#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 3.53 0.15 5.55 3.52 -1.26 -3.37 118.95 127.07 2rqt s ARG 1070Ca 0.00 1.10 0.09 0.00 -0.13 0.00 0.00 55.73 56.78 2rqt s ARG 1070Cb 0.00 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 2rqt s ARG 1070CO 0.00 -1.62 -0.11 1.03 -0.81 0.00 0.00 175.30 173.79 2rqt s ARG 1071N 5.10 2.02 0.12 5.12 0.52 -1.26 -0.98 118.95 129.59 2rqt s ARG 1071Ca 0.66 -1.21 0.06 0.00 -0.52 0.00 0.00 55.73 54.73 2rqt s ARG 1071Cb -0.16 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2rqt s ARG 1071CO 0.33 0.46 -0.14 0.14 0.02 0.00 0.00 175.30 176.10 2rqt s VAL 1072N -1.51 1.38 -0.18 3.52 -7.23 0.80 -0.03 120.40 117.15 2rqt s VAL 1072Ca 0.23 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2rqt s VAL 1072Cb -0.10 -1.56 0.05 0.00 0.56 0.00 0.00 36.38 35.33 2rqt s VAL 1072CO 0.14 -0.40 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.72 2rqt s LYS 1073N -2.66 1.50 0.25 4.82 2.36 0.14 -0.23 119.74 125.92 2rqt s LYS 1073Ca 0.09 -0.63 -0.31 0.00 -2.55 0.00 0.00 55.97 52.57 2rqt s LYS 1073Cb -0.05 -2.17 -0.11 0.00 -1.05 0.00 0.00 37.83 34.45 2rqt s LYS 1073CO 0.03 -0.47 1.62 0.95 1.55 0.00 0.00 175.35 179.04 2rqt s THR 1074N 1.58 2.13 -0.38 3.43 -4.23 -0.31 -0.31 115.64 117.54 2rqt s THR 1074Ca -0.01 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.69 2rqt s THR 1074Cb -0.16 -3.07 -0.09 0.00 1.34 0.00 0.00 72.50 70.52 2rqt s THR 1074CO -0.08 0.01 0.35 2.30 -0.54 0.00 0.00 174.62 176.67 2rqt n ILE 1075N 2.88 0.00 -4.15 2.99 -5.35 -0.08 -1.21 119.36 114.44 2rqt n ILE 1075Ca 0.11 -0.30 -0.15 0.00 -0.27 0.00 0.00 62.75 62.14 2rqt n ILE 1075Cb 0.37 0.97 -0.11 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.82 0.99 0.06 4.28 2.02 -1.05 -4.75 117.35 117.09 2rqt s TYR 1076Ca 0.03 -0.60 -0.31 0.00 -0.37 0.00 0.00 57.07 55.83 2rqt s TYR 1076Cb 0.06 -0.56 -0.06 0.00 -0.40 0.00 0.00 41.96 41.01 2rqt s TYR 1076CO 0.34 -0.02 1.20 0.34 -1.57 0.00 0.00 175.55 175.85 2rqt s ASP 1077N -2.14 7.08 -0.24 2.29 2.15 -1.26 -3.74 116.67 120.80 2rqt s ASP 1077Ca 0.01 2.02 0.02 0.00 0.43 0.00 0.00 52.55 55.03 2rqt s ASP 1077Cb -0.05 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2rqt s ASP 1077CO 0.00 -0.47 -0.13 0.00 -0.17 0.00 0.00 175.17 174.40 2rqt s GLN 1079N 1.15 3.22 0.45 0.00 0.74 -1.26 -1.94 119.66 122.02 2rqt s GLN 1079Ca -0.05 -1.77 -0.24 0.00 0.05 0.00 0.00 55.36 53.35 2rqt s GLN 1079Cb -0.18 -4.38 -0.08 0.00 1.10 0.00 0.00 33.01 29.48 2rqt s GLN 1079CO -0.07 -1.44 1.21 0.00 -0.55 0.00 0.00 175.29 174.44 2rqt s ALA 1080N 1.72 3.05 -0.08 1.58 0.00 -1.26 -4.95 121.76 121.81 2rqt s ALA 1080Ca 0.12 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.16 2rqt s ALA 1080Cb -0.21 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 2rqt s ALA 1080CO 0.00 -0.72 -0.02 -3.47 0.00 0.00 0.00 175.76 171.55 2rqt n ASP 1081N -0.31 3.18 -4.83 0.00 2.03 -1.26 -4.97 116.55 110.39 2rqt n ASP 1081Ca 0.06 -0.02 -0.38 0.00 0.52 0.00 0.00 54.79 54.97 2rqt n ASP 1081Cb 0.47 0.34 -0.06 0.00 -0.72 0.00 0.00 41.12 41.15 2rqt n ASP 1081CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2rqt