#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqt s ARG 1070N 0.00 4.57 0.07 7.34 3.52 -1.26 -5.00 118.95 128.19 2rqt s ARG 1070Ca 0.00 1.17 0.06 0.00 -0.13 0.00 0.00 55.73 56.84 2rqt s ARG 1070Cb 0.00 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 2rqt s ARG 1070CO 0.00 0.43 -0.17 1.03 -0.81 0.00 0.00 175.30 175.77 2rqt s ARG 1071N -0.63 1.02 0.08 5.12 0.52 -1.26 -0.88 118.95 122.92 2rqt s ARG 1071Ca 0.38 -1.00 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 2rqt s ARG 1071Cb -0.22 -1.14 -0.03 0.00 0.52 0.00 0.00 34.95 34.08 2rqt s ARG 1071CO 0.26 0.27 -0.12 0.14 0.02 0.00 0.00 175.30 175.87 2rqt s VAL 1072N -1.10 1.00 -0.32 3.52 -7.23 0.81 -0.08 120.40 117.01 2rqt s VAL 1072Ca 0.03 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2rqt s VAL 1072Cb -0.09 -1.18 0.08 0.00 0.56 0.00 0.00 36.38 35.75 2rqt s VAL 1072CO 0.03 -0.40 0.01 -0.75 -0.31 0.00 0.00 175.10 173.68 2rqt s LYS 1073N -2.24 1.86 0.21 4.82 2.47 0.12 -1.08 119.74 125.90 2rqt s LYS 1073Ca 0.01 -1.65 -0.32 0.00 -1.56 0.00 0.00 55.97 52.45 2rqt s LYS 1073Cb -0.07 -3.14 -0.14 0.00 -1.46 0.00 0.00 37.83 33.03 2rqt s LYS 1073CO 0.01 -0.80 1.45 0.25 0.16 0.00 0.00 175.35 176.42 2rqt n THR 1074N 4.37 0.63 -0.01 3.43 -2.24 -0.69 0.33 114.28 120.09 2rqt n THR 1074Ca -0.04 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2rqt n THR 1074Cb 0.42 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 2rqt n THR 1074CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2rqt n ILE 1075N 2.37 0.60 -3.82 2.28 -5.35 0.57 -0.17 119.36 115.84 2rqt n ILE 1075Ca 0.14 -0.79 -0.12 0.00 -0.27 0.00 0.00 62.75 61.70 2rqt n ILE 1075Cb 0.30 0.71 -0.09 0.00 -1.74 0.00 0.00 39.64 38.81 2rqt n ILE 1075CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2rqt s TYR 1076N -0.60 -0.07 0.17 4.28 2.02 -1.09 -4.89 117.35 117.18 2rqt s TYR 1076Ca 0.00 0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.46 2rqt s TYR 1076Cb 0.00 0.02 -0.07 0.00 -0.40 0.00 0.00 41.96 41.51 2rqt s TYR 1076CO 0.00 -0.34 1.01 -0.51 -1.57 0.00 0.00 175.55 174.14 2rqt s ASP 1077N -1.36 7.45 -0.23 2.29 1.11 -1.26 -3.50 116.67 121.17 2rqt s ASP 1077Ca -0.14 1.95 -0.01 0.00 0.18 0.00 0.00 52.55 54.53 2rqt s ASP 1077Cb -0.06 -2.60 0.07 0.00 1.07 0.00 0.00 42.92 41.39 2rqt s ASP 1077CO 0.03 -0.06 0.01 0.00 1.18 0.00 0.00 175.17 176.33 2rqt s GLN 1079N 1.62 3.36 -0.15 0.00 1.11 -1.26 -2.04 119.66 122.30 2rqt s GLN 1079Ca -0.01 -1.67 -0.42 0.00 0.01 0.00 0.00 55.36 53.27 2rqt s GLN 1079Cb -0.18 -4.53 -0.20 0.00 -1.01 0.00 0.00 33.01 27.10 2rqt s GLN 1079CO -0.10 -1.60 1.26 0.00 0.01 0.00 0.00 175.29 174.86 2rqt n ALA 1080N 6.04 -2.73 -0.10 6.09 0.00 -1.25 -4.88 120.51 123.67 2rqt n ALA 1080Ca 0.08 0.56 -0.10 0.00 0.00 0.00 0.00 53.44 53.97 2rqt n ALA 1080Cb 0.46 -1.84 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 2rqt n ALA 1080CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rqt n ASP 1081N 2.41 0.05 -4.89 0.00 2.03 -1.26 -4.94 116.55 109.96 2rqt n ASP 1081Ca 0.23 -0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.22 2rqt n ASP 1081Cb 0.05 0.97 -0.05 0.00 -0.72 0.00 0.00 41.12 41.36 2rqt n ASP 1081CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2rqt s ASN 1082N -5.51 6.55 0.06 1.67 0.01 -1.26 -4.98 114.94 111.48 2rqt s ASN 1082Ca -0.10 0.70 0.23 0.00 -0.71 0.00 0.00 52.86 52.97 2rqt s ASN 1082Cb 0.06 -2.14 0.94 0.00 0.41 0.00 0.00 41.25 40.52 2rqt s ASN 1082CO 0.82 0.06 1.72 0.47 -1.51 0.00 0.00 177.10 178.67 2rqt n ASP 1083N 0.24 0.21 -0.96 -1.22 9.92 -1.26 -1.56 116.55 121.92 2rqt n ASP 1083Ca -0.03 0.53 0.10 0.00 -0.53 0.00 0.00 54.79 54.86 2rqt n ASP 1083Cb 0.52 -0.58 0.18 0.00 -0.64 0.00 0.00 41.12 40.60 2rqt n ASP 1083CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2rqt n ASP 1084N -1.71 3.17 -4.97 -2.24 2.03 -1.26 -4.97 116.55 106.60 2rqt n ASP 1084Ca 0.05 -1.91 -0.22 0.00 0.52 0.00 0.00 54.79 53.23 2rqt n ASP 1084Cb 0.28 -0.22 0.04 0.00 -0.72 0.00 0.00 41.12 40.50 2rqt n ASP 1084CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2rqt s GLU 1085N -1.28 2.50 -0.00 -0.67 2.12 -0.60 -0.82 118.70 119.94 2rqt s GLU 1085Ca 0.32 -0.70 0.06 0.00 0.36 0.00 0.00 54.97 55.01 2rqt s GLU 1085Cb 0.19 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 2rqt s GLU 1085CO 0.26 -0.79 -0.18 -1.17 -0.54 0.00 0.00 175.26 172.85 2rqt s LEU 1086N -4.83 2.56 -0.24 2.70 2.96 -0.67 -4.62 118.68 116.54 2rqt s LEU 1086Ca 0.58 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2rqt s LEU 1086Cb -0.10 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2rqt s LEU 1086CO 0.39 0.30 0.13 -0.89 -1.32 0.00 0.00 176.35 174.96 2rqt s THR 1087N -0.80 5.01 0.14 3.68 2.01 -1.26 -3.90 115.64 120.52 2rqt s THR 1087Ca 0.13 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.06 2rqt s THR 1087Cb -0.10 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2rqt s THR 1087CO 0.02 0.35 0.35 0.72 -0.69 0.00 0.00 174.62 175.38 2rqt s PHE 1088N 1.15 0.03 0.20 4.92 -0.12 -0.87 -4.98 117.98 118.32 2rqt s PHE 1088Ca 0.06 -0.39 0.10 0.00 -0.05 0.00 0.00 56.93 56.65 2rqt s PHE 1088Cb -0.14 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2rqt s PHE 1088CO 0.05 -0.72 -0.15 0.96 -0.05 0.00 0.00 175.22 175.31 2rqt s ILE 1089N -3.87 2.83 0.11 -4.49 -5.25 -1.26 -1.21 121.20 108.06 2rqt s ILE 1089Ca 0.08 -1.90 -0.31 0.00 -0.99 0.00 0.00 60.65 57.53 2rqt s ILE 1089Cb 0.02 -2.41 -0.09 0.00 2.95 0.00 0.00 42.46 42.93 2rqt s ILE 1089CO -0.07 -0.17 1.65 -1.83 -1.79 0.00 0.00 174.94 172.73 2rqt s GLU 1090N -2.92 4.19 0.00 0.37 4.04 -1.23 -2.45 118.70 120.69 2rqt s GLU 1090Ca 0.25 2.39 0.00 0.00 0.04 0.00 0.00 54.97 57.65 2rqt s GLU 1090Cb -0.08 -3.43 0.00 0.00 0.02 0.00 0.00 34.13 30.64 2rqt s GLU 1090CO 0.14 -0.71 0.00 0.41 -1.84 0.00 0.00 175.26 173.26 2rqt n GLY 1091N 3.95 1.23 3.89 -3.83 0.00 0.76 -4.92 105.19 106.27 2rqt n GLY 1091Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2rqt n GLY 1091CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rqt s GLU 1092N -0.07 3.69 -0.19 1.61 2.02 -1.03 -4.85 118.70 119.89 2rqt s GLU 1092Ca 0.00 0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.91 2rqt s GLU 1092Cb 0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 2rqt s GLU 1092CO 0.00 0.35 0.35 0.08 0.02 0.00 0.00 175.26 176.06 2rqt s VAL 1093N -1.82 5.24 -0.11 2.63 1.01 -1.26 -1.71 120.40 124.39 2rqt s VAL 1093Ca 0.44 0.62 0.02 0.00 0.00 0.00 0.00 61.98 63.06 2rqt s VAL 1093Cb -0.11 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2rqt s VAL 1093CO 0.24 0.30 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 2rqt s ILE 1094N 1.05 2.71 -0.26 2.22 1.01 -0.24 -0.22 121.20 127.46 2rqt s ILE 1094Ca 0.17 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 2rqt s ILE 1094Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2rqt s ILE 1094CO 0.07 0.55 0.32 -0.63 0.00 0.00 0.00 174.94 175.24 2rqt s ILE 1095N 0.18 5.22 -0.35 2.92 1.01 0.13 -0.13 121.20 130.17 2rqt s ILE 1095Ca -0.10 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 2rqt s ILE 1095Cb -0.16 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 2rqt s ILE 1095CO 0.06 0.20 1.48 -0.69 0.00 0.00 0.00 174.94 175.99 2rqt s VAL 1096N 1.85 3.85 -1.18 2.92 1.01 -0.06 -1.69 120.40 127.11 2rqt s VAL 1096Ca 0.13 0.90 0.15 0.00 0.00 0.00 0.00 61.98 63.16 2rqt s VAL 1096Cb -0.16 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2rqt s VAL 1096CO 0.10 -0.58 0.76 0.35 0.00 0.00 0.00 175.10 175.72 2rqt n THR 1097N 6.86 0.00 -3.71 3.92 -2.24 0.93 -4.39 114.28 115.65 2rqt n THR 1097Ca 0.18 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2rqt n THR 1097Cb 0.47 1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2rqt n THR 1097CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rqt s GLY 1098N -1.94 -0.29 -0.05 3.38 0.00 0.80 -4.93 107.32 104.28 2rqt s GLY 1098Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.22 2rqt s GLY 1098CO 0.43 0.90 -0.03 -0.54 0.00 0.00 0.00 173.10 173.86 2rqt s GLU 1099N -2.56 0.74 -0.00 2.90 8.01 -1.26 -0.04 118.70 126.48 2rqt s GLU 1099Ca 0.16 -0.03 0.07 0.00 0.01 0.00 0.00 54.97 55.18 2rqt s GLU 1099Cb 0.02 -0.87 -0.09 0.00 -4.31 0.00 0.00 34.13 28.89 