#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 3.22 0.38 7.34 6.06 -1.26 -3.83 118.95 130.85 2rqt s ARG 1070Ca 0.00 -0.42 0.04 0.00 -2.50 0.00 0.00 55.73 52.85 2rqt s ARG 1070Cb 0.00 -4.16 -0.05 0.00 0.06 0.00 0.00 34.95 30.80 2rqt s ARG 1070CO 0.00 -1.86 0.06 1.03 -2.50 0.00 0.00 175.30 172.03 2rqt s ARG 1071N 4.71 1.84 0.01 5.12 0.52 -0.97 -0.39 118.95 129.78 2rqt s ARG 1071Ca 0.30 -2.08 -0.03 0.00 -0.52 0.00 0.00 55.73 53.41 2rqt s ARG 1071Cb -0.12 -1.00 -0.01 0.00 0.52 0.00 0.00 34.95 34.34 2rqt s ARG 1071CO 0.15 -0.27 0.04 0.14 0.02 0.00 0.00 175.30 175.38 2rqt s VAL 1072N -3.14 0.08 -0.36 3.52 -7.23 0.12 0.08 120.40 113.46 2rqt s VAL 1072Ca 0.29 -0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2rqt s VAL 1072Cb 0.06 -0.27 0.08 0.00 0.56 0.00 0.00 36.38 36.82 2rqt s VAL 1072CO 0.14 -0.35 0.13 -0.75 -0.31 0.00 0.00 175.10 173.96 2rqt s LYS 1073N -1.09 2.22 -0.02 4.82 2.47 0.14 -0.83 119.74 127.45 2rqt s LYS 1073Ca -0.12 -1.56 -0.34 0.00 -1.56 0.00 0.00 55.97 52.39 2rqt s LYS 1073Cb -0.07 -3.44 -0.13 0.00 -1.46 0.00 0.00 37.83 32.73 2rqt s LYS 1073CO -0.00 -0.87 1.78 0.25 0.16 0.00 0.00 175.35 176.66 2rqt n THR 1074N 4.63 0.39 0.61 3.43 -2.24 -0.12 0.35 114.28 121.33 2rqt n THR 1074Ca -0.07 -0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2rqt n THR 1074Cb 0.42 -1.72 0.01 0.00 -2.10 0.00 0.00 70.33 66.95 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 4.57 0.00 -4.08 2.28 -5.35 -0.04 -0.44 119.36 116.30 2rqt n ILE 1075Ca 0.21 -0.39 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 2rqt n ILE 1075Cb 0.28 1.20 -0.11 0.00 -1.74 0.00 0.00 39.64 39.27 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 -1.57 0.71 -0.10 4.28 2.02 -0.91 -4.83 117.35 116.95 2rqt s TYR 1076Ca 0.13 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 55.95 2rqt s TYR 1076Cb 0.11 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 2rqt s TYR 1076CO 0.31 -0.10 1.21 0.34 -1.57 0.00 0.00 175.55 175.73 2rqt s ASP 1077N -1.85 7.03 -0.30 2.29 2.15 -1.26 -3.73 116.67 121.00 2rqt s ASP 1077Ca -0.06 1.74 0.02 0.00 0.43 0.00 0.00 52.55 54.68 2rqt s ASP 1077Cb -0.07 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 40.08 2rqt s ASP 1077CO -0.01 -0.64 0.03 0.00 -0.17 0.00 0.00 175.17 174.38 2rqt s GLN 1079N 1.27 3.30 0.22 0.00 -0.21 -1.26 -1.38 119.66 121.60 2rqt s GLN 1079Ca 0.05 -1.78 -0.32 0.00 0.02 0.00 0.00 55.36 53.33 2rqt s GLN 1079Cb -0.18 -4.44 -0.12 0.00 1.00 0.00 0.00 33.01 29.27 2rqt s GLN 1079CO -0.12 -1.49 1.70 0.00 -2.12 0.00 0.00 175.29 173.26 2rqt s ALA 1080N 1.82 3.91 0.03 6.09 0.00 -1.26 -4.90 121.76 127.45 2rqt s ALA 