04 0.00 -0.52 0.00 0.00 55.73 53.21 1jhe s ARG 81 Cb 0.00 -1.83 0.01 0.00 0.52 0.00 0.00 34.95 33.65 1jhe s ARG 81 CO 0.00 -0.08 0.11 0.54 0.02 0.00 0.00 175.30 175.89 1jhe s VAL 82 N -2.65 -0.00 -0.04 3.52 0.11 -1.05 -4.85 120.40 115.44 1jhe s VAL 82 Ca 0.38 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 59.21 1jhe s VAL 82 Cb 0.06 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 1jhe s VAL 82 CO 0.20 0.00 0.68 0.00 -3.33 0.00 0.00 175.10 172.65 1jhe s ALA 83 N 0.11 3.38 -0.94 1.54 0.00 -1.17 -1.91 121.76 122.76 1jhe s ALA 83 Ca -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 1jhe s ALA 83 Cb -0.01 -2.90 0.33 0.00 0.00 0.00 0.00 23.12 20.53 1jhe s ALA 83 CO -0.00 -0.03 1.70 0.00 0.00 0.00 0.00 175.76 177.43 1jhe n ALA 84 N 3.45 5.88 0.00 0.00 0.00 0.95 -1.29 120.51 129.50 1jhe n ALA 84 Ca -0.03 -4.59 0.00 0.00 0.00 0.00 0.00 53.44 48.82 1jhe n ALA 84 Cb 0.51 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1jhe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jhe n GLY 85 N -0.12 -0.72 3.64 0.00 0.00 -1.26 0.92 105.19 107.65 1jhe n GLY 85 Ca 0.45 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 1jhe n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jhe s GLU 86 N -0.22 3.91 -0.15 1.61 -6.30 -1.26 -4.90 118.70 111.39 1jhe s GLU 86 Ca 0.00 1.68 -0.42 0.00 -2.50 0.00 0.00 54.97 53.73 1jhe s GLU 86 Cb 0.00 -3.98 -0.20 0.00 0.00 0.00 0.00 34.13 29.95 1jhe s GLU 86 CO 0.00 -1.15 1.26 -0.35 0.02 0.00 0.00 175.26 175.04 1jhe n PRO 87 N 7.43 0.11 -4.11 4.30 -0.04 -1.26 -4.89 135.00 136.55 1jhe n PRO 87 Ca 0.18 0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.39 1jhe n PRO 87 Cb 0.45 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 1jhe n PRO 87 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1jhe s LEU 88 N 1.03 3.62 0.55 1.53 2.34 -0.89 -4.77 118.68 122.08 1jhe s LEU 88 Ca 0.95 -0.16 -0.15 0.00 0.06 0.00 0.00 54.13 54.83 1jhe s LEU 88 Cb -1.31 -2.29 -0.06 0.00 -0.56 0.00 0.00 46.19 41.97 1jhe s LEU 88 CO 0.64 0.13 1.00 -2.16 -1.06 0.00 0.00 176.35 174.90 1jhe s PRO 89 N -2.66 3.78 -0.30 1.48 0.04 -1.26 0.15 135.00 136.23 1jhe s PRO 89 Ca 0.28 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.05 1jhe s PRO 89 Cb -0.11 -2.11 0.19 0.00 0.04 0.00 0.00 34.50 32.51 1jhe s PRO 89 CO 0.21 -0.41 1.28 0.00 0.04 0.00 0.00 177.00 178.12 1jhe s ALA 90 N -2.74 -2.38 -0.32 8.56 0.00 -0.26 -4.81 121.76 119.81 1jhe s ALA 90 Ca 0.58 1.87 -0.05 0.00 0.00 0.00 0.00 51.96 54.36 1jhe s ALA 90 Cb -0.11 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.22 1jhe s ALA 90 CO 0.38 -0.22 0.07 -0.65 0.00 0.00 0.00 175.76 175.33 1jhe s GLN 91 N 0.58 2.72 0.20 0.00 -0.21 -1.26 -4.88 119.66 116.81 1jhe s GLN 91 Ca -0.01 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 53.97 1jhe s GLN 91 Cb -0.04 -3.36 -0.08 0.00 1.00 0.00 0.00 33.01 30.53 1jhe s GLN 91 CO -0.12 -0.59 0.97 -1.58 -2.12 0.00 0.00 175.29 171.85 1jhe s TRP 92 N 1.40 3.87 -0.08 0.91 0.51 -1.26 -4.97 118.94 119.31 1jhe s TRP 92 Ca -0.01 1.84 -0.18 0.00 -2.12 0.00 0.00 56.10 55.62 1jhe s TRP 92 Cb -0.19 -3.06 0.04 0.00 -0.81 0.00 0.00 33.47 29.46 1jhe s TRP 92 CO 0.02 0.20 0.44 -3.38 -0.51 0.00 0.00 176.95 173.71 1jhe s HIS 93 N -0.74 -0.39 -0.27 -1.98 -3.43 -0.99 -5.01 115.29 102.48 1jhe s HIS 93 Ca 0.44 0.80 -0.38 0.00 -0.80 0.00 0.00 55.06 55.12 1jhe s HIS 93 Cb -0.26 0.19 -0.14 0.00 -1.43 0.00 0.00 32.58 30.94 1jhe s HIS 93 CO 0.32 -0.38 1.90 -0.89 -2.00 0.00 0.00 174.74 173.70 1jhe n ILE 94 N 1.79 0.33 -0.13 -5.38 -0.00 -1.26 -4.16 119.36 110.55 1jhe n ILE 94 Ca -0.18 -0.12 -0.17 0.00 -0.00 0.00 0.00 62.75 62.28 1jhe n ILE 94 Cb 0.56 -1.45 -0.12 0.00 -0.00 0.00 0.00 39.64 38.64 1jhe n ILE 94 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1jhe n GLU 95 N 6.44 0.63 -3.83 0.38 1.02 0.14 -4.97 120.64 120.46 1jhe n GLU 95 Ca 0.30 0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.53 1jhe n GLU 95 Cb 0.18 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1jhe n GLU 95 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1jhe s GLY 96 N -6.44 0.17 -0.08 0.62 0.00 -1.22 -4.98 107.32 95.38 1jhe s GLY 96 Ca -0.34 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1jhe s GLY 96 CO 0.58 0.58 -0.08 0.30 0.00 0.00 0.00 173.10 174.48 1jhe s HIS 97 N -2.57 1.31 -0.26 1.90 3.76 -1.26 -0.87 115.29 117.31 1jhe s HIS 97 Ca 0.16 -0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 1jhe s HIS 97 Cb -0.04 -1.06 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 1jhe s HIS 97 CO 0.08 -0.37 0.04 0.71 -0.85 0.00 0.00 174.74 174.35 1jhe s TYR 98 N 1.23 3.07 -1.20 1.40 2.02 0.12 -4.83 117.35 119.17 1jhe s TYR 98 Ca -0.04 -0.77 -0.21 0.00 -0.37 0.00 0.00 57.07 55.67 1jhe s TYR 98 Cb -0.14 -2.20 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 1jhe s TYR 98 CO -0.03 -0.49 1.89 1.04 -1.57 0.00 0.00 175.55 176.40 1jhe n GLN 99 N 4.87 1.98 -4.14 -0.62 1.13 -1.26 -0.46 117.38 118.88 1jhe n GLN 99 Ca -0.16 -2.63 -0.24 0.00 -1.94 0.00 0.00 57.00 52.03 1jhe n GLN 99 Cb 0.50 -3.63 -0.17 0.00 0.11 0.00 0.00 30.24 27.05 1jhe n GLN 99 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1jhe s VAL 100 N 9.10 0.87 -0.43 5.09 1.01 -1.26 -4.99 120.40 129.79 1jhe s VAL 100 Ca 0.64 -0.26 -0.32 0.00 0.00 0.00 0.00 61.98 62.05 1jhe s VAL 100 Cb 0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 36.38 35.41 1jhe s VAL 100 CO 0.12 0.32 2.30 -0.67 0.00 0.00 0.00 175.10 177.17 1jhe n ASP 101 N 4.46 2.11 0.00 3.32 4.64 -1.26 -4.55 116.55 125.27 1jhe n ASP 101 Ca -0.17 0.18 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 1jhe n ASP 101 Cb 0.51 -1.33 0.00 0.00 -1.04 0.00 0.00 41.12 39.26 1jhe n ASP 101 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1jhe n PRO 102 N 8.47 0.00 0.13 -0.67 -0.04 -1.26 -1.44 135.00 140.19 1jhe n PRO 102 Ca 0.42 0.40 0.05 0.00 -0.04 0.00 0.00 63.50 64.33 1jhe n PRO 102 Cb 0.30 -1.53 0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1jhe n PRO 102 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jhe h SER 103 N 0.00 0.00 -0.25 3.54 0.02 -1.89 0.07 113.55 115.03 1jhe h SER 103 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1jhe h SER 103 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1jhe h SER 103 CO 0.00 0.34 0.39 -0.07 -1.14 0.00 0.00 176.83 176.35 1jhe h LEU 104 N 0.00 0.00 -9.83 5.07 3.38 -1.63 -3.40 115.31 108.89 1jhe h LEU 104 Ca -0.03 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.31 1jhe h LEU 104 Cb 1.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1jhe h LEU 104 CO 0.04 0.00 -0.53 -0.36 0.09 0.00 0.00 178.44 177.68 1jhe s PHE 105 N -4.44 3.43 -0.24 1.13 0.40 -1.24 -5.08 117.98 111.94 1jhe s PHE 105 Ca -0.04 0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1jhe s PHE 105 Cb 0.13 -1.72 0.07 0.00 0.51 0.00 0.00 43.02 42.01 1jhe s PHE 105 CO 0.45 0.57 0.02 0.15 0.70 0.00 0.00 175.22 177.12 1jhe s LYS 106 N -2.47 0.98 0.91 0.44 3.01 -1.26 -2.66 119.74 118.69 1jhe s LYS 106 Ca 0.33 -0.78 -0.11 0.00 -1.01 0.00 0.00 55.97 54.41 1jhe s LYS 106 Cb -0.13 -2.25 0.14 0.00 -1.01 0.00 0.00 37.83 34.58 1jhe s LYS 106 CO 0.26 -0.72 1.12 -2.14 0.51 0.00 0.00 175.35 174.38 1jhe s PRO 107 N 1.64 1.05 0.51 -1.68 0.02 -1.26 -4.96 135.00 130.32 1jhe s PRO 107 Ca 0.00 1.33 -0.21 0.00 0.02 0.00 0.00 61.00 62.15 1jhe s PRO 107 Cb -0.18 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1jhe s PRO 107 CO -0.12 -2.53 0.74 0.09 -0.33 0.00 0.00 177.00 174.85 1jhe n ASN 108 N -4.15 -0.06 -4.74 2.53 4.13 -1.09 -4.82 115.26 107.08 1jhe n ASN 108 Ca 0.10 0.86 -0.40 0.00 1.68 0.00 0.00 54.58 56.82 1jhe n ASN 108 Cb 0.53 -1.25 -0.05 0.00 -1.54 0.00 0.00 39.78 37.47 1jhe n ASN 108 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jhe s ALA 109 N -1.52 3.31 -0.25 5.41 0.00 0.01 -4.33 121.76 124.40 1jhe s ALA 109 Ca 0.68 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 1jhe s ALA 109 Cb -0.50 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.37 1jhe s ALA 109 CO 0.54 0.00 -0.24 -0.25 0.00 0.00 0.00 175.76 175.81 1jhe n ASP 110 N 2.97 2.04 -3.67 0.00 10.43 0.84 -4.74 116.55 124.43 1jhe n ASP 110 Ca -0.00 -0.04 -0.13 0.00 2.57 0.00 0.00 54.79 57.18 1jhe n ASP 110 Cb 0.50 -0.47 -0.06 0.00 1.84 