s ASN 1082N -4.35 6.85 0.07 1.67 2.47 -1.26 -4.97 114.94 115.43 2rqt s ASN 1082Ca -0.08 1.02 0.19 0.00 0.42 0.00 0.00 52.86 54.41 2rqt s ASN 1082Cb 0.03 -2.27 0.78 0.00 -1.45 0.00 0.00 41.25 38.34 2rqt s ASN 1082CO 0.27 0.29 1.58 -0.67 -3.72 0.00 0.00 177.10 174.86 2rqt n ASP 1083N 1.64 0.20 -0.25 -4.21 2.03 -1.26 -0.70 116.55 114.00 2rqt n ASP 1083Ca -0.12 0.55 0.13 0.00 0.52 0.00 0.00 54.79 55.87 2rqt n ASP 1083Cb 0.52 -0.59 0.45 0.00 -0.72 0.00 0.00 41.12 40.78 2rqt n ASP 1083CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2rqt n ASP 1084N -1.72 0.98 -4.91 1.67 8.00 -1.26 -4.84 116.55 114.46 2rqt n ASP 1084Ca 0.04 -0.92 -0.29 0.00 0.71 0.00 0.00 54.79 54.32 2rqt n ASP 1084Cb 0.21 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 2rqt n ASP 1084CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rqt s GLU 1085N -2.41 3.60 -0.09 -1.24 2.02 0.12 -0.65 118.70 120.05 2rqt s GLU 1085Ca 0.28 -0.12 -0.11 0.00 0.02 0.00 0.00 54.97 55.03 2rqt s GLU 1085Cb 0.20 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 2rqt s GLU 1085CO 0.48 0.35 0.27 -1.17 0.02 0.00 0.00 175.26 175.21 2rqt s LEU 1086N -3.18 4.38 -0.22 1.80 2.96 0.31 -4.73 118.68 120.00 2rqt s LEU 1086Ca 0.41 0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 54.90 2rqt s LEU 1086Cb -0.11 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2rqt s LEU 1086CO 0.28 0.30 0.06 -0.89 -1.32 0.00 0.00 176.35 174.78 2rqt s THR 1087N -0.66 4.44 0.11 3.68 2.01 -1.26 -4.27 115.64 119.69 2rqt s THR 1087Ca 0.18 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.90 2rqt s THR 1087Cb -0.14 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.35 2rqt s THR 1087CO 0.07 0.38 0.34 0.72 -0.69 0.00 0.00 174.62 175.45 2rqt s PHE 1088N 1.16 -0.11 0.39 4.92 -0.12 -0.82 -4.99 117.98 118.41 2rqt s PHE 1088Ca 0.04 -0.22 0.07 0.00 -0.05 0.00 0.00 56.93 56.78 2rqt s PHE 1088Cb -0.14 0.17 -0.08 0.00 -0.63 0.00 0.00 43.02 42.34 2rqt s PHE 1088CO 0.03 -0.65 -0.01 0.96 -0.05 0.00 0.00 175.22 175.50 2rqt s ILE 1089N -3.74 2.01 -0.15 -4.49 -0.00 -1.26 0.23 121.20 113.81 2rqt s ILE 1089Ca 0.03 -2.05 -0.33 0.00 -0.00 0.00 0.00 60.65 58.30 2rqt s ILE 1089Cb 0.02 -2.90 -0.10 0.00 -0.00 0.00 0.00 42.46 39.48 2rqt s ILE 1089CO -0.11 -0.05 2.00 -0.62 -0.00 0.00 0.00 174.94 176.16 2rqt n GLU 1090N -0.91 2.02 0.00 0.37 4.71 -1.25 -2.39 120.64 123.19 2rqt n GLU 1090Ca -0.05 0.69 0.00 0.00 -0.01 0.00 0.00 57.16 57.79 2rqt n GLU 1090Cb 0.66 -2.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.34 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 5.02 1.17 3.82 0.62 0.00 -0.35 -4.98 105.19 110.50 2rqt n GLY 1091Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.05 3.84 0.01 1.61 2.02 -1.00 -4.88 118.70 120.25 2rqt s GLU 1092Ca 0.00 0.10 -0.19 0.00 0.02 0.00 0.00 54.97 54.89 2rqt s GLU 1092Cb 0.00 -3.27 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 2rqt s GLU 1092CO 0.00 0.59 0.56 0.08 0.02 0.00 0.00 175.26 176.50 2rqt s VAL 1093N -0.59 4.90 -0.03 2.63 1.01 -1.26 -1.16 120.40 125.89 2rqt s VAL 1093Ca 0.18 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.37 