2rqt s GLU 1099CO -0.01 -0.16 0.27 -0.85 0.01 0.00 0.00 175.26 174.52 2rqt n GLU 1100N 4.42 3.66 -2.05 1.61 0.28 -0.76 -4.89 120.64 122.91 2rqt n GLU 1100Ca -0.19 -0.01 -0.03 0.00 -0.16 0.00 0.00 57.16 56.76 2rqt n GLU 1100Cb 0.50 -0.91 0.01 0.00 1.43 0.00 0.00 31.44 32.47 2rqt n GLU 1100CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2rqt n ASP 1101N -1.30 -0.83 0.12 -1.84 2.03 0.33 -4.97 116.55 110.09 2rqt n ASP 1101Ca 0.01 -1.60 -0.22 0.00 0.52 0.00 0.00 54.79 53.51 2rqt n ASP 1101Cb 0.13 1.38 -0.15 0.00 -0.72 0.00 0.00 41.12 41.76 2rqt n ASP 1101CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2rqt h GLN 1102N 0.00 0.43 -0.24 -0.67 4.15 -2.02 -3.34 115.11 113.42 2rqt h GLN 1102Ca -0.12 -0.73 0.00 0.00 0.77 0.00 0.00 58.65 58.57 2rqt h GLN 1102Cb 0.46 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.42 2rqt h GLN 1102CO 0.16 1.34 0.00 -0.85 -1.93 0.00 0.00 178.83 177.54 2rqt n GLU 1103N -3.63 2.76 -3.62 1.69 0.28 -1.26 -4.83 120.64 112.03 2rqt n GLU 1103Ca -0.16 -2.47 -0.28 0.00 -0.16 0.00 0.00 57.16 54.09 2rqt n GLU 1103Cb 1.08 -1.57 -0.16 0.00 1.43 0.00 0.00 31.44 32.22 2rqt n GLU 1103CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2rqt s TRP 1104N -2.12 0.57 0.38 -1.84 0.52 -1.25 -0.05 118.94 115.16 2rqt s TRP 1104Ca 0.32 -0.82 0.08 0.00 0.02 0.00 0.00 56.10 55.70 2rqt s TRP 1104Cb 0.24 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.55 2rqt s TRP 1104CO 0.10 -0.71 0.14 -1.58 0.02 0.00 0.00 176.95 174.92 2rqt s TRP 1105N 2.01 2.62 -0.09 -1.98 0.51 -0.78 -0.51 118.94 120.71 2rqt s TRP 1105Ca 0.05 -0.52 0.01 0.00 -2.12 0.00 0.00 56.10 53.53 2rqt s TRP 1105Cb -0.16 -1.80 -0.02 0.00 -0.81 0.00 0.00 33.47 30.67 2rqt s TRP 1105CO -0.22 0.28 -0.12 0.42 -0.51 0.00 0.00 176.95 176.79 2rqt s ILE 1106N -2.55 3.21 0.00 2.03 1.01 0.94 -0.22 121.20 125.63 2rqt s ILE 1106Ca 0.39 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2rqt s ILE 1106Cb 0.02 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2rqt s ILE 1106CO 0.22 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.33 2rqt n GLY 1107N 2.88 1.90 3.00 6.18 0.00 -0.16 -0.05 105.19 118.94 2rqt n GLY 1107Ca -0.18 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2rqt n GLY 1107CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rqt s HIS 1108N -4.62 0.18 0.03 1.61 -3.43 -0.68 -1.00 115.29 107.38 2rqt s HIS 1108Ca 0.00 -0.38 -0.30 0.00 -0.80 0.00 0.00 55.06 53.58 2rqt s HIS 1108Cb 0.00 -0.14 -0.07 0.00 -1.43 0.00 0.00 32.58 30.95 2rqt s HIS 1108CO 0.00 -0.20 1.49 0.42 -2.00 0.00 0.00 174.74 174.46 2rqt s ILE 1109N -1.30 3.43 0.10 -5.38 -1.09 0.88 -0.70 121.20 117.14 2rqt s ILE 1109Ca -0.14 0.86 -0.31 0.00 -2.23 0.00 0.00 60.65 58.83 2rqt s