0.00 0.00 41.12 42.93 1jhe n ASP 110 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1jhe s PHE 111 N -2.49 0.97 0.11 1.24 -0.71 -0.96 -4.32 117.98 111.82 1jhe s PHE 111 Ca -0.34 -1.20 0.08 0.00 -1.04 0.00 0.00 56.93 54.43 1jhe s PHE 111 Cb 0.10 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1jhe s PHE 111 CO 0.55 -0.96 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.76 1jhe s LEU 112 N -3.18 2.32 -0.02 -1.99 1.43 0.14 -1.34 118.68 116.05 1jhe s LEU 112 Ca 0.31 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1jhe s LEU 112 Cb 0.01 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.46 1jhe s LEU 112 CO 0.16 0.01 -0.00 -0.76 0.23 0.00 0.00 176.35 175.99 1jhe s LEU 113 N -2.03 1.44 -0.20 1.79 1.43 -0.81 -1.79 118.68 118.50 1jhe s LEU 113 Ca 0.07 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 1jhe s LEU 113 Cb -0.09 -0.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.98 1jhe s LEU 113 CO 0.04 -0.06 1.14 -0.60 0.23 0.00 0.00 176.35 177.10 1jhe s ARG 114 N 0.65 4.24 0.40 1.70 3.52 -0.43 -0.28 118.95 128.75 1jhe s ARG 114 Ca -0.06 1.49 -0.24 0.00 -0.13 0.00 0.00 55.73 56.78 1jhe s ARG 114 Cb -0.09 -3.70 -0.09 0.00 -1.56 0.00 0.00 34.95 29.52 1jhe s ARG 114 CO -0.01 -0.67 1.10 0.08 -0.81 0.00 0.00 175.30 174.98 1jhe s VAL 115 N 3.35 3.49 -0.20 7.11 1.01 0.16 -2.53 120.40 132.78 1jhe s VAL 115 Ca 0.49 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.62 1jhe s VAL 115 Cb -0.18 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1jhe s VAL 115 CO 0.10 0.05 0.05 -0.55 0.00 0.00 0.00 175.10 174.75 1jhe s SER 116 N -1.39 2.94 0.00 3.32 0.15 -0.80 -0.62 113.70 117.30 1jhe s SER 116 Ca 0.57 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1jhe s SER 116 Cb -0.26 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1jhe s SER 116 CO 0.32 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1jhe n GLY 117 N 5.07 2.89 0.46 9.45 0.00 -1.26 -0.03 105.19 121.76 1jhe n GLY 117 Ca -0.08 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 43.99 1jhe n GLY 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jhe n MET 118 N -1.23 2.61 -0.04 1.61 2.81 -1.08 -2.71 117.12 119.09 1jhe n MET 118 Ca 0.00 -2.25 0.12 0.00 -1.81 0.00 0.00 57.70 53.76 1jhe n MET 118 Cb 0.00 -1.41 0.54 0.00 -0.71 0.00 0.00 33.22 31.63 1jhe n MET 118 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1jhe h SER 119 N 1.12 0.29 -0.60 7.83 4.64 0.22 -2.44 113.55 124.61 1jhe h SER 119 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jhe h SER 119 Cb 0.93 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1jhe h SER 119 CO 0.06 0.18 0.00 0.23 -0.87 0.00 0.00 176.83 176.43 1jhe n MET 120 N -4.46 2.67 0.19 4.77 2.00 -1.24 -0.94 117.12 120.10 1jhe n MET 120 Ca 0.08 -2.49 0.17 0.00 0.00 0.00 0.00 57.70 55.47 1jhe n MET 120 Cb 0.37 -1.51 0.71 0.00 0.00 0.00 0.00 33.22 32.79 1jhe n MET 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1jhe h LYS 121 N 3.99 0.00 0.00 0.03 2.10 -1.19 -2.24 116.57 119.26 1jhe h LYS 121 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1jhe h LYS 121 Cb 0.95 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1jhe h LYS 121 CO 0.00 0.00 -0.13 -0.44 -2.00 0.00 0.00 179.45 176.88 1jhe h ASP 122 N 0.00 0.00 -0.46 7.07 3.32 -1.58 -2.57 116.42 122.19 1jhe h ASP 122 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1jhe h ASP 122 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1jhe h ASP 122 CO -0.00 0.13 0.00 2.30 -1.72 0.00 0.00 179.24 179.94 1jhe n ILE 123 N -3.23 2.60 -0.40 0.35 -5.35 -0.85 -4.94 119.36 107.54 1jhe n ILE 123 Ca 0.01 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 1jhe n ILE 123 Cb 0.42 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1jhe n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jhe n GLY 124 N 0.21 0.90 3.64 3.28 0.00 -0.97 -5.03 105.19 107.22 1jhe n GLY 124 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1jhe n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhe s ILE 125 N -2.90 4.68 0.04 -0.61 1.01 -1.21 -4.97 121.20 117.24 1jhe s ILE 125 Ca 0.00 1.71 0.05 0.00 0.00 0.00 