#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 3.11 0.20 7.34 6.06 -1.26 -4.70 118.95 129.69 2rqt s ARG 1070Ca 0.00 -0.20 0.11 0.00 -2.50 0.00 0.00 55.73 53.15 2rqt s ARG 1070Cb 0.00 -4.43 -0.04 0.00 0.06 0.00 0.00 34.95 30.54 2rqt s ARG 1070CO 0.00 -2.33 -0.24 1.03 -2.50 0.00 0.00 175.30 171.26 2rqt s ARG 1071N 5.95 1.52 0.12 5.12 0.52 -1.24 -0.30 118.95 130.64 2rqt s ARG 1071Ca 0.45 -1.54 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 2rqt s ARG 1071Cb -0.08 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 2rqt s ARG 1071CO 0.12 0.39 -0.01 0.14 0.02 0.00 0.00 175.30 175.97 2rqt s VAL 1072N -1.72 0.46 -0.07 3.52 -7.23 0.93 -0.08 120.40 116.21 2rqt s VAL 1072Ca 0.21 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2rqt s VAL 1072Cb -0.08 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 35.00 2rqt s VAL 1072CO 0.10 -0.66 0.05 -0.75 -0.31 0.00 0.00 175.10 173.53 2rqt s LYS 1073N -3.93 0.17 -0.04 4.82 2.20 0.14 0.07 119.74 123.17 2rqt s LYS 1073Ca 0.18 0.21 -0.32 0.00 -0.36 0.00 0.00 55.97 55.68 2rqt s LYS 1073Cb 0.07 -0.87 -0.10 0.00 -1.51 0.00 0.00 37.83 35.41 2rqt s LYS 1073CO -0.01 -0.38 1.95 0.25 -0.36 0.00 0.00 175.35 176.81 2rqt n THR 1074N 5.24 0.67 0.75 3.43 -2.24 -0.07 0.33 114.28 122.39 2rqt n THR 1074Ca -0.05 -0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 2rqt n THR 1074Cb 0.50 -2.14 0.01 0.00 -2.10 0.00 0.00 70.33 66.61 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 5.52 0.00 -4.02 2.28 -5.35 0.15 -0.59 119.36 117.35 2rqt n ILE 1075Ca 0.22 -0.36 -0.10 0.00 -0.27 0.00 0.00 62.75 62.24 2rqt n ILE 1075Cb 0.36 1.24 -0.11 0.00 -1.74 0.00 0.00 39.64 39.39 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 -1.87 0.44 0.03 4.28 2.02 -1.00 -4.86 117.35 116.38 2rqt s TYR 1076Ca 0.16 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 55.97 2rqt s TYR 1076Cb 0.14 -0.29 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2rqt s TYR 1076CO 0.38 -0.17 1.08 0.34 -1.57 0.00 0.00 175.55 175.61 2rqt s ASP 1077N -1.68 7.24 -0.11 2.29 2.15 -1.26 -4.00 116.67 121.29 2rqt s ASP 1077Ca -0.11 1.82 0.01 0.00 0.43 0.00 0.00 52.55 54.70 2rqt s ASP 1077Cb -0.08 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 2rqt s ASP 1077CO -0.01 -0.36 -0.13 0.00 -0.17 0.00 0.00 175.17 174.50 2rqt s GLN 1079N 1.21 2.61 -0.19 0.00 -0.21 -1.26 -2.23 119.66 119.59 2rqt s GLN 1079Ca -0.03 -1.81 -0.29 0.00 0.02 0.00 0.00 55.36 53.26 2rqt s GLN 1079Cb -0.14 -4.00 -0.05 0.00 1.00 0.00 0.00 33.01 29.82 2rqt s GLN 1079CO -0.04 -1.22 2.02 0.00 -2.12 0.00 0.00 175.29 173.93 2rqt s ALA 1080N 1.32 2.99 0.14 6.09 0.00 -1.26 -4.84 121.76 126.19 2rqt s ALA 1080Ca 0.06 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 2rqt s ALA 1080Cb -0.26 -3.99 -0.09 0.00 0.00 0.00 0.00 23.12 18.78 2rqt s ALA 1080CO -0.00 -2.42 1.31 0.22 0.00 0.00 0.00 175.76 174.86 2rqt h ASP 1081N 13.28 0.40 -3.30 0.00 3.58 -1.93 -3.45 116.42 125.00 2rqt h ASP 1081Ca -0.40 -0.33 -0.66 0.00 0.42 0.00 0.00 57.03 56.05 2rqt h ASP 1081Cb 1.22 -0.12 -0.12 0.00 1.72 0.00 0.00 39.33 42.02 2rqt h ASP 1081CO 0.97 1.15 -0.63 0.21 -2.88 0.00 