#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 0.43 0.35 1.45 3.52 -1.26 -5.00 118.95 118.44 2rqt s ARG 1070Ca 0.00 0.59 0.06 0.00 -0.13 0.00 0.00 55.73 56.25 2rqt s ARG 1070Cb 0.00 0.17 -0.07 0.00 -1.56 0.00 0.00 34.95 33.49 2rqt s ARG 1070CO 0.00 -0.06 0.01 1.03 -0.81 0.00 0.00 175.30 175.47 2rqt s ARG 1071N 0.62 1.76 0.00 5.12 0.52 -1.22 -1.20 118.95 124.56 2rqt s ARG 1071Ca -0.01 -1.97 -0.02 0.00 -0.52 0.00 0.00 55.73 53.21 2rqt s ARG 1071Cb -0.04 -1.25 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 2rqt s ARG 1071CO -0.10 -0.08 0.02 0.14 0.02 0.00 0.00 175.30 175.30 2rqt s VAL 1072N -2.99 0.06 -0.30 3.52 -7.23 0.10 0.06 120.40 113.61 2rqt s VAL 1072Ca 0.35 -0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2rqt s VAL 1072Cb 0.08 -0.19 0.06 0.00 0.56 0.00 0.00 36.38 36.89 2rqt s VAL 1072CO 0.16 -0.25 -0.00 -0.75 -0.31 0.00 0.00 175.10 173.94 2rqt s LYS 1073N -0.76 2.29 0.22 4.82 2.36 0.12 -0.14 119.74 128.65 2rqt s LYS 1073Ca -0.08 -1.37 -0.32 0.00 -2.55 0.00 0.00 55.97 51.64 2rqt s LYS 1073Cb -0.05 -3.15 -0.13 0.00 -1.05 0.00 0.00 37.83 33.45 2rqt s LYS 1073CO -0.00 -0.67 1.58 0.25 1.55 0.00 0.00 175.35 178.06 2rqt n THR 1074N 4.55 0.44 0.24 3.43 -2.24 0.39 -0.77 114.28 120.33 2rqt n THR 1074Ca -0.11 -0.11 0.03 0.00 -2.27 0.00 0.00 64.05 61.59 2rqt n THR 1074Cb 0.43 -1.74 0.02 0.00 -2.10 0.00 0.00 70.33 66.93 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 2.94 0.00 -3.92 2.28 -5.35 0.15 -1.14 119.36 114.32 2rqt n ILE 1075Ca 0.14 -0.48 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 2rqt n ILE 1075Cb 0.33 1.10 -0.12 0.00 -1.74 0.00 0.00 39.64 39.21 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 -0.64 0.12 0.19 4.28 2.02 -0.75 -4.87 117.35 117.69 2rqt s TYR 1076Ca 0.06 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.22 2rqt s TYR 1076Cb 0.05 -0.09 -0.09 0.00 -0.40 0.00 0.00 41.96 41.43 2rqt s TYR 1076CO 0.09 -0.13 1.33 0.34 -1.57 0.00 0.00 175.55 175.61 2rqt s ASP 1077N -0.84 6.87 -0.39 2.29 2.15 -1.26 -4.06 116.67 121.42 2rqt s ASP 1077Ca -0.09 2.41 0.01 0.00 0.43 0.00 0.00 52.55 55.31 2rqt s ASP 1077Cb -0.06 -2.61 0.12 0.00 -0.30 0.00 0.00 42.92 40.08 2rqt s ASP 1077CO -0.00 -0.56 0.17 0.00 -0.17 0.00 0.00 175.17 174.62 2rqt s GLN 1079N 0.78 3.66 0.16 0.00 -0.21 -1.26 -1.88 119.66 120.90 2rqt s GLN 1079Ca 0.14 -1.57 -0.31 0.00 0.02 0.00 0.00 55.36 53.64 2rqt s GLN 1079Cb -0.22 -5.15 -0.10 0.00 1.00 0.00 0.00 33.01 28.54 2rqt s GLN 1079CO -0.08 -1.99 1.62 0.00 -2.12 0.00 0.00 175.29 172.72 2rqt s ALA 1080N 3.66 3.79 -0.18 6.09 0.00 -1.26 -4.93 121.76 128.94 2rqt s ALA 1080Ca 0.40 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 2rqt s ALA 1080Cb -0.02 -3.65 -0.21 0.00 0.00 0.00 0.00 23.12 19.23 2rqt s ALA 1080CO -0.08 -0.87 0.24 -3.47 0.00 0.00 0.00 175.76 171.57 2rqt n ASP 1081N 4.30 1.96 -4.74 0.00 2.03 -1.26 -4.88 116.55 113.95 2rqt n ASP 1081Ca 0.15 0.33 -0.40 0.00 0.52 0.00 0.00 54.79 55.39 2rqt n ASP 1081Cb 0.38 -0.92 -0.05 0.00 -0.72 0.00 0.00 41.12 39.82 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 -6.95 7.34 0.64 1.67 3.84 -1.26 -4.93 114.94 115.30 2rqt