0.00 60.65 62.41 1jhe s ILE 125 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1jhe s ILE 125 CO 0.00 -0.26 -0.08 -0.04 0.00 0.00 0.00 174.94 174.56 1jhe s MET 126 N 3.22 2.39 0.16 2.79 -1.94 -1.26 -2.64 119.30 122.03 1jhe s MET 126 Ca 0.41 -0.84 -0.34 0.00 -1.71 0.00 0.00 55.69 53.21 1jhe s MET 126 Cb -0.14 -2.42 -0.14 0.00 2.01 0.00 0.00 34.83 34.14 1jhe s MET 126 CO 0.10 0.57 1.57 -3.47 -0.01 0.00 0.00 175.02 173.77 1jhe n ASP 127 N 1.24 3.07 0.00 3.03 2.03 -1.10 -0.26 116.55 124.56 1jhe n ASP 127 Ca -0.14 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.25 1jhe n ASP 127 Cb 0.52 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1jhe n ASP 127 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhe n GLY 128 N 3.35 2.74 3.80 0.27 0.00 0.21 -4.91 105.19 110.65 1jhe n GLY 128 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1jhe n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jhe s ASP 129 N -1.35 5.76 -0.21 1.61 -0.00 0.64 -4.66 116.67 118.45 1jhe s ASP 129 Ca 0.00 1.85 -0.14 0.00 -0.00 0.00 0.00 52.55 54.26 1jhe s ASP 129 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 1jhe s ASP 129 CO 0.00 -1.18 0.33 -0.76 -0.00 0.00 0.00 175.17 173.55 1jhe s LEU 130 N -4.44 4.14 -0.29 1.23 1.43 0.44 0.38 118.68 121.58 1jhe s LEU 130 Ca 0.64 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 1jhe s LEU 130 Cb -0.17 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1jhe s LEU 130 CO 0.36 -0.04 0.24 -0.22 0.23 0.00 0.00 176.35 176.92 1jhe s LEU 131 N 1.25 4.10 0.07 1.79 2.96 0.61 -0.75 118.68 128.72 1jhe s LEU 131 Ca 0.15 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 1jhe s LEU 131 Cb -0.14 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1jhe s LEU 131 CO 0.07 -0.11 0.93 0.00 -1.32 0.00 0.00 176.35 175.92 1jhe s ALA 132 N 1.83 3.24 -0.01 5.97 0.00 0.14 -1.93 121.76 131.01 1jhe s ALA 132 Ca 0.09 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1jhe s ALA 132 Cb -0.16 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1jhe s ALA 132 CO 0.11 -0.06 -0.06 0.08 0.00 0.00 0.00 175.76 175.82 1jhe s VAL 133 N 0.24 0.50 -0.26 0.00 1.01 -0.45 -2.07 120.40 119.37 1jhe s VAL 133 Ca 0.47 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1jhe s VAL 133 Cb -0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1jhe s VAL 133 CO 0.28 0.15 0.16 -2.28 0.00 0.00 0.00 175.10 173.42 1jhe s HIS 134 N -0.04 3.23 -0.60 5.22 5.65 -0.72 -0.11 115.29 127.93 1jhe s HIS 134 Ca 0.01 0.09 -0.27 0.00 0.25 0.00 0.00 55.06 55.14 1jhe s HIS 134 Cb -0.04 -2.33 -0.02 0.00 -1.18 0.00 0.00 32.58 29.02 1jhe s HIS 134 CO -0.00 -0.11 1.85 0.21 -0.65 0.00 0.00 174.74 176.04 1jhe s LYS 135 N 1.52 2.66 0.13 2.88 2.20 -1.26 -1.42 119.74 126.44 1jhe s LYS 135 Ca 0.07 0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 56.30 1jhe s LYS 135 Cb -0.15 -4.38 -0.04 0.00 -1.51 0.00 0.00 37.83 31.76 1jhe s LYS 135 CO 0.08 -2.69 0.08 -0.08 -0.36 0.00 0.00 175.35 172.38 1jhe s THR 136 N 8.96 0.11 -0.34 3.43 -1.32 -1.26 -5.00 115.64 120.23 1jhe s THR 136 Ca 0.67 -1.83 0.05 0.00 -1.21 0.00 0.00 61.69 59.38 1jhe s THR 136 Cb -0.13 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.85 1jhe s THR 136 CO 0.21 -0.50 0.30 0.00 -2.21 0.00 0.00 174.62 172.43 1jhe n GLN 137 N -0.09 4.34 -5.05 7.08 1.13 -1.26 -3.70 117.38 119.83 1jhe n GLN 137 Ca -0.07 -0.14 -0.31 0.00 -1.94 0.00 0.00 57.00 54.54 1jhe n GLN 137 Cb 0.63 -0.81 -0.17 0.00 0.11 0.00 0.00 30.24 30.00 1jhe n GLN 137 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1jhe s ASP 138 N -1.34 2.91 0.05 1.08 -4.77 -1.26 -4.83 116.67 108.51 1jhe s ASP 138 Ca 0.03 -0.53 -0.06 0.00 -3.30 0.00 0.00 52.55 48.69 1jhe s ASP 138 Cb 0.04 -1.33 -0.01 0.00 -1.09 0.00 0.00 42.92 40.53 1jhe s ASP 138 CO 0.20 0.13 0.11 0.68 0.70 0.00 0.00 175.17 176.98 1jhe s VAL 139 N 0.46 0.15 0.13 2.11 -7.23 -1.26 -5.04 120.40 109.71 1jhe s VAL 139 Ca -0.17 -1.22 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1jhe s VAL 139 Cb -0.17 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1jhe s VAL 139 CO 0.07 -0.67 -0.04 0.00 -0.31 0.00 0.00 175.10 