ILE 1109Cb -0.09 -3.55 -0.07 0.00 -1.58 0.00 0.00 42.46 37.17 2rqt s ILE 1109CO -0.00 0.00 1.32 -0.70 -1.23 0.00 0.00 174.94 174.33 2rqt s GLU 1110N 2.40 4.36 0.00 2.79 2.56 0.70 -1.85 118.70 129.65 2rqt s GLU 1110Ca 0.68 1.97 0.00 0.00 0.00 0.00 0.00 54.97 57.62 2rqt s GLU 1110Cb -0.35 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.50 2rqt s GLU 1110CO 0.29 -0.37 0.00 0.41 -0.56 0.00 0.00 175.26 175.02 2rqt n GLY 1111N 3.39 2.97 2.54 -1.50 0.00 -1.26 -4.76 105.19 106.57 2rqt n GLY 1111Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2rqt n GLY 1111CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rqt n GLN 1112N -0.21 0.87 0.05 1.61 -0.06 -0.77 -4.97 117.38 113.89 2rqt n GLN 1112Ca 0.00 -3.67 0.08 0.00 -2.00 0.00 0.00 57.00 51.41 2rqt n GLN 1112Cb 0.00 -1.86 0.35 0.00 -4.06 0.00 0.00 30.24 24.67 2rqt n GLN 1112CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2rqt n PRO 1113N 2.35 0.07 0.23 3.69 -0.02 -1.18 -0.96 135.00 139.18 2rqt n PRO 1113Ca 0.26 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 2rqt n PRO 1113Cb 0.44 -1.65 0.28 0.00 -0.02 0.00 0.00 33.50 32.55 2rqt n PRO 1113CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2rqt h GLU 1114N 0.00 0.00 -5.26 -0.52 4.39 -1.93 -3.39 114.58 107.86 2rqt h GLU 1114Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 2rqt h GLU 1114Cb 0.24 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.74 2rqt h GLU 1114CO 0.00 0.05 1.22 1.03 -1.16 0.00 0.00 179.01 180.15 2rqt s ARG 1115N -3.31 3.75 0.37 2.33 1.81 -0.14 -4.97 118.95 118.80 2rqt s ARG 1115Ca 0.05 -1.84 0.04 0.00 -1.72 0.00 0.00 55.73 52.26 2rqt s ARG 1115Cb 0.06 -5.10 -0.06 0.00 -0.45 0.00 0.00 34.95 29.41 2rqt s ARG 1115CO 0.65 -1.91 0.05 0.15 -0.68 0.00 0.00 175.30 173.57 2rqt s LYS 1116N 3.04 1.80 0.00 3.54 1.02 -1.26 -0.09 119.74 127.80 2rqt s LYS 1116Ca 0.40 -2.04 0.00 0.00 0.02 0.00 0.00 55.97 54.35 2rqt s LYS 1116Cb -0.03 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.24 2rqt s LYS 1116CO -0.06 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 2rqt n GLY 1117N -0.83 0.58 3.81 -3.33 0.00 -0.17 -4.55 105.19 100.69 2rqt n GLY 1117Ca -0.05 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 2rqt n GLY 1117CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rqt s VAL 1118N -2.65 4.68 -0.00 1.61 -7.23 0.00 -0.99 120.40 115.81 2rqt s VAL 1118Ca 0.00 1.26 0.01 0.00 -1.81 0.00 0.00 61.98 61.44 2rqt s VAL 1118Cb 0.00 -3.