s ASN 1082Ca -0.27 1.61 0.38 0.00 0.21 0.00 0.00 52.86 54.78 2rqt s ASN 1082Cb 0.07 -2.52 2.12 0.00 -0.55 0.00 0.00 41.25 40.37 2rqt s ASN 1082CO 0.65 0.01 2.27 -0.78 -2.79 0.00 0.00 177.10 176.46 2rqt h ASP 1083N 5.48 0.00 1.10 -4.21 3.58 -2.01 0.19 116.42 120.56 2rqt h ASP 1083Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2rqt h ASP 1083Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2rqt h ASP 1083CO 0.71 0.00 -0.15 -0.67 -2.88 0.00 0.00 179.24 176.24 2rqt n ASP 1084N -3.34 0.48 -4.84 2.28 2.03 -1.26 -4.74 116.55 107.15 2rqt n ASP 1084Ca -0.02 0.38 -0.34 0.00 0.52 0.00 0.00 54.79 55.33 2rqt n ASP 1084Cb 0.13 -0.43 -0.06 0.00 -0.72 0.00 0.00 41.12 40.05 2rqt n ASP 1084CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rqt s GLU 1085N -3.06 4.01 0.05 -0.67 2.02 0.67 -1.55 118.70 120.16 2rqt s GLU 1085Ca 0.11 0.58 -0.19 0.00 0.02 0.00 0.00 54.97 55.49 2rqt s GLU 1085Cb 0.15 -2.73 -0.06 0.00 0.10 0.00 0.00 34.13 31.59 2rqt s GLU 1085CO 0.60 0.34 0.56 -1.17 0.02 0.00 0.00 175.26 175.62 2rqt s LEU 1086N -2.40 4.49 -0.23 1.80 2.96 -0.51 -4.73 118.68 120.06 2rqt s LEU 1086Ca 0.45 1.21 -0.13 0.00 -0.22 0.00 0.00 54.13 55.44 2rqt s LEU 1086Cb -0.13 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 2rqt s LEU 1086CO 0.20 0.23 0.26 -0.89 -1.32 0.00 0.00 176.35 174.83 2rqt s THR 1087N -0.85 5.29 0.21 3.68 2.01 -1.26 -4.22 115.64 120.50 2rqt s THR 1087Ca 0.29 0.39 -0.18 0.00 0.31 0.00 0.00 61.69 62.50 2rqt s THR 1087Cb -0.19 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.75 2rqt s THR 1087CO 0.18 0.29 0.55 0.72 -0.69 0.00 0.00 174.62 175.67 2rqt s PHE 1088N 1.30 -0.08 0.36 4.92 -0.12 -0.79 -4.98 117.98 118.59 2rqt s PHE 1088Ca 0.12 -0.28 0.05 0.00 -0.05 0.00 0.00 56.93 56.77 2rqt s PHE 1088Cb -0.14 0.42 -0.07 0.00 -0.63 0.00 0.00 43.02 42.60 2rqt s PHE 1088CO 0.07 -0.98 0.04 0.96 -0.05 0.00 0.00 175.22 175.26 2rqt s ILE 1089N -3.90 1.54 -0.14 -4.49 -0.00 -1.26 -1.27 121.20 111.69 2rqt s ILE 1089Ca 0.11 -2.00 -0.32 0.00 -0.00 0.00 0.00 60.65 58.44 2rqt s ILE 1089Cb -0.02 -2.88 -0.10 0.00 -0.00 0.00 0.00 42.46 39.46 2rqt s ILE 1089CO 0.00 -0.00 2.03 -0.62 -0.00 0.00 0.00 174.94 176.35 2rqt n GLU 1090N -0.81 2.08 0.00 0.37 4.71 -1.26 -2.30 120.64 123.43 2rqt n GLU 1090Ca -0.03 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 57.82 2rqt n GLU 1090Cb 0.67 -2.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.28 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 5.09 1.00 3.83 0.62 0.00 -0.29 -4.98 105.19 110.45 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 -0.06 4.06 -0.19 1.61 0.41 -0.97 -4.82 118.70 118.74 2rqt s GLU 1092Ca 0.00 0.58 -0.06 0.00 -0.41 0.00 0.00 54.97 55.08 2rqt s GLU 1092Cb 0.00 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.27 2rqt s GLU 1092CO 0.00 0.54 0.04 0.08 -0.49 0.00 0.00 175.26 175.42 2rqt s VAL 1093N -1.34 4.46 -0.06 2.63 1.01 -1.26 -0.46 120.40 125.39 2rqt s VAL 1093Ca 0.34 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2rqt s VAL 1093Cb -0.17 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2rqt s VAL 1093CO 0.19 0.45 -0.19 -0.63 0.00 0.00 0.00 