174.14 1jhe s ARG 140 N -3.16 2.32 0.78 4.82 1.70 -1.26 -5.07 118.95 119.08 1jhe s ARG 140 Ca -0.00 -1.02 -0.13 0.00 -0.47 0.00 0.00 55.73 54.10 1jhe s ARG 140 Cb 0.02 -2.37 -0.12 0.00 -0.57 0.00 0.00 34.95 31.91 1jhe s ARG 140 CO -0.07 0.49 -0.63 0.09 -1.08 0.00 0.00 175.30 174.10 1jhe n ASN 141 N 0.36 -4.72 0.00 -2.89 4.13 -1.26 -2.07 115.26 108.81 1jhe n ASN 141 Ca -0.11 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1jhe n ASN 141 Cb 0.53 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1jhe n ASN 141 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jhe n GLY 142 N 2.73 1.29 3.84 7.41 0.00 -0.94 -4.95 105.19 114.57 1jhe n GLY 142 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1jhe n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jhe s GLN 143 N 0.00 0.00 -0.16 1.61 -0.21 -0.88 -4.73 119.66 115.29 1jhe s GLN 143 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.01 1jhe s GLN 143 Cb 0.00 -1.77 0.02 0.00 1.00 0.00 0.00 33.01 32.26 1jhe s GLN 143 CO 0.00 -2.85 -0.16 0.08 -2.12 0.00 0.00 175.29 170.25 1jhe s VAL 144 N -3.68 1.74 0.41 1.09 1.01 -1.26 -0.91 120.40 118.79 1jhe s VAL 144 Ca 0.74 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1jhe s VAL 144 Cb -0.05 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1jhe s VAL 144 CO 0.54 0.47 0.04 0.68 0.00 0.00 0.00 175.10 176.83 1jhe s VAL 145 N 1.42 1.30 -0.35 2.92 -7.23 -0.48 -0.64 120.40 117.34 1jhe s VAL 145 Ca 0.05 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1jhe s VAL 145 Cb -0.13 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.25 1jhe s VAL 145 CO -0.11 0.00 0.12 -0.69 -0.31 0.00 0.00 175.10 174.10 1jhe s VAL 146 N -3.01 3.71 0.00 1.32 1.01 -1.01 -2.00 120.40 120.42 1jhe s VAL 146 Ca 0.26 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1jhe s VAL 146 Cb 0.06 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1jhe s VAL 146 CO 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 175.10 174.93 1jhe s ALA 147 N 1.37 3.05 -0.08 5.51 0.00 0.97 -1.23 121.76 131.35 1jhe s ALA 147 Ca -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1jhe s ALA 147 Cb -0.20 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1jhe s ALA 147 CO 0.02 0.62 -0.12 0.50 0.00 0.00 0.00 175.76 176.77 1jhe s ARG 148 N -1.42 2.85 -0.21 0.00 3.52 -0.79 -0.55 118.95 122.36 1jhe s ARG 148 Ca 0.17 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 55.07 1jhe s ARG 148 Cb -0.11 -2.51 0.07 0.00 -1.56 0.00 0.00 34.95 30.84 1jhe s ARG 148 CO 0.08 0.50 0.09 0.42 -0.81 0.00 0.00 175.30 175.58 1jhe s ILE 149 N -0.39 0.05 -1.09 4.11 1.01 0.39 -2.84 121.20 122.44 1jhe s ILE 149 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 1jhe s ILE 149 Cb -0.12 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1jhe s ILE 149 CO 0.02 -0.39 0.92 0.47 0.00 0.00 0.00 174.94 175.96 1jhe n ASP 150 N 5.22 -3.01 -0.94 3.58 10.43 -1.26 -1.36 116.55 129.20 1jhe n ASP 150 Ca -0.07 -0.52 -0.11 0.00 2.57 0.00 0.00 54.79 56.66 1jhe n ASP 150 Cb 0.47 -4.53 -0.05 0.00 1.84 0.00 0.00 41.12 38.85 1jhe n ASP 150 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1jhe n ASP 151 N -2.76 -4.83 -4.34 -2.24 9.92 -1.26 -4.91 116.55 106.13 1jhe n ASP 151 Ca -0.19 0.27 -0.39 0.00 -0.53 0.00 0.00 54.79 53.95 1jhe n ASP 151 Cb 0.62 -3.76 -0.12 0.00 -0.64 0.00 0.00 41.12 37.22 1jhe n ASP 151 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jhe s ALA 152 N -1.88 3.19 0.27 2.24 0.00 -0.47 -1.10 121.76 124.01 1jhe s ALA 152 Ca 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 51.96 50.17 1jhe s ALA 152 Cb 0.00 -2.45 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1jhe s ALA 152 CO 0.00 -1.32 0.59 0.08 0.00 0.00 0.00 175.76 175.11 1jhe s VAL 153 N 1.50 4.91 0.03 0.00 1.01 0.39 -0.46 120.40 127.79 1jhe s VAL 153 Ca 0.01 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.20 1jhe s VAL 153 Cb -0.19 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1jhe s VAL 153 CO 0.05 -0.18 0.55 0.28 0.00 0.00 0.00 175.10 175.80 1jhe s THR 154 N -1.95 0.02 -0.12 3.92 -1.32 0.29 -2.10 115.64 114.39 1jhe s THR 154 Ca 0.48 -0.19 0.02 0.00 -1.21 0.00 0.00 61.69 60.79 1jhe s THR 154 Cb -0.11 -0.96 -0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1jhe s THR 154 CO 0.24 -0.10 -0.20 0.54 -2.21 0.00 0.00 174.62 172.88 1jhe s VAL 155 N -2.23 2.32 0.20 5.08 0.11 -0.41 -0.02 120.40 125.44 1jhe s VAL 155 Ca -0.06 -0.91 -0.23 0.00 -2.93 0.00 0.00 61.98 57.85 1jhe s VAL 155 Cb -0.01 -1.93 0.06 0.00 -1.53 0.00 0.00 36.38 32.97 1jhe s VAL 155 CO 0.00 0.54 0.94 0.00 -3.33 0.00 0.00 175.10 173.25 1jhe s ALA 156 N 0.54 -1.51 -0.12 1.54 0.00 -0.85 -4.70 121.76 116.67 1jhe s ALA 156 Ca -0.12 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 1jhe s ALA 156 Cb -0.17 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1jhe s ALA 156 CO 0.04 -1.04 0.84 0.50 0.00 0.00 0.00 175.76 176.10 1jhe s ARG 157 N -3.02 4.38 0.75 0.00 3.52 0.18 -1.39 118.95 123.37 1jhe s ARG 157 Ca 0.14 1.08 -0.11 0.00 -0.13 0.00 0.00 55.73 56.72 1jhe s ARG 157 Cb -0.02 -3.53 0.04 0.00 -1.56 0.00 0.00 34.95 29.88 1jhe s ARG 157 CO 0.04 -0.20 1.08 -1.17 -0.81 0.00 0.00 175.30 174.24 1jhe s LEU 158 N 1.67 2.90 -0.37 -0.88 2.96 -0.09 0.38 118.68 125.25 1jhe s LEU 158 Ca 0.41 1.56 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 1jhe s LEU 158 Cb -0.18 -4.30 0.31 0.00 0.50 0.00 0.00 46.19 42.53 1jhe s LEU 158 CO 0.16 -1.78 1.26 1.17 -1.32 0.00 0.00 176.35 175.84 1jhe n LYS 159 N -3.34 0.40 -2.23 1.98 4.81 -0.61 -2.20 118.16 116.97 1jhe n LYS 159 Ca 0.08 -1.08 -0.41 0.00 -0.87 0.00 0.00 58.31 56.03 1jhe n LYS 159 Cb 0.54 -0.49 -0.03 0.00 0.02 0.00 0.00 35.03 35.08 1jhe n LYS 159 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1jhe s LYS 160 N 0.17 4.44 -0.28 1.64 2.20 -1.26 -2.70 119.74 123.95 1jhe s LYS 160 Ca 0.23 2.09 0.01 0.00 -0.36 0.00 0.00 55.97 57.94 1jhe s LYS 160 Cb 0.27 -3.11 0.17 0.00 -1.51 0.00 0.00 37.83 33.65 1jhe s LYS 160 CO -0.15 -0.07 0.47 -0.65 -0.36 0.00 0.00 175.35 174.59 1jhe s GLN 161 N -1.63 0.46 6.28 4.03 -0.21 0.32 -4.98 119.66 123.93 1jhe s GLN 161 Ca 0.48 0.46 0.00 0.00 0.02 0.00 0.00 55.36 56.32 1jhe s GLN 161 Cb -0.37 -0.08 0.00 0.00 1.00 0.00 0.00 33.01 33.55 1jhe s GLN 161 CO 0.49 -0.88 0.00 0.41 -2.12 0.00 0.00 175.29 173.19 1jhe n GLY 162 N 5.38 1.63 0.61 3.09 0.00 -1.26 -2.18 105.19 112.46 1jhe n GLY 162 Ca 0.00 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.64 1jhe n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jhe n ASN 163 N 5.20 1.88 -4.86 1.61 3.02 -1.26 -4.89 115.26 115.96 1jhe n ASN 163 Ca 0.00 -1.65 -0.35 0.00 -0.03 0.00 0.00 54.58 52.55 1jhe n ASN 163 Cb 0.00 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 1jhe n ASN 163 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jhe s LYS 164 N -1.93 3.35 -0.09 3.52 1.02 -0.92 0.54 119.74 125.22 1jhe s LYS 164 Ca 0.35 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 56.05 1jhe s LYS 164 Cb 0.20 -3.07 0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1jhe s LYS 164 CO 0.31 0.71 -0.04 0.08 -0.92 0.00 0.00 175.35 175.49 1jhe s VAL 165 N -1.17 0.73 -0.21 3.17 1.01 0.32 -0.53 120.40 123.72 1jhe s VAL 165 Ca 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1jhe s VAL 165 Cb -0.12 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1jhe s VAL 165 CO 0.12 0.32 0.14 -1.61 0.00 0.00 0.00 175.10 174.06 1jhe s GLU 166 N 1.78 4.17 -0.46 2.72 2.02 -1.10 0.27 118.70 128.09 1jhe s GLU 166 Ca 0.04 -0.22 -0.08 0.00 0.02 0.00 0.00 54.97 54.73 1jhe s GLU 166 Cb -0.13 -3.44 0.12 0.00 0.10 0.00 0.00 34.13 30.78 1jhe s GLU 166 CO -0.06 0.25 0.32 -0.51 0.02 0.00 0.00 175.26 175.28 1jhe s LEU 167 N 0.49 5.61 0.17 1.80 1.43 -0.99 -1.57 118.68 125.61 1jhe s LEU 167 Ca 0.08 -1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 51.05 1jhe s LEU 167 Cb -0.12 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 1jhe s LEU 167 CO -0.01 -0.66 0.62 -0.76 0.23 0.00 0.00 176.35 175.77 1jhe s LEU 168 N 1.28 4.36 0.57 1.79 1.43 0.16 -2.09 118.68 126.18 1jhe s LEU 168 Ca 0.07 1.22 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 1jhe s LEU 168 Cb -0.25 -3.34 0.06 0.00 0.03 0.00 0.00 46.19 42.69 1jhe s LEU 168 CO -0.02 0.10 