2rqt s VAL 1093Cb -0.14 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2rqt s VAL 1093CO 0.07 0.47 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 2rqt s ILE 1094N -0.47 1.39 -0.27 2.22 1.01 0.68 -0.01 121.20 125.76 2rqt s ILE 1094Ca 0.29 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 2rqt s ILE 1094Cb -0.18 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 2rqt s ILE 1094CO 0.17 0.40 0.17 -0.63 0.00 0.00 0.00 174.94 175.05 2rqt s ILE 1095N -0.14 5.20 -0.26 2.92 1.01 0.87 -0.14 121.20 130.65 2rqt s ILE 1095Ca 0.01 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 2rqt s ILE 1095Cb -0.09 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 2rqt s ILE 1095CO 0.01 0.27 1.64 -0.69 0.00 0.00 0.00 174.94 176.17 2rqt s VAL 1096N 1.67 3.66 -0.24 2.92 1.01 -0.15 -1.60 120.40 127.66 2rqt s VAL 1096Ca 0.07 0.73 0.12 0.00 0.00 0.00 0.00 61.98 62.89 2rqt s VAL 1096Cb -0.16 -3.74 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 2rqt s VAL 1096CO 0.09 -0.36 0.36 0.35 0.00 0.00 0.00 175.10 175.54 2rqt n THR 1097N 6.71 0.00 -3.86 3.92 -2.24 0.68 -4.67 114.28 114.82 2rqt n THR 1097Ca 0.20 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.67 2rqt n THR 1097Cb 0.46 0.56 0.02 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.84 0.23 -0.02 3.38 0.00 0.84 -4.94 107.32 103.97 2rqt s GLY 1098Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 2rqt s GLY 1098CO 0.49 1.49 0.07 -0.54 0.00 0.00 0.00 173.10 174.62 2rqt s GLU 1099N -2.16 0.15 -0.09 2.90 2.02 -1.26 -0.10 118.70 120.15 2rqt s GLU 1099Ca 0.20 0.00 -0.08 0.00 0.02 0.00 0.00 54.97 55.11 2rqt s GLU 1099Cb -0.04 0.06 -0.05 0.00 0.10 0.00 0.00 34.13 34.21 2rqt s GLU 1099CO 0.08 -0.02 -0.17 0.39 0.02 0.00 0.00 175.26 175.55 2rqt n GLU 1100N 2.77 0.28 -2.74 1.61 -0.58 -0.26 -4.83 120.64 116.88 2rqt n GLU 1100Ca -0.14 0.12 -0.07 0.00 -0.42 0.00 0.00 57.16 56.64 2rqt n GLU 1100Cb 0.59 -0.97 -0.02 0.00 -0.57 0.00 0.00 31.44 30.46 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 -3.79 0.19 0.20 1.62 2.03 0.38 -4.99 116.55 112.19 2rqt n ASP 1101Ca -0.17 -1.71 0.08 0.00 0.52 0.00 0.00 54.79 53.51 2rqt n ASP 1101Cb 0.48 0.47 0.29 0.00 -0.72 0.00 0.00 41.12 41.64 2rqt n ASP 1101CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2rqt h GLN 1102N 0.00 0.00 0.00 -0.67 3.07 -2.02 -3.19 115.11 112.30 2rqt h GLN 1102Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2rqt h GLN 1102Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 2rqt h GLN 1102CO 0.13 0.28 -0.01 -0.85 0.09 0.00 0.00 178.83 178.46 2rqt n GLU 1103N -3.28 2.23 -3.55 0.06 0.28 -1.26 -4.85 120.64 110.27 2rqt n GLU 1103Ca 0.01 -1.79 -0.24 0.00 -0.16 0.00 0.00 57.16 54.98 2rqt n GLU 1103Cb 0.54 -1.13 -0.15 0.00 1.43 0.00 0.00 31.44 32.13 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 -1.54 0.06 0.38 -1.84 0.52 -1.20 -1.26 118.94 114.05 2rqt s TRP 1104Ca 0.10 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 55.97 2rqt s TRP 1104Cb 0.09 -0.65 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 2rqt s TRP 1104CO 0.01 -0.65 0.19 -1.58 0.02 0.00 0.00 176.95 174.93 2rqt s