1080Ca 0.16 1.59 0.10 0.00 0.00 0.00 0.00 51.96 53.81 2rqt s ALA 1080Cb -0.17 -3.69 -0.19 0.00 0.00 0.00 0.00 23.12 19.07 2rqt s ALA 1080CO -0.01 -0.93 1.07 0.22 0.00 0.00 0.00 175.76 176.10 2rqt h ASP 1081N 6.51 0.00 -3.30 0.00 3.58 -1.94 -3.46 116.42 117.81 2rqt h ASP 1081Ca -0.44 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.36 2rqt h ASP 1081Cb 1.20 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.14 2rqt h ASP 1081CO 0.93 0.93 -0.64 0.20 -2.88 0.00 0.00 179.24 177.78 2rqt s ASN 1082N -6.43 5.20 0.00 2.28 0.01 -1.26 -4.99 114.94 109.76 2rqt s ASN 1082Ca -0.01 -0.10 0.22 0.00 -0.71 0.00 0.00 52.86 52.27 2rqt s ASN 1082Cb 0.09 -1.31 1.02 0.00 0.41 0.00 0.00 41.25 41.46 2rqt s ASN 1082CO 0.81 0.19 1.71 0.47 -1.51 0.00 0.00 177.10 178.78 2rqt n ASP 1083N 0.67 0.00 0.21 -1.22 8.00 -1.26 -1.76 116.55 121.19 2rqt n ASP 1083Ca -0.11 0.26 0.10 0.00 0.71 0.00 0.00 54.79 55.75 2rqt n ASP 1083Cb 0.52 -0.40 0.29 0.00 -0.02 0.00 0.00 41.12 41.51 2rqt n ASP 1083CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2rqt h ASP 1084N 0.00 0.00 -2.76 -2.24 3.58 -1.94 -3.44 116.42 109.62 2rqt h ASP 1084Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 2rqt h ASP 1084Cb 0.30 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 2rqt h ASP 1084CO 0.00 0.17 -0.52 -1.61 -2.88 0.00 0.00 179.24 174.40 2rqt s GLU 1085N -3.33 3.23 0.04 0.28 2.02 -0.72 -2.14 118.70 118.08 2rqt s GLU 1085Ca 0.04 -0.64 -0.17 0.00 0.02 0.00 0.00 54.97 54.21 2rqt s GLU 1085Cb 0.07 -2.87 -0.06 0.00 0.10 0.00 0.00 34.13 31.37 2rqt s GLU 1085CO 0.66 0.54 0.50 -1.17 0.02 0.00 0.00 175.26 175.81 2rqt s LEU 1086N -2.92 4.51 -0.19 1.80 2.96 -0.54 -4.75 118.68 119.54 2rqt s LEU 1086Ca 0.33 1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 55.29 2rqt s LEU 1086Cb -0.11 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 2rqt s LEU 1086CO 0.26 0.29 0.11 -0.89 -1.32 0.00 0.00 176.35 174.81 2rqt s THR 1087N -1.08 5.27 0.23 3.68 2.01 -1.26 -4.07 115.64 120.42 2rqt s THR 1087Ca 0.27 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 62.19 2rqt s THR 1087Cb -0.18 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 68.97 2rqt s THR 1087CO 0.17 0.45 0.66 0.72 -0.69 0.00 0.00 174.62 175.93 2rqt s PHE 1088N 0.32 -0.29 0.32 4.92 -0.12 -0.48 -4.97 117.98 117.68 2rqt s PHE 1088Ca 0.07 -0.08 0.06 0.00 -0.05 0.00 0.00 56.93 56.93 2rqt s PHE 1088Cb -0.11 0.63 -0.06 0.00 -0.63 0.00 0.00 43.02 42.84 2rqt s PHE 1088CO -0.01 -1.08 -0.01 0.96 -0.05 0.00 0.00 175.22 175.03 2rqt s ILE 1089N -3.86 1.58 -0.21 -4.49 -0.00 -1.26 -1.21 121.20 111.74 2rqt s ILE 1089Ca 0.08 -2.06 -0.33 0.00 -0.00 0.00 0.00 60.65 58.33 2rqt s ILE 1089Cb -0.04 -2.68 -0.10 0.00 -0.00 0.00 0.00 42.46 39.64 2rqt s ILE 1089CO -0.00 -0.14 2.07 -0.62 -0.00 0.00 0.00 174.94 176.25 2rqt n GLU 1090N -0.70 1.74 0.00 0.37 4.71 -1.24 -2.28 120.64 123.24 2rqt n GLU 1090Ca -0.04 0.56 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 2rqt n GLU 1090Cb 0.65 -2.