175.10 174.92 2rqt s ILE 1094N 0.58 2.62 -0.28 2.22 1.01 0.80 -0.75 121.20 127.40 2rqt s ILE 1094Ca 0.02 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 2rqt s ILE 1094Cb -0.13 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2rqt s ILE 1094CO 0.02 0.57 0.46 -0.63 0.00 0.00 0.00 174.94 175.36 2rqt s ILE 1095N -0.41 5.10 -0.34 2.92 1.01 0.49 0.02 121.20 129.99 2rqt s ILE 1095Ca 0.04 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.06 2rqt s ILE 1095Cb -0.12 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2rqt s ILE 1095CO 0.02 0.05 1.70 -0.69 0.00 0.00 0.00 174.94 176.02 2rqt s VAL 1096N 2.23 3.58 -0.34 2.92 1.01 -0.34 -1.69 120.40 127.78 2rqt s VAL 1096Ca 0.18 0.60 0.17 0.00 0.00 0.00 0.00 61.98 62.93 2rqt s VAL 1096Cb -0.16 -3.77 -0.24 0.00 0.00 0.00 0.00 36.38 32.22 2rqt s VAL 1096CO 0.10 -0.48 0.52 0.35 0.00 0.00 0.00 175.10 175.59 2rqt n THR 1097N 7.30 0.00 -3.83 3.92 -2.24 0.42 -4.55 114.28 115.30 2rqt n THR 1097Ca 0.21 -0.28 -0.06 0.00 -2.27 0.00 0.00 64.05 61.66 2rqt n THR 1097Cb 0.47 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 69.17 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 -3.43 0.11 0.03 3.38 0.00 0.59 -4.96 107.32 103.03 2rqt s GLY 1098Ca -0.01 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.34 2rqt s GLY 1098CO 0.71 0.61 -0.08 -0.54 0.00 0.00 0.00 173.10 173.80 2rqt s GLU 1099N -2.69 0.58 -0.07 2.90 2.02 -1.26 -0.11 118.70 120.06 2rqt s GLU 1099Ca 0.16 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2rqt s GLU 1099Cb -0.04 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.68 2rqt s GLU 1099CO 0.07 0.11 -0.07 0.39 0.02 0.00 0.00 175.26 175.78 2rqt n GLU 1100N 1.98 0.18 -0.59 1.61 -0.58 0.34 -4.81 120.64 118.76 2rqt n GLU 1100Ca -0.19 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2rqt n GLU 1100Cb 0.56 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 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 -2.78 0.00 0.05 1.62 2.03 0.70 -4.97 116.55 113.20 2rqt n ASP 1101Ca -0.13 -0.38 -0.08 0.00 0.52 0.00 0.00 54.79 54.72 2rqt n ASP 1101Cb 0.63 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.01 -0.22 -0.67 4.15 -2.01 -3.32 115.11 113.04 2rqt h GLN 1102Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2rqt h GLN 1102Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2rqt h GLN 1102CO 0.00 0.93 0.00 -0.85 -1.93 0.00 0.00 178.83 176.98 2rqt n GLU 1103N -3.31 2.78 -3.58 1.69 0.28 -1.26 -4.76 120.64 112.48 2rqt n GLU 1103Ca -0.03 -2.13 -0.27 0.00 -0.16 0.00 0.00 57.16 54.57 2rqt n GLU 1103Cb 0.96 -1.34 -0.16 0.00 1.43 0.00 0.00 31.44 32.32 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 -1.52 0.23 0.36 -1.84 0.52 -1.25 -0.81 118.94 114.63 2rqt s TRP 1104Ca 0.22 -0.51 0.08 0.00 0.02 0.00 0.00 56.10 55.92 2rqt s TRP 1104Cb 0.15 -0.76 -0.05 0.00 -1.15 0.00 0.00 33.47 31.66 2rqt s TRP 1104CO 0.10 -0.62 0.15 -1.58 0.02 0.00 0.00 176.95 175.01 2rqt s TRP 1105N 2.13 2.66 -0.07 -1.98 0.51 -0.73 -0.21 118.94 121.24 2rqt s TRP 1105Ca 0.04 -0.45 0.04 0.00 -2.12 0.00 0.00 56.10 53.61 2rqt s TRP 1105Cb -0.16 -1.73 -0.02 0.00 -0.81 0.00 0.00 33.47 30.75 