0.00 179.24 178.07 2rqt s ASN 1082N -7.02 5.24 0.12 2.28 2.47 -1.26 -5.01 114.94 111.75 2rqt s ASN 1082Ca -0.04 -0.00 0.24 0.00 0.42 0.00 0.00 52.86 53.47 2rqt s ASN 1082Cb 0.09 -1.38 0.92 0.00 -1.45 0.00 0.00 41.25 39.43 2rqt s ASN 1082CO 0.85 0.26 1.73 -0.67 -3.72 0.00 0.00 177.10 175.55 2rqt n ASP 1083N 1.19 0.37 0.22 -4.21 2.03 -1.26 -1.33 116.55 113.57 2rqt n ASP 1083Ca -0.13 0.56 0.11 0.00 0.52 0.00 0.00 54.79 55.85 2rqt n ASP 1083Cb 0.52 -0.65 0.36 0.00 -0.72 0.00 0.00 41.12 40.63 2rqt n ASP 1083CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2rqt h ASP 1084N 0.00 0.00 -3.62 1.67 5.19 -1.94 -3.45 116.42 114.27 2rqt h ASP 1084Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 2rqt h ASP 1084Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2rqt h ASP 1084CO 0.00 0.13 0.08 -1.61 -3.12 0.00 0.00 179.24 174.72 2rqt s GLU 1085N -3.40 3.74 0.02 3.56 2.02 -0.44 -1.49 118.70 122.71 2rqt s GLU 1085Ca 0.03 0.39 -0.11 0.00 0.02 0.00 0.00 54.97 55.30 2rqt s GLU 1085Cb 0.08 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 2rqt s GLU 1085CO 0.64 -0.01 0.35 -1.17 0.02 0.00 0.00 175.26 175.09 2rqt s LEU 1086N -3.87 4.40 -0.21 1.80 2.96 0.03 -4.71 118.68 119.07 2rqt s LEU 1086Ca 0.50 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 55.13 2rqt s LEU 1086Cb -0.10 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 2rqt s LEU 1086CO 0.32 0.27 0.03 -0.89 -1.32 0.00 0.00 176.35 174.76 2rqt s THR 1087N -1.23 4.16 0.09 3.68 2.01 -1.26 -4.11 115.64 118.97 2rqt s THR 1087Ca 0.27 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 2rqt s THR 1087Cb -0.15 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.48 2rqt s THR 1087CO 0.14 0.40 0.30 0.72 -0.69 0.00 0.00 174.62 175.50 2rqt s PHE 1088N 1.11 -0.05 0.36 4.92 -0.12 -0.95 -4.99 117.98 118.26 2rqt s PHE 1088Ca 0.03 -0.25 0.09 0.00 -0.05 0.00 0.00 56.93 56.75 2rqt s PHE 1088Cb -0.14 0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.28 2rqt s PHE 1088CO 0.02 -0.58 -0.02 0.96 -0.05 0.00 0.00 175.22 175.55 2rqt s ILE 1089N -3.42 2.37 -0.19 -4.49 -0.00 -1.26 -1.12 121.20 113.08 2rqt s ILE 1089Ca 0.01 -2.05 -0.33 0.00 -0.00 0.00 0.00 60.65 58.28 2rqt s ILE 1089Cb 0.02 -2.78 -0.10 0.00 -0.00 0.00 0.00 42.46 39.60 2rqt s ILE 1089CO -0.09 -0.16 2.04 -0.62 -0.00 0.00 0.00 174.94 176.11 2rqt n GLU 1090N -0.91 1.80 0.00 0.37 4.71 -1.26 -2.43 120.64 122.92 2rqt n GLU 1090Ca -0.04 0.59 0.00 0.00 -0.01 0.00 0.00 57.16 57.70 2rqt n GLU 1090Cb 0.64 -2.71 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 5.31 1.28 3.74 0.62 0.00 0.24 -4.99 105.19 111.39 2rqt n GLY 1091Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.04 4.23 -0.05 1.61 2.02 -1.02 -4.88 118.70 120.56 2rqt s GLU 1092Ca 0.00 0.16 -0.20 0.00 0.02 0.00 0.00 54.97 54.95 2rqt s GLU 1092Cb 0.00 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 2rqt s GLU 1092CO 0.00 0.26 0.55 0.08 0.02 0.00 0.00 175.26 176.18 2rqt s VAL 1093N 0.38 5.03 -0.09 2.63 1.01 -1.26 -0.89 120.40 127.20 2rqt s VAL 1093Ca 0.18 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.33 2rqt s VAL 1093Cb -0.13 