TRP 1105N 2.19 2.67 -0.06 -1.98 0.51 -0.74 -0.47 118.94 121.06 2rqt s TRP 1105Ca 0.06 -0.47 0.05 0.00 -2.12 0.00 0.00 56.10 53.61 2rqt s TRP 1105Cb -0.16 -1.82 -0.02 0.00 -0.81 0.00 0.00 33.47 30.66 2rqt s TRP 1105CO -0.19 0.22 -0.20 0.42 -0.51 0.00 0.00 176.95 176.69 2rqt s ILE 1106N -2.49 2.51 0.00 2.03 1.01 0.85 -0.18 121.20 124.93 2rqt s ILE 1106Ca 0.40 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2rqt s ILE 1106Cb -0.00 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2rqt s ILE 1106CO 0.23 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.35 2rqt n GLY 1107N 2.79 1.58 3.08 6.18 0.00 -0.50 -0.11 105.19 118.22 2rqt n GLY 1107Ca -0.17 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.06 0.05 0.11 1.61 -3.43 -0.63 -1.03 115.29 108.91 2rqt s HIS 1108Ca 0.00 -0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 53.82 2rqt s HIS 1108Cb 0.00 -0.06 -0.09 0.00 -1.43 0.00 0.00 32.58 31.00 2rqt s HIS 1108CO 0.00 -0.25 1.71 0.42 -2.00 0.00 0.00 174.74 174.61 2rqt s ILE 1109N -1.25 2.76 0.02 -5.38 -1.09 0.61 -0.09 121.20 116.78 2rqt s ILE 1109Ca -0.13 0.30 -0.30 0.00 -2.23 0.00 0.00 60.65 58.29 2rqt s ILE 1109Cb -0.07 -3.19 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 2rqt s ILE 1109CO 0.01 0.00 1.65 -0.70 -1.23 0.00 0.00 174.94 174.68 2rqt s GLU 1110N 2.42 4.20 0.00 2.79 2.12 0.98 -1.58 118.70 129.63 2rqt s GLU 1110Ca 0.76 2.27 0.00 0.00 0.36 0.00 0.00 54.97 58.36 2rqt s GLU 1110Cb -0.43 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.19 2rqt s GLU 1110CO 0.34 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 2rqt n GLY 1111N 4.05 2.88 2.95 -1.50 0.00 -1.26 -4.79 105.19 107.52 2rqt n GLY 1111Ca 0.16 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.57 0.00 1.61 1.11 -0.62 -4.93 119.66 119.40 2rqt s GLN 1112Ca 0.00 -3.24 0.21 0.00 0.01 0.00 0.00 55.36 52.34 2rqt s GLN 1112Cb 0.00 -3.52 1.27 0.00 -1.01 0.00 0.00 33.01 29.75 2rqt s GLN 1112CO 0.00 -1.26 1.68 -0.35 0.01 0.00 0.00 175.29 175.37 2rqt n PRO 1113N 2.20 0.75 0.04 2.91 -0.04 -1.23 -1.59 135.00 138.03 2rqt n PRO 1113Ca 0.18 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2rqt n PRO 1113Cb 0.35 -1.45 0.25 0.00 -0.04 0.00 0.00 33.50 32.61 2rqt n PRO 1113CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2rqt n GLU 1114N -0.95 0.19 -3.28 0.54 4.71 -1.26 -4.55 120.64 116.04 2rqt n GLU 1114Ca 0.16 0.07 -0.47 0.00 -0.01 0.00 0.00 57.16 56.91 2rqt n GLU 1114Cb 0.07 -1.63 -0.02 0.00 -1.01 0.00 0.00 31.44 28.85 2rqt n GLU 1114CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2rqt s ARG 1115N -3.10 3.57 0.24 3.49 0.52 -0.62 -5.02 118.95 118.03 2rqt s ARG 1115Ca 0.08 -2.34 0.03 0.00 -0.52 0.00 0.00 55.73 52.99 2rqt s ARG 1115Cb 0.15 -4.