2rqt s TRP 1105CO -0.19 0.29 -0.19 0.42 -0.51 0.00 0.00 176.95 176.77 2rqt s ILE 1106N -2.49 2.57 0.00 2.03 1.01 0.84 -0.33 121.20 124.83 2rqt s ILE 1106Ca 0.39 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2rqt s ILE 1106Cb -0.00 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.48 2rqt s ILE 1106CO 0.22 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2rqt n GLY 1107N 2.85 1.38 3.08 6.18 0.00 -0.66 -0.30 105.19 117.72 2rqt n GLY 1107Ca -0.17 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 -6.27 0.81 0.06 1.61 -3.43 -0.68 -1.14 115.29 106.25 2rqt s HIS 1108Ca 0.00 -0.46 -0.31 0.00 -0.80 0.00 0.00 55.06 53.49 2rqt s HIS 1108Cb 0.00 -0.48 -0.07 0.00 -1.43 0.00 0.00 32.58 30.61 2rqt s HIS 1108CO 0.00 -0.04 1.35 0.42 -2.00 0.00 0.00 174.74 174.47 2rqt s ILE 1109N -1.26 3.60 0.24 -5.38 -1.09 0.74 -0.38 121.20 117.68 2rqt s ILE 1109Ca -0.07 1.10 -0.30 0.00 -2.23 0.00 0.00 60.65 59.15 2rqt s ILE 1109Cb -0.09 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 36.98 2rqt s ILE 1109CO 0.01 0.05 1.46 -1.61 -1.23 0.00 0.00 174.94 173.62 2rqt s GLU 1110N 1.56 4.26 0.00 2.79 2.02 0.07 -2.10 118.70 127.29 2rqt s GLU 1110Ca 0.63 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.93 2rqt s GLU 1110Cb -0.33 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.78 2rqt s GLU 1110CO 0.29 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2rqt n GLY 1111N 2.43 3.35 2.61 -1.39 0.00 -1.26 -4.88 105.19 106.05 2rqt n GLY 1111Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 2rqt n GLY 1111CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rqt s GLN 1112N -0.72 0.72 0.00 1.61 0.74 -0.89 -5.01 119.66 116.11 2rqt s GLN 1112Ca 0.00 -1.28 0.11 0.00 0.05 0.00 0.00 55.36 54.24 2rqt s GLN 1112Cb 0.00 -0.96 0.49 0.00 1.10 0.00 0.00 33.01 33.64 2rqt s GLN 1112CO 0.00 -1.26 1.34 -0.35 -0.55 0.00 0.00 175.29 174.48 2rqt n PRO 1113N 3.76 0.03 0.17 1.67 -0.04 -1.24 -1.68 135.00 137.67 2rqt n PRO 1113Ca 0.16 0.29 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 2rqt n PRO 1113Cb 0.45 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.53 2rqt n PRO 1113CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2rqt h GLU 1114N 0.00 0.00 -5.57 0.54 3.07 -1.95 -3.40 114.58 107.28 2rqt h GLU 1114Ca 0.00 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.22 2rqt h GLU 1114Cb 0.18 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.95 2rqt h GLU 1114CO 0.00 0.34 1.09 1.03 -1.40 0.00 0.00 179.01 180.07 2rqt s ARG 1115N -3.12 3.53 0.32 2.33 0.52 -0.67 -4.96 118.95 116.89 2rqt s ARG 1115Ca 0.04 -1.34 0.03 0.00 -0.52 0.00 0.00 55.73 53.94 2rqt s ARG 1115Cb 0.07 -5.00 -0.06 0.00 0.52 0.00 0.00 34.95 30.48 2rqt s ARG 1115CO 0.71 -1.97 0.06 0.15 0.02 0.00 0.00 175.30 174.27 2rqt s LYS 1116N 3.89 1.62 0.00 3.54 1.02 -1.26 -0.18 119.74 128.37 2rqt s LYS 1116Ca 0.37 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.46 2rqt s LYS 1116Cb -0.04 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 2rqt s LYS 1116CO -0.07 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 2rqt n GLY 1117N -0.66 -0.02 3.80 -3.33 0.00 -0.29 -4.40 