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2rqt s VAL 1093CO 0.05 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.70 2rqt s ILE 1094N 0.15 2.43 -0.29 2.22 1.01 0.11 -0.06 121.20 126.77 2rqt s ILE 1094Ca 0.30 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 2rqt s ILE 1094Cb -0.17 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2rqt s ILE 1094CO 0.15 0.56 0.49 -0.63 0.00 0.00 0.00 174.94 175.50 2rqt s ILE 1095N 0.11 5.06 -0.38 2.92 1.01 0.14 -0.05 121.20 130.02 2rqt s ILE 1095Ca -0.10 0.64 -0.28 0.00 0.00 0.00 0.00 60.65 60.90 2rqt s ILE 1095Cb -0.16 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 2rqt s ILE 1095CO 0.06 -0.01 1.64 -0.69 0.00 0.00 0.00 174.94 175.94 2rqt s VAL 1096N 2.31 3.64 -1.82 2.92 1.01 0.59 -1.68 120.40 127.37 2rqt s VAL 1096Ca 0.19 0.64 0.24 0.00 0.00 0.00 0.00 61.98 63.05 2rqt s VAL 1096Cb -0.16 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.38 2rqt s VAL 1096CO 0.11 -0.58 1.21 0.35 0.00 0.00 0.00 175.10 176.18 2rqt n THR 1097N 7.27 0.00 -3.63 3.92 -2.24 0.87 -4.70 114.28 115.78 2rqt n THR 1097Ca 0.20 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2rqt n THR 1097Cb 0.47 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.56 -0.37 -0.09 3.38 0.00 0.05 -4.93 107.32 102.80 2rqt s GLY 1098Ca 0.19 0.83 -0.02 0.00 0.00 0.00 0.00 44.72 45.71 2rqt s GLY 1098CO 0.59 0.20 0.03 -0.54 0.00 0.00 0.00 173.10 173.38 2rqt s GLU 1099N -2.54 0.37 -0.19 2.90 2.02 -1.26 0.02 118.70 120.02 2rqt s GLU 1099Ca 0.13 0.09 -0.16 0.00 0.02 0.00 0.00 54.97 55.05 2rqt s GLU 1099Cb 0.03 -1.09 -0.12 0.00 0.10 0.00 0.00 34.13 33.05 2rqt s GLU 1099CO -0.03 -0.39 -0.02 0.39 0.02 0.00 0.00 175.26 175.22 2rqt n GLU 1100N 5.19 0.52 -1.23 1.61 -0.58 -0.47 -4.93 120.64 120.75 2rqt n GLU 1100Ca -0.06 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 2rqt n GLU 1100Cb 0.50 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 -4.49 1.06 0.10 1.62 -0.08 0.93 -4.99 116.55 110.69 2rqt n ASP 1101Ca -0.23 -0.62 -0.17 0.00 -1.51 0.00 0.00 54.79 52.26 2rqt n ASP 1101Cb 0.53 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.88 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 0.40 -0.16 -0.67 4.15 -2.02 -3.32 115.11 113.49 2rqt h GLN 1102Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.85 2rqt h GLN 1102Cb 0.00 0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2rqt h GLN 1102CO 0.00 1.24 0.00 -0.85 -1.93 0.00 0.00 178.83 177.29 2rqt n GLU 1103N -3.66 2.64 -3.62 1.69 0.28 -1.26 -4.81 120.64 111.91 2rqt n GLU 1103Ca -0.10 -2.11 -0.28 0.00 -0.16 0.00 0.00 57.16 54.51 2rqt n GLU 1103Cb 0.97 -1.33 -0.16 0.00 1.43 0.00 0.00 31.44 32.36 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 -1.66 0.58 0.39 -1.84 0.52 -1.25 -0.83 118.94 114.85 2rqt s TRP 1104Ca 0.21 -0.83 0.08 0.00 0.02 0.00 0.00 56.10 55.57 2rqt s TRP 1104Cb 0.15 -0.97 -0.05 0.00 -1.15 0.00 0.00 33.47 31.45 2rqt s TRP 1104CO 0.07 -0.71 0.16 -1.58 0.02 0.00 0.00 176.95 174.91 2rqt s TRP 1105N 2.01 2.62 -0.05 -1.98 0.51 -0.74 -0.05 118.94 121.27 2rqt s TRP 1105Ca 0.05 -0.53 0.06 0.00 -2.12 0.00 0.00 56.10 53.57 2rqt s TRP 1105Cb -0.16 -1.85 -0.02 0.00 -0.81 0.00 0.00 33.47 30.63 2rqt s TRP 1105CO -0.23 0.24 -0.23 0.42 -0.51 0.00 0.00 176.95 176.64 2rqt s ILE 1106N -2.55 2.23 0.00 2.03 1.01 0.10 -0.33 121.20 123.69 2rqt s ILE 1106Ca 0.40 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2rqt s ILE 1106Cb 0.02 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2rqt s ILE 1106CO 0.22 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.35 2rqt n GLY 1107N 2.73 1.10 3.10 6.18 0.00 -0.67 -0.09 105.19 117.54 2rqt n GLY 1107Ca -0.17 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.32 0.76 0.14 1.61 -3.43 -0.68 -1.28 115.29 108.10 2rqt s HIS 1108Ca 0.00 -0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 53.35 2rqt s HIS 1108Cb 0.00 -0.45 -0.07 0.00 -1.43 0.00 0.00 32.58 30.63 2rqt s HIS 1108CO 0.00 -0.09 1.15 0.42 -2.00 0.00 0.00 174.74 174.22 2rqt s ILE 1109N -1.97 3.86 0.22 -5.38 -1.09 0.72 -0.68 121.20 116.89 2rqt s ILE 1109Ca -0.04 1.50 -0.30 0.00 -2.23 0.00 0.00 60.65 59.59 2rqt s ILE 1109Cb -0.06 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.77 2rqt s ILE 1109CO -0.01 0.21 1.32 -1.61 -1.23 0.00 0.00 174.94 173.62 2rqt s GLU 1110N 0.10 4.38 0.00 2.79 0.41 0.91 -2.07 118.70 125.23 2rqt s GLU 1110Ca 0.53 2.09 0.00 0.00 -0.41 0.00 0.00 54.97 57.18 2rqt s GLU 1110Cb -0.30 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 2rqt s GLU 1110CO 0.34 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 2rqt n GLY 1111N 2.13 2.98 2.26 -1.39 0.00 -1.26 -4.81 105.19 105.10 2rqt n GLY 1111Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2rqt n GLY 1111CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rqt n GLN 1112N -2.00 1.16 0.00 1.61 6.02 -0.88 -4.95 117.38 118.34 2rqt n GLN 1112Ca 0.00 -3.55 0.06 0.00 -0.01 0.00 0.00 57.00 53.50 2rqt n GLN 1112Cb 0.00 -1.51 0.32 0.00 1.02 0.00 0.00 30.24 30.06 2rqt n GLN 1112CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2rqt n PRO 1113N 1.03 0.18 0.01 -1.09 -0.02 -1.08 -0.92 135.00 133.11 2rqt n PRO 1113Ca 0.24 0.17 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 2rqt n PRO 1113Cb 0.53 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 33.03 2rqt n PRO 1113CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2rqt n GLU 1114N -1.29 0.04 -3.32 -0.52 1.02 -1.26 -4.44 120.64 110.87 2rqt n GLU 1114Ca 0.06 0.03 -0.46 0.00 -0.02 0.00 0.00 57.16 56.76 2rqt n GLU 1114Cb 0.10 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 2rqt n GLU 1114CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2rqt s ARG 1115N -3.02 3.21 0.42 3.49 0.52 -0.10 -5.04 118.95 118.44 2rqt s ARG 1115Ca 0.13 -1.98 0.03 0.00 -0.52 0.00 0.00 55.73 53.39 2rqt s ARG 1115Cb 0.18 -4.