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 2rqt n GLU 1090CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2rqt n GLY 1091N 5.47 1.25 3.83 0.62 0.00 0.41 -4.98 105.19 111.79 2rqt n GLY 1091Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.09 4.08 -0.22 1.61 0.41 -0.96 -4.86 118.70 118.67 2rqt s GLU 1092Ca 0.00 0.62 -0.09 0.00 -0.41 0.00 0.00 54.97 55.09 2rqt s GLU 1092Cb 0.00 -2.98 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 2rqt s GLU 1092CO 0.00 0.49 0.12 0.08 -0.49 0.00 0.00 175.26 175.46 2rqt s VAL 1093N -1.40 5.03 -0.04 2.63 1.01 -1.26 -0.94 120.40 125.42 2rqt s VAL 1093Ca 0.37 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2rqt s VAL 1093Cb -0.16 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2rqt s VAL 1093CO 0.19 0.38 -0.23 -0.63 0.00 0.00 0.00 175.10 174.81 2rqt s ILE 1094N 0.93 2.27 -0.23 2.22 1.01 -0.01 -0.31 121.20 127.08 2rqt s ILE 1094Ca 0.06 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 2rqt s ILE 1094Cb -0.13 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2rqt s ILE 1094CO 0.03 0.58 0.46 -0.63 0.00 0.00 0.00 174.94 175.37 2rqt s ILE 1095N -0.47 5.14 -0.37 2.92 1.09 0.77 0.12 121.20 130.39 2rqt s ILE 1095Ca 0.06 0.79 -0.28 0.00 -1.10 0.00 0.00 60.65 60.11 2rqt s ILE 1095Cb -0.11 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.49 2rqt s ILE 1095CO 0.01 0.17 1.75 -0.69 -0.10 0.00 0.00 174.94 176.08 2rqt s VAL 1096N 1.81 3.52 -1.03 2.92 1.01 0.48 -1.46 120.40 127.66 2rqt s VAL 1096Ca 0.20 0.51 0.09 0.00 0.00 0.00 0.00 61.98 62.78 2rqt s VAL 1096Cb -0.15 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.57 2rqt s VAL 1096CO 0.09 -0.52 0.85 0.35 0.00 0.00 0.00 175.10 175.87 2rqt n THR 1097N 7.35 0.17 -3.66 3.92 -2.24 0.10 -4.80 114.28 115.12 2rqt n THR 1097Ca 0.22 -0.59 -0.02 0.00 -2.27 0.00 0.00 64.05 61.39 2rqt n THR 1097Cb 0.48 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.77 -0.34 -0.06 3.38 0.00 0.32 -4.88 107.32 104.97 2rqt s GLY 1098Ca 0.12 0.58 -0.03 0.00 0.00 0.00 0.00 44.72 45.39 2rqt s GLY 1098CO 0.11 0.13 0.11 -0.54 0.00 0.00 0.00 173.10 172.91 2rqt s GLU 1099N -2.81 -0.02 -0.22 2.90 2.02 -1.26 -0.11 118.70 119.20 2rqt s GLU 1099Ca 0.12 0.47 -0.06 0.00 0.02 0.00 0.00 54.97 55.52 2rqt s GLU 1099Cb 0.01 -0.38 -0.19 