0.79 -2.16 0.23 0.00 0.00 176.35 175.29 1jhe s PRO 169 N -1.86 2.34 -0.63 1.29 0.04 -1.26 -0.65 135.00 134.28 1jhe s PRO 169 Ca 0.39 -1.15 0.06 0.00 0.04 0.00 0.00 61.00 60.33 1jhe s PRO 169 Cb -0.16 -2.54 0.21 0.00 0.04 0.00 0.00 34.50 32.04 1jhe s PRO 169 CO 0.20 -0.83 0.58 0.39 0.04 0.00 0.00 177.00 177.38 1jhe n GLU 170 N -2.33 1.83 0.00 4.56 -0.58 -0.11 -4.91 120.64 119.09 1jhe n GLU 170 Ca 0.11 -4.32 0.00 0.00 -0.42 0.00 0.00 57.16 52.54 1jhe n GLU 170 Cb 0.60 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1jhe n GLU 170 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1jhe n ASN 171 N 1.59 0.00 0.13 1.62 2.85 -1.08 -1.62 115.26 118.74 1jhe n ASN 171 Ca 0.25 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.70 1jhe n ASN 171 Cb 0.40 0.00 0.19 0.00 1.24 0.00 0.00 39.78 41.62 1jhe n ASN 171 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1jhe h SER 172 N 0.00 0.09 0.31 1.20 4.64 -1.94 -3.03 113.55 114.82 1jhe h SER 172 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1jhe h SER 172 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1jhe h SER 172 CO 0.00 0.62 0.00 -0.62 -0.87 0.00 0.00 176.83 175.96 1jhe n GLU 173 N -3.89 0.24 -4.29 4.77 -0.58 -1.26 -4.75 120.64 110.87 1jhe n GLU 173 Ca -0.02 0.13 -0.23 0.00 -0.42 0.00 0.00 57.16 56.62 1jhe n GLU 173 Cb 0.57 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.86 1jhe n GLU 173 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1jhe s PHE 174 N -2.57 2.62 0.23 -0.32 0.08 -1.15 -5.15 117.98 111.73 1jhe s PHE 174 Ca 0.16 -0.31 0.11 0.00 0.12 0.00 0.00 56.93 57.00 1jhe s PHE 174 Cb 0.11 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.20 1jhe s PHE 174 CO 0.25 0.55 -0.20 0.15 -0.10 0.00 0.00 175.22 175.87 1jhe s LYS 175 N -3.69 1.54 1.40 0.44 -0.14 -1.26 -4.91 119.74 113.11 1jhe s LYS 175 Ca 0.33 -1.63 -0.21 0.00 -1.36 0.00 0.00 55.97 53.10 1jhe s LYS 175 Cb -0.04 -1.65 0.36 0.00 -1.68 0.00 0.00 37.83 34.82 1jhe s LYS 175 CO 0.20 0.32 0.93 -1.25 -0.76 0.00 0.00 175.35 174.79 1jhe s PRO 176 N -3.19 -2.77 -0.32 -1.68 0.04 -1.26 -4.74 135.00 121.08 1jhe s PRO 176 Ca 0.24 0.27 -0.02 0.00 0.04 0.00 0.00 61.00 61.53 1jhe s PRO 176 Cb -0.05 -1.38 0.12 0.00 0.04 0.00 0.00 34.50 33.22 1jhe s PRO 176 CO 0.11 -4.80 0.18 0.42 0.04 0.00 0.00 177.00 172.95 1jhe s ILE 177 N -2.25 0.02 0.36 0.56 1.01 -0.89 -4.97 121.20 115.05 1jhe s ILE 177 Ca 0.68 -1.23 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 1jhe s ILE 177 Cb -0.15 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 1jhe s ILE 177 CO 0.59 -0.85 1.17 -0.69 0.00 0.00 0.00 174.94 175.16 1jhe s VAL 178 N 1.58 3.18 -0.11 2.92 1.01 -1.26 -2.34 120.40 125.38 1jhe s VAL 178 Ca 0.14 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 1jhe s VAL 178 Cb -0.19 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1jhe s VAL 178 CO -0.17 0.16 -0.01 -0.69 0.00 0.00 0.00 175.10 174.39 1jhe s VAL 179 N -1.32 0.57 -0.28 2.92 1.01 0.14 -4.95 120.40 118.49 1jhe s VAL 179 Ca 0.53 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 1jhe s VAL 179 Cb -0.32 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1jhe s VAL 179 CO 0.41 0.17 0.76 -0.62 0.00 0.00 0.00 175.10 175.83 1jhe s ASP 180 N 1.88 6.68 0.49 3.32 -1.08 -1.26 -0.52 116.67 126.17 1jhe s ASP 180 Ca 0.03 0.74 0.20 0.00 -0.52 0.00 0.00 52.55 53.01 1jhe s ASP 180 Cb -0.13 -2.40 1.26 0.00 -1.46 0.00 0.00 42.92 40.19 1jhe s ASP 180 CO -0.06 -0.55 2.06 -0.07 0.52 0.00 0.00 175.17 177.07 1jhe h LEU 181 N 9.30 0.00 -1.55 -1.34 3.38 -0.13 -1.76 115.31 123.21 1jhe h LEU 181 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1jhe h LEU 181 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1jhe h LEU 181 CO 0.86 0.13 -0.02 -2.11 0.09 0.00 0.00 178.44 177.39 1jhe n ARG 182 N -4.07 2.05 -0.07 1.13 1.85 -1.26 -4.14 116.66 112.16 1jhe n ARG 182 Ca -0.02 -1.55 -0.06 0.00 -1.00 0.00 0.00 57.85 55.22 1jhe n ARG 182 Cb 0.21 -1.47 -0.12 0.00 -1.05 0.00 0.00 32.46 30.03 1jhe n ARG 182 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1jhe n GLN 183 N 0.88 1.41 -4.06 2.89 1.13 -0.90 -5.06 117.38 