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.28 2rqt s ARG 1115CO 0.57 -1.32 0.10 0.15 0.02 0.00 0.00 175.30 174.83 2rqt s LYS 1116N 1.08 1.94 0.00 3.54 1.02 -1.26 -0.20 119.74 125.87 2rqt s LYS 1116Ca 0.08 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.89 2rqt s LYS 1116Cb -0.23 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.31 2rqt s LYS 1116CO -0.01 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 2rqt n GLY 1117N -0.94 0.99 3.78 -3.33 0.00 -0.40 -4.43 105.19 100.85 2rqt n GLY 1117Ca -0.08 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.47 4.82 -0.01 1.61 -7.23 -0.55 -1.67 120.40 114.90 2rqt s VAL 1118Ca 0.00 1.28 0.02 0.00 -1.81 0.00 0.00 61.98 61.47 2rqt s VAL 1118Cb 0.00 -3.94 -0.00 0.00 0.56 0.00 0.00 36.38 33.00 2rqt s VAL 1118CO 0.00 0.47 -0.07 0.72 -0.31 0.00 0.00 175.10 175.91 2rqt s PHE 1119N -0.54 0.63 -0.03 2.82 -0.71 0.55 -0.79 117.98 119.89 2rqt s PHE 1119Ca 0.31 -0.12 -0.30 0.00 -1.04 0.00 0.00 56.93 55.78 2rqt s PHE 1119Cb -0.19 -0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 41.16 2rqt s PHE 1119CO 0.18 -0.02 1.48 -1.25 -1.34 0.00 0.00 175.22 174.28 2rqt s PRO 1120N -0.11 4.24 0.54 1.99 0.04 -1.25 -1.78 135.00 138.66 2rqt s PRO 1120Ca 0.02 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.38 2rqt s PRO 1120Cb -0.03 -3.73 1.55 0.00 0.04 0.00 0.00 34.50 32.33 2rqt s PRO 1120CO -0.00 -0.69 2.11 0.28 0.04 0.00 0.00 177.00 178.73 2rqt h VAL 1121N 5.19 0.49 0.00 -0.36 2.07 -1.30 -1.86 116.25 120.48 2rqt h VAL 1121Ca -0.37 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2rqt h VAL 1121Cb 1.17 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2rqt h VAL 1121CO 0.93 0.09 0.00 -1.20 0.02 0.00 0.00 177.57 177.41 2rqt n SER 1122N -3.59 0.00 -0.44 0.57 7.64 -1.26 -1.98 113.62 114.57 2rqt n SER 1122Ca -0.02 0.07 0.05 0.00 1.01 0.00 0.00 58.87 59.98 2rqt n SER 1122Cb 0.21 -0.28 0.07 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.28 0.11 -4.28 1.43 3.01 -0.70 -4.94 117.46 110.81 2rqt n PHE 1123Ca 0.07 -0.14 -0.23 0.00 1.01 0.00 0.00 57.45 58.16 2rqt n PHE 1123Cb 0.12 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.86 1.66 -0.33 -4.37 -7.23 -0.84 -0.68 120.40 107.75 2rqt s VAL 1124Ca 0.14 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 58.67 2rqt s VAL 1124Cb 0.09 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.51 2rqt s VAL 1124CO 0.13 -0.11 0.12 -2.28 -0.31 0.00 0.00 175.10 172.64 2rqt s HIS 1125N -1.30 3.22 0.40 2.82 2.46 0.15 -4.82 115.29 118.23 2rqt s HIS 1125Ca 0.07 -1.18 -0.25 0.00 0.47 0.00 0.00 55.06 54.17 2rqt s HIS 1125Cb -0.09 -2.31 -0.08 0.00 -0.13 0.00 0.00 32.58 29.97 2rqt s HIS 1125CO 0.04 -0.66 1.16 0.42 -2.47 0.00 0.00 174.74 173.23 2rqt s ILE 1126N 1.47 3.19 -0.53 0.89 1.01 -1.26 0.29 121.20 126.25 2rqt s ILE 1126Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 60.65 61.68 2rqt s ILE 1126Cb -0.19 -3.54 0.13 0.00 0.01 0.00 0.00 42.46 38.87 2rqt s ILE 1126CO 0.04 0.07 0.28 -0.76 0.00 0.00 0.00 174.94 174.57 2rqt s LEU 1127N -2.55 4.23 -0.31 2.97 1.43 0.88 -4.89 118.68 120.45 2rqt s LEU 1127Ca 0.58 -3.06 -0.02 0.00 -1.03 0.00 0.00 54.13 50.61 2rqt s LEU 1127Cb -0.30 -1.60 0.16 0.00 0.03 0.00 0.00 46.19 44.48 2rqt s LEU 1127CO 0.37 -0.22 2.20 -1.54 0.23 0.00 0.00 176.35 177.39 2rqt n SER 1128N 3.05 6.35 -0.89 2.29 3.41 -1.26 -3.71 113.62 122.85 2rqt n SER 1128Ca 0.06 -3.02 0.12 0.00 -0.26 0.00 0.00 58.87 55.77 2rqt n SER 1128Cb 0.32 -1.11 0.16 0.00 -0.26 0.00 0.00 64.21 63.33 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21