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.09 2rqt s ARG 1115CO 0.69 -1.35 0.02 0.15 0.02 0.00 0.00 175.30 174.83 2rqt s LYS 1116N 0.54 1.38 0.00 3.54 1.02 -1.26 -0.28 119.74 124.67 2rqt s LYS 1116Ca 0.19 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2rqt s LYS 1116Cb -0.11 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 2rqt s LYS 1116CO -0.08 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2rqt n GLY 1117N -0.45 0.48 3.80 -3.33 0.00 -0.20 -4.56 105.19 100.93 2rqt n GLY 1117Ca -0.04 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.92 4.57 -0.02 1.61 -7.23 0.17 -1.41 120.40 115.18 2rqt s VAL 1118Ca 0.00 1.43 0.01 0.00 -1.81 0.00 0.00 61.98 61.61 2rqt s VAL 1118Cb 0.00 -4.00 0.01 0.00 0.56 0.00 0.00 36.38 32.95 2rqt s VAL 1118CO 0.00 0.53 -0.01 0.72 -0.31 0.00 0.00 175.10 176.03 2rqt s PHE 1119N -1.14 0.25 0.03 2.82 -0.71 0.75 -0.53 117.98 119.44 2rqt s PHE 1119Ca 0.32 -0.01 -0.30 0.00 -1.04 0.00 0.00 56.93 55.90 2rqt s PHE 1119Cb -0.21 -0.28 -0.08 0.00 -1.21 0.00 0.00 43.02 41.24 2rqt s PHE 1119CO 0.22 -0.07 1.75 -1.25 -1.34 0.00 0.00 175.22 174.53 2rqt s PRO 1120N 0.55 4.17 0.56 1.99 0.04 -1.26 -1.79 135.00 139.26 2rqt s PRO 1120Ca -0.05 2.38 0.30 0.00 0.04 0.00 0.00 61.00 63.67 2rqt s PRO 1120Cb -0.08 -3.86 1.69 0.00 0.04 0.00 0.00 34.50 32.29 2rqt s PRO 1120CO -0.01 -0.84 2.17 0.28 0.04 0.00 0.00 177.00 178.65 2rqt h VAL 1121N 5.25 0.48 0.00 -0.36 2.07 -1.51 -1.51 116.25 120.68 2rqt h VAL 1121Ca -0.44 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2rqt h VAL 1121Cb 1.20 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2rqt h VAL 1121CO 0.94 0.06 0.00 -1.20 0.02 0.00 0.00 177.57 177.39 2rqt n SER 1122N -3.66 0.00 -0.60 0.57 7.64 -1.26 -2.29 113.62 114.02 2rqt n SER 1122Ca -0.02 0.44 0.07 0.00 1.01 0.00 0.00 58.87 60.37 2rqt n SER 1122Cb 0.16 -0.47 0.07 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.47 0.03 -4.47 1.43 3.01 -0.57 -4.92 117.46 110.50 2rqt n PHE 1123Ca 0.04 -0.03 -0.24 0.00 1.01 0.00 0.00 57.45 58.23 2rqt n PHE 1123Cb 0.16 -0.00 -0.13 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 -1.21 1.64 -0.31 -4.37 -7.23 -0.97 -0.90 120.40 107.05 2rqt s VAL 1124Ca 0.18 -1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 2rqt s VAL 1124Cb 0.12 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.62 2rqt s VAL 1124CO 0.18 0.08 0.11 -2.28 -0.31 0.00 0.00 175.10 172.88 2rqt s HIS 1125N -0.95 3.18 0.17 2.82 2.46 0.57 -4.85 115.29 118.69 2rqt s HIS 1125Ca 0.06 -0.97 -0.29 0.00 0.47 0.00 0.00 55.06 54.34 2rqt s HIS 1125Cb -0.09 -2.29 -0.08 0.00 -0.13 0.00 0.00 32.58 29.99 2rqt s HIS 1125CO 0.03 -0.59 0.90 0.42 -2.47 0.00 0.00 174.74 173.03 2rqt s ILE 1126N 1.51 4.31 -0.17 0.89 1.01 -1.26 0.25 121.20 127.73 2rqt s ILE 1126Ca 0.02 1.97 -0.10 0.00 0.00 0.00 0.00 60.65 62.54 2rqt s ILE 1126Cb -0.18 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2rqt s ILE 1126CO 0.03 0.44 -0.24 0.18 0.00 0.00 0.00 174.94 175.36 2rqt n LEU 1127N 1.99 1.35 -3.58 2.97 4.77 0.96 -4.93 117.00 120.53 2rqt n LEU 1127Ca -0.02 0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.93 2rqt n LEU 1127Cb 0.48 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2rqt n LEU 1127CO 0.49 0.25 0.11 -0.24 -1.33 0.00 0.00 177.39 176.67 2rqt n SER 1128N -3.87 -5.42 0.00 -1.43 2.88 -1.02 -4.88 113.62 99.88 2rqt n SER 1128Ca -0.32 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2rqt n SER 1128Cb 0.69 -4.33 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14