113.67 1jhe n GLN 183 Ca 0.16 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 55.08 1jhe n GLN 183 Cb 0.51 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 29.41 1jhe n GLN 183 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1jhe s GLN 184 N -2.45 1.57 -0.02 -1.09 0.00 -0.71 -5.05 119.66 111.90 1jhe s GLN 184 Ca -0.07 -1.44 -0.19 0.00 -0.00 0.00 0.00 55.36 53.65 1jhe s GLN 184 Cb 0.05 0.42 -0.05 0.00 0.00 0.00 0.00 33.01 33.43 1jhe s GLN 184 CO 0.63 -0.63 0.54 0.45 0.00 0.00 0.00 175.29 176.28 1jhe s SER 185 N -3.10 6.90 -0.09 12.60 0.15 -1.26 -4.49 113.70 124.41 1jhe s SER 185 Ca 0.28 1.07 0.01 0.00 0.70 0.00 0.00 55.95 58.01 1jhe s SER 185 Cb 0.01 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1jhe s SER 185 CO 0.12 0.14 -0.10 0.12 1.20 0.00 0.00 173.24 174.72 1jhe s PHE 186 N -0.30 1.51 -0.05 3.44 2.19 -1.26 -4.38 117.98 119.13 1jhe s PHE 186 Ca 0.28 -0.66 0.03 0.00 0.33 0.00 0.00 56.93 56.91 1jhe s PHE 186 Cb -0.17 -1.17 0.01 0.00 -1.31 0.00 0.00 43.02 40.37 1jhe s PHE 186 CO 0.15 -0.40 -0.14 0.99 1.83 0.00 0.00 175.22 177.66 1jhe s THR 187 N 1.14 1.23 -0.27 0.12 2.01 -1.13 -5.05 115.64 113.68 1jhe s THR 187 Ca -0.05 -0.57 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 1jhe s THR 187 Cb -0.14 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1jhe s THR 187 CO -0.02 0.37 0.72 -0.63 -0.69 0.00 0.00 174.62 174.37 1jhe s ILE 188 N 0.38 4.89 -0.02 1.82 -1.09 -1.26 -1.88 121.20 124.04 1jhe s ILE 188 Ca -0.10 1.21 0.12 0.00 -2.23 0.00 0.00 60.65 59.65 1jhe s ILE 188 Cb -0.14 -4.04 -0.20 0.00 -1.58 0.00 0.00 42.46 36.50 1jhe s ILE 188 CO 0.03 -0.09 0.86 -0.33 -1.23 0.00 0.00 174.94 174.17 1jhe h GLU 189 N 7.94 0.00 0.00 2.79 4.39 -1.40 -3.43 114.58 124.88 1jhe h GLU 189 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1jhe h GLU 189 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1jhe h GLU 189 CO 0.83 0.59 0.00 0.41 -1.16 0.00 0.00 179.01 179.68 1jhe n GLY 190 N 1.48 -1.26 3.29 -3.84 0.00 -1.19 -4.07 105.19 99.60 1jhe n GLY 190 Ca -0.11 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1jhe n GLY 190 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jhe s LEU 191 N 0.00 2.09 -0.33 0.99 2.96 -0.51 -2.41 118.68 121.47 1jhe s LEU 191 Ca 0.00 -0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 53.13 1jhe s LEU 191 Cb 0.00 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.33 1jhe s LEU 191 CO 0.00 0.27 1.23 0.00 -1.32 0.00 0.00 176.35 176.53 1jhe s ALA 192 N -0.30 3.36 -0.18 5.97 0.00 0.19 -1.75 121.76 129.05 1jhe s ALA 192 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 51.96 52.10 1jhe s ALA 192 Cb -0.13 -3.77 0.31 0.00 0.00 0.00 0.00 23.12 19.53 1jhe s ALA 192 CO 0.02 -1.78 1.20 1.33 0.00 0.00 0.00 175.76 176.53 1jhe n VAL 193 N 6.24 1.79 0.00 0.00 0.24 -0.88 -4.82 118.33 120.90 1jhe n VAL 193 Ca 0.14 -1.89 0.00 0.00 -2.04 0.00 0.00 64.34 60.55 1jhe n VAL 193 Cb 0.47 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1jhe n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhe n GLY 194 N -0.92 4.27 3.60 7.63 0.00 -1.24 -4.44 105.19 114.07 1jhe n GLY 194 Ca 0.15 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 1jhe n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhe s VAL 195 N -2.00 3.29 -0.02 1.61 1.01 -1.26 0.27 120.40 123.31 1jhe s VAL 195 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.24 1jhe s VAL 195 Cb 0.00 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1jhe s VAL 195 CO 0.00 -0.21 -0.03 -0.63 0.00 0.00 0.00 175.10 174.23 1jhe s ILE 196 N -1.94 0.33 -0.09 2.22 1.01 0.07 -4.92 121.20 117.87 1jhe s ILE 196 Ca 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1jhe s ILE 196 Cb -0.08 -0.33 0.04 0.00 0.01 0.00 0.00 42.46 42.10 1jhe s ILE 196 CO 0.17 0.13 0.08 -0.60 0.00 0.00 0.00 174.94 174.72 1jhe s ARG 197 N 0.40 -0.02 0.00 2.79 3.52 -1.26 -0.42 118.95 123.96 1jhe s ARG 197 Ca -0.04 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1jhe s ARG 197 Cb -0.07 -0.96 0.00 0.00 -1.56 0.00 0.00 34.95 32.36 1jhe s ARG 197 CO -0.01 -0.45 0.13 0.27 -0.81 0.00 0.00 175.30 174.43