0.00 0.10 0.00 0.00 34.13 33.67 2rqt s GLU 1099CO -0.02 -0.31 -0.04 0.39 0.02 0.00 0.00 175.26 175.30 2rqt n GLU 1100N 5.27 0.66 -0.32 1.61 -0.58 -0.06 -4.90 120.64 122.32 2rqt n GLU 1100Ca -0.05 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 2rqt n GLU 1100Cb 0.50 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 2rqt n GLU 1100CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2rqt n ASP 1101N -3.65 0.00 0.03 1.62 -0.08 0.86 -4.98 116.55 110.36 2rqt n ASP 1101Ca -0.42 -0.20 -0.10 0.00 -1.51 0.00 0.00 54.79 52.56 2rqt n ASP 1101Cb 0.95 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 44.28 2rqt n ASP 1101CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2rqt h GLN 1102N 0.00 0.05 -0.35 -0.67 4.15 -2.02 -3.33 115.11 112.94 2rqt h GLN 1102Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2rqt h GLN 1102Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2rqt h GLN 1102CO 0.00 0.84 0.00 -0.85 -1.93 0.00 0.00 178.83 176.89 2rqt n GLU 1103N -3.26 2.89 -3.60 1.69 0.28 -1.26 -4.79 120.64 112.58 2rqt n GLU 1103Ca -0.09 -2.17 -0.27 0.00 -0.16 0.00 0.00 57.16 54.47 2rqt n GLU 1103Cb 1.00 -1.35 -0.17 0.00 1.43 0.00 0.00 31.44 32.35 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 -1.23 0.28 0.35 -1.84 0.52 -1.25 -0.95 118.94 114.82 2rqt s TRP 1104Ca 0.26 -0.47 0.09 0.00 0.02 0.00 0.00 56.10 56.01 2rqt s TRP 1104Cb 0.15 -0.76 -0.06 0.00 -1.15 0.00 0.00 33.47 31.66 2rqt s TRP 1104CO 0.15 -0.58 0.02 -1.58 0.02 0.00 0.00 176.95 174.99 2rqt s TRP 1105N 2.11 2.54 -0.04 -1.98 0.52 -0.73 -0.10 118.94 121.27 2rqt s TRP 1105Ca 0.03 -0.48 0.04 0.00 0.02 0.00 0.00 56.10 55.71 2rqt s TRP 1105Cb -0.16 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 2rqt s TRP 1105CO -0.15 0.45 -0.14 0.42 0.02 0.00 0.00 176.95 177.56 2rqt s ILE 1106N -2.55 3.08 0.13 2.03 1.01 0.85 -0.12 121.20 125.63 2rqt s ILE 1106Ca 0.35 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2rqt s ILE 1106Cb 0.01 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.29 2rqt s ILE 1106CO 0.19 0.55 0.48 0.61 0.00 0.00 0.00 174.94 176.77 2rqt n GLY 1107N 2.16 1.14 3.01 6.18 0.00 -0.42 0.01 105.19 117.27 2rqt n GLY 1107Ca -0.17 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.59 0.50 0.24 1.61 -3.43 -0.53 -1.07 115.29 108.01 2rqt s HIS 1108Ca 0.10 -0.35 -0.30 0.00 -0.80 0.00 0.00 55.06 53.71 2rqt s HIS 1108Cb -0.02 -0.31 -0.10 0.00 -1.43 0.00 0.00 32.58 30.72 2rqt s HIS 1108CO 0.04 -0.07 1.38 0.42 -2.00 0.00 0.00 174.74 174.51 2rqt s ILE 1109N -0.93 2.87 -0.21 -5.38 -1.09 0.70 -0.16 121.20 116.99 2rqt s ILE 1109Ca -0.07 0.73 -0.35 0.00 -2.23 0.00 0.00 60.65 