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.02 2rqt s VAL 1118CO 0.00 0.49 -0.02 0.72 -0.31 0.00 0.00 175.10 175.98 2rqt s PHE 1119N -1.19 0.18 -0.13 2.82 -0.71 0.69 -1.67 117.98 117.98 2rqt s PHE 1119Ca 0.32 -0.03 -0.29 0.00 -1.04 0.00 0.00 56.93 55.89 2rqt s PHE 1119Cb -0.19 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 2rqt s PHE 1119CO 0.20 -0.01 1.68 -1.25 -1.34 0.00 0.00 175.22 174.51 2rqt s PRO 1120N -0.02 3.96 0.47 1.99 0.04 -1.26 -1.87 135.00 138.31 2rqt s PRO 1120Ca 0.00 1.97 0.20 0.00 0.04 0.00 0.00 61.00 63.21 2rqt s PRO 1120Cb -0.01 -4.03 1.15 0.00 0.04 0.00 0.00 34.50 31.64 2rqt s PRO 1120CO -0.00 -1.11 2.00 0.28 0.04 0.00 0.00 177.00 178.21 2rqt h VAL 1121N 5.91 0.91 0.00 -0.36 2.07 -0.79 -0.66 116.25 123.34 2rqt h VAL 1121Ca -0.37 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2rqt h VAL 1121Cb 1.17 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2rqt h VAL 1121CO 0.97 0.18 0.00 -1.20 0.02 0.00 0.00 177.57 177.54 2rqt n SER 1122N -4.00 0.47 -0.91 0.57 7.64 -1.26 -1.90 113.62 114.22 2rqt n SER 1122Ca -0.02 0.65 0.11 0.00 1.01 0.00 0.00 58.87 60.62 2rqt n SER 1122Cb 0.27 -0.74 0.12 0.00 -1.01 0.00 0.00 64.21 62.85 2rqt n SER 1122CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rqt n PHE 1123N -2.06 0.15 -4.35 1.43 3.01 -0.25 -4.97 117.46 110.42 2rqt n PHE 1123Ca 0.01 -0.09 -0.22 0.00 1.01 0.00 0.00 57.45 58.17 2rqt n PHE 1123Cb 0.13 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.49 2rqt n PHE 1123CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2rqt s VAL 1124N -1.63 1.88 -0.35 -4.37 -7.23 -0.80 -0.31 120.40 107.59 2rqt s VAL 1124Ca 0.28 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2rqt s VAL 1124Cb 0.19 -1.91 0.07 0.00 0.56 0.00 0.00 36.38 35.29 2rqt s VAL 1124CO 0.27 -0.34 0.09 -2.28 -0.31 0.00 0.00 175.10 172.53 2rqt s HIS 1125N -2.17 3.41 0.27 2.82 2.46 0.15 -4.81 115.29 117.42 2rqt s HIS 1125Ca 0.18 -2.09 -0.29 0.00 0.47 0.00 0.00 55.06 53.32 2rqt s HIS 1125Cb -0.05 -2.58 -0.10 0.00 -0.13 0.00 0.00 32.58 29.72 2rqt s HIS 1125CO 0.07 -0.87 1.33 0.42 -2.47 0.00 0.00 174.74 173.23 2rqt s ILE 1126N 1.21 2.88 -0.54 0.89 1.01 -1.26 0.14 121.20 125.53 2rqt s ILE 1126Ca 0.01 0.79 -0.23 0.00 0.00 0.00 0.00 60.65 61.22 2rqt s ILE 1126Cb -0.21 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2rqt s ILE 1126CO -0.02 0.15 0.89 -0.76 0.00 0.00 0.00 174.94 175.20 2rqt s LEU 1127N -0.92 4.23 -0.13 2.97 1.43 0.89 -4.88 118.68 122.28 2rqt s LEU 1127Ca 0.54 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 2rqt s LEU 1127Cb -0.39 -2.79 0.27 0.00 0.03 0.00 0.00 46.19 43.32 2rqt s LEU 1127CO 0.46 -1.16 1.15 -1.54 0.23 0.00 0.00 176.35 175.48 2rqt n SER 1128N 7.23 3.02 0.00 2.29 3.41 -1.26 -4.47 113.62 123.84 2rqt n SER 1128Ca 0.01 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 2rqt n SER 1128Cb 0.47 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2rqt n SER 1128CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35