105.19 100.29 2rqt n GLY 1117Ca -0.02 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.60 4.45 -0.03 1.61 -7.23 -0.60 -1.66 120.40 114.35 2rqt s VAL 1118Ca 0.00 1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 61.67 2rqt s VAL 1118Cb 0.00 -3.98 0.02 0.00 0.56 0.00 0.00 36.38 32.99 2rqt s VAL 1118CO 0.00 0.31 0.06 0.72 -0.31 0.00 0.00 175.10 175.88 2rqt s PHE 1119N -1.40 -0.03 0.04 2.82 -0.71 0.56 -1.42 117.98 117.82 2rqt s PHE 1119Ca 0.41 0.19 -0.30 0.00 -1.04 0.00 0.00 56.93 56.19 2rqt s PHE 1119Cb -0.19 -0.13 -0.07 0.00 -1.21 0.00 0.00 43.02 41.42 2rqt s PHE 1119CO 0.23 -0.08 1.63 -1.25 -1.34 0.00 0.00 175.22 174.41 2rqt s PRO 1120N 0.77 4.20 0.51 1.99 0.04 -1.25 -1.78 135.00 139.48 2rqt s PRO 1120Ca -0.06 2.27 0.26 0.00 0.04 0.00 0.00 61.00 63.51 2rqt s PRO 1120Cb -0.09 -3.68 1.36 0.00 0.04 0.00 0.00 34.50 32.13 2rqt s PRO 1120CO -0.03 -0.74 2.04 0.28 0.04 0.00 0.00 177.00 178.59 2rqt h VAL 1121N 4.99 0.60 0.00 -0.36 2.07 -1.27 -0.83 116.25 121.45 2rqt h VAL 1121Ca -0.42 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2rqt h VAL 1121Cb 1.20 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2rqt h VAL 1121CO 0.93 0.14 0.00 -0.24 0.02 0.00 0.00 177.57 178.42 2rqt n SER 1122N -3.65 0.00 -0.59 0.57 2.88 -1.26 -2.21 113.62 109.36 2rqt n SER 1122Ca -0.02 0.42 0.10 0.00 -1.33 0.00 0.00 58.87 58.05 2rqt n SER 1122Cb 0.26 -0.47 0.02 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.47 0.00 -4.42 0.66 3.01 -0.32 -4.89 117.46 110.03 2rqt n PHE 1123Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 2rqt n PHE 1123Cb 0.20 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 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 -2.17 1.83 -0.27 -4.37 -7.23 -0.94 -0.67 120.40 106.58 2rqt s VAL 1124Ca 0.20 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2rqt s VAL 1124Cb 0.17 -2.35 0.07 0.00 0.56 0.00 0.00 36.38 34.83 2rqt s VAL 1124CO 0.45 -0.38 -0.06 -2.28 -0.31 0.00 0.00 175.10 172.52 2rqt s HIS 1125N -2.90 3.13 0.33 2.82 2.46 0.05 -4.76 115.29 116.41 2rqt s HIS 1125Ca 0.28 -2.32 -0.29 0.00 0.47 0.00 0.00 55.06 53.20 2rqt s HIS 1125Cb 0.01 -2.05 -0.10 0.00 -0.13 0.00 0.00 32.58 30.31 2rqt s HIS 1125CO 0.11 -0.87 1.36 0.42 -2.47 0.00 0.00 174.74 173.30 2rqt s ILE 1126N 1.14 2.58 -0.20 0.89 1.09 -1.26 0.16 121.20 125.61 2rqt s ILE 1126Ca -0.03 0.57 -0.05 0.00 -1.10 0.00 0.00 60.65 60.04 2rqt s ILE 1126Cb -0.19 -3.36 -0.02 0.00 -1.06 0.00 0.00 42.46 37.82 2rqt s ILE 1126CO -0.07 0.13 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.13 2rqt s LEU 1127N -1.61 3.22 -0.05 2.97 1.43 0.11 -4.87 118.68 119.87 2rqt s LEU 1127Ca 0.51 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 2rqt s LEU 1127Cb -0.41 -1.81 0.29 0.00 0.03 0.00 0.00 46.19 44.29 2rqt s LEU 1127CO 0.53 0.07 1.08 -0.24 0.23 0.00 0.00 176.35 178.02 2rqt n SER 1128N 4.19 2.29 0.00 2.29 2.88 -1.26 -3.36 113.62 120.65 2rqt n SER 1128Ca -0.17 -2.21 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 2rqt n SER 1128Cb 0.52 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2rqt n SER 1128CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28