58.74 2rqt s ILE 1109Cb -0.07 -3.47 -0.12 0.00 -1.58 0.00 0.00 42.46 37.23 2rqt s ILE 1109CO 0.00 0.12 1.99 -0.62 -1.23 0.00 0.00 174.94 175.20 2rqt n GLU 1110N 2.32 1.65 0.00 2.79 -0.58 0.57 -0.52 120.64 126.89 2rqt n GLU 1110Ca 0.06 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 2rqt n GLU 1110Cb 0.41 -2.56 0.00 0.00 -0.57 0.00 0.00 31.44 28.72 2rqt n GLU 1110CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rqt n GLY 1111N 5.17 1.03 2.63 0.62 0.00 -1.26 -4.96 105.19 108.42 2rqt n GLY 1111Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2rqt n GLY 1111CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rqt s GLN 1112N -0.75 0.88 0.00 1.61 -0.21 0.33 -4.92 119.66 116.60 2rqt s GLN 1112Ca 0.00 -1.53 0.17 0.00 0.02 0.00 0.00 55.36 54.01 2rqt s GLN 1112Cb 0.00 -1.88 0.99 0.00 1.00 0.00 0.00 33.01 33.12 2rqt s GLN 1112CO 0.00 -1.14 1.40 -2.30 -2.12 0.00 0.00 175.29 171.13 2rqt n PRO 1113N 4.04 0.54 0.07 2.91 -0.02 -1.26 -1.88 135.00 139.40 2rqt n PRO 1113Ca 0.07 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 2rqt n PRO 1113Cb 0.37 -1.48 -0.14 0.00 -0.02 0.00 0.00 33.50 32.23 2rqt n PRO 1113CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2rqt h GLU 1114N 0.00 0.26 -4.93 -0.52 4.81 -1.91 -3.42 114.58 108.88 2rqt h GLU 1114Ca 0.00 -0.45 -0.70 0.00 -0.13 0.00 0.00 59.36 58.08 2rqt h GLU 1114Cb 0.00 0.17 -0.18 0.00 0.63 0.00 0.00 28.75 29.37 2rqt h GLU 1114CO 0.00 1.13 0.72 1.03 -0.73 0.00 0.00 179.01 181.17 2rqt s ARG 1115N -2.61 3.55 0.33 1.92 0.52 -0.79 -4.98 118.95 116.89 2rqt s ARG 1115Ca -0.09 -1.75 0.03 0.00 -0.52 0.00 0.00 55.73 53.40 2rqt s ARG 1115Cb 0.07 -4.81 -0.04 0.00 0.52 0.00 0.00 34.95 30.69 2rqt s ARG 1115CO 0.85 -1.72 0.12 0.15 0.02 0.00 0.00 175.30 174.72 2rqt s LYS 1116N 2.54 1.68 0.00 3.54 1.02 -1.26 -0.22 119.74 127.05 2rqt s LYS 1116Ca 0.30 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 54.32 2rqt s LYS 1116Cb -0.07 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 2rqt s LYS 1116CO -0.08 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 2rqt n GLY 1117N -0.69 0.78 3.80 -3.33 0.00 -0.24 -4.25 105.19 101.26 2rqt n GLY 1117Ca -0.02 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.37 4.44 -0.07 1.61 -7.23 -0.91 -1.30 120.40 114.57 2rqt s VAL 1118Ca 0.00 1.50 -0.05 0.00 -1.81 0.00 0.00 61.98 61.63 2rqt s VAL 1118Cb 0.00 -3.95 0.03 0.00 0.56 0.00 0.00 36.38 33.02 2rqt s VAL 1118CO 0.00 0.25 0.17 0.72 -0.31 0.00 0.00 175.10 175.94 2rqt s PHE 1119N -1.47 -0.20 0.06 2.82 -0.71 0.83 -1.47 117.98 117.83 2rqt s PHE 1119Ca 0.43 0.53 -0.31 0.00 -1.04 0.00 0.00 56.93 56.54 2rqt s PHE 1119Cb -0.18 0.01 -0.08 0.00 -1.21 0.00 0.00 43.02 41.55 2rqt s PHE 1119CO 0.23 -0.15 1.65 -1.25 -1.34 0.00 0.00 175.22 174.36 2rqt s PRO 1120N 0.72 4.20 0.51 1.99 0.04 -1.26 -1.77 135.00 139.44 2rqt s PRO 1120Ca -0.05 2.31 0.26 0.00 0.04 0.00 0.00 61.00 63.56 2rqt s PRO 1120Cb -0.07 -3.63 1.39 0.00 0.04 0.00 0.00 34.50 32.22 2rqt s PRO 1120CO -0.04 -0.74 2.05 0.28 0.04 0.00 0.00 177.00 178.59 2rqt h VAL 1121N 4.88 0.60 0.00 -0.36 2.07 -1.35 -0.82 116.25 121.27 2rqt h VAL 1121Ca -0.42 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2rqt h VAL 1121Cb 1.20 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2rqt h VAL 1121CO 0.93 0.13 0.00 -0.24 0.02 0.00 0.00 177.57 178.41 2rqt n SER 1122N -3.67 0.00 -0.85 0.57 2.88 -1.26 -2.27 113.62 109.01 2rqt n SER 1122Ca -0.02 -0.30 0.10 0.00 -1.33 0.00 0.00 58.87 57.32 2rqt n SER 1122Cb 0.25 -0.19 0.10 0.00 -0.75 0.00 0.00 64.21 63.62 2rqt n SER 1122CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2rqt n PHE 1123N -1.19 0.05 -4.23 0.66 3.01 -0.31 -4.92 117.46 110.53 2rqt n PHE 1123Ca 0.14 -0.03 -0.14 0.00 1.01 0.00 0.00 57.45 58.43 2rqt n PHE 1123Cb 0.16 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.69 1.08 -0.30 -4.37 -7.23 -0.96 -0.86 120.40 106.06 2rqt s VAL 1124Ca 0.25 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2rqt s VAL 1124Cb 0.18 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.39 2rqt s VAL 1124CO 0.26 -0.76 -0.00 -2.28 -0.31 0.00 0.00 175.10 172.01 2rqt s HIS 1125N -3.32 3.34 0.38 2.82 2.46 0.15 -4.78 115.29 116.35 2rqt s HIS 1125Ca 0.15 -2.14 -0.27 0.00 0.47 0.00 0.00 55.06 53.27 2rqt s HIS 1125Cb 0.03 -2.25 -0.09 0.00 -0.13 0.00 0.00 32.58 30.14 2rqt s HIS 1125CO -0.00 -0.85 1.31 0.42 -2.47 0.00 0.00 174.74 173.15 2rqt s ILE 1126N 1.17 2.61 -0.08 0.89 1.01 -1.26 0.25 121.20 125.79 2rqt s ILE 1126Ca -0.03 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.22 2rqt s ILE 1126Cb -0.20 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2rqt s ILE 1126CO -0.03 0.10 -0.16 -0.76 0.00 0.00 0.00 174.94 174.10 2rqt s LEU 1127N -2.22 2.60 -0.08 2.97 1.43 0.11 -4.84 118.68 118.65 2rqt s LEU 1127Ca 0.54 -0.30 0.16 0.00 -1.03 0.00 0.00 54.13 53.50 2rqt s LEU 1127Cb -0.39 -1.54 0.61 0.00 0.03 0.00 0.00 46.19 44.90 2rqt s LEU 1127CO 0.51 0.26 1.50 -0.24 0.23 0.00 0.00 176.35 178.61 2rqt n SER 1128N 2.87 4.02 0.00 2.29 2.88 -1.26 -2.29 113.62 122.13 2rqt n SER 1128Ca -0.18 -2.31 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 2rqt n SER 1128Cb 0.52 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2rqt n SER 1128CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91