#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 1.99 0.32 5.55 3.52 -1.26 -4.84 118.95 124.23 2rqt s ARG 1070Ca 0.00 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.18 2rqt s ARG 1070Cb 0.00 -1.76 -0.06 0.00 -1.56 0.00 0.00 34.95 31.56 2rqt s ARG 1070CO 0.00 -0.11 0.01 1.03 -0.81 0.00 0.00 175.30 175.43 2rqt s ARG 1071N 1.13 1.65 0.09 5.12 0.52 -1.20 -1.20 118.95 125.05 2rqt s ARG 1071Ca -0.04 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 2rqt s ARG 1071Cb -0.14 -1.05 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 2rqt s ARG 1071CO -0.03 -0.09 -0.03 0.14 0.02 0.00 0.00 175.30 175.31 2rqt s VAL 1072N -3.13 0.42 -0.12 3.52 -7.23 0.11 0.05 120.40 114.01 2rqt s VAL 1072Ca 0.34 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2rqt s VAL 1072Cb 0.07 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.35 2rqt s VAL 1072CO 0.14 -0.84 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.34 2rqt s LYS 1073N -3.90 0.88 0.16 4.82 2.36 0.13 -0.56 119.74 123.62 2rqt s LYS 1073Ca 0.13 -0.18 -0.32 0.00 -2.55 0.00 0.00 55.97 53.05 2rqt s LYS 1073Cb 0.07 -1.52 -0.10 0.00 -1.05 0.00 0.00 37.83 35.23 2rqt s LYS 1073CO -0.05 -0.41 1.56 0.95 1.55 0.00 0.00 175.35 178.95 2rqt s THR 1074N 1.85 2.67 -1.42 3.43 -4.23 0.31 -0.09 115.64 118.16 2rqt s THR 1074Ca 0.03 0.47 0.14 0.00 -1.18 0.00 0.00 61.69 61.15 2rqt s THR 1074Cb -0.14 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.43 2rqt s THR 1074CO -0.07 0.03 0.82 2.30 -0.54 0.00 0.00 174.62 177.17 2rqt n ILE 1075N 4.00 0.00 -4.08 2.99 -5.35 0.77 -1.31 119.36 116.38 2rqt n ILE 1075Ca 0.14 -0.41 -0.09 0.00 -0.27 0.00 0.00 62.75 62.13 2rqt n ILE 1075Cb 0.39 1.21 -0.10 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 -1.51 0.53 0.01 4.28 2.02 -0.90 -4.86 117.35 116.92 2rqt s TYR 1076Ca 0.13 -0.88 -0.30 0.00 -0.37 0.00 0.00 57.07 55.66 2rqt s TYR 1076Cb 0.11 -0.37 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 2rqt s TYR 1076CO 0.29 -0.27 0.97 0.34 -1.57 0.00 0.00 175.55 175.30 2rqt s ASP 1077N -2.50 7.37 -0.32 2.29 2.15 -1.26 -3.51 116.67 120.89 2rqt s ASP 1077Ca 0.01 1.66 -0.02 0.00 0.43 0.00 0.00 52.55 54.63 2rqt s ASP 1077Cb 0.02 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.19 2rqt s ASP 1077CO -0.06 -0.24 0.17 0.00 -0.17 0.00 0.00 175.17 174.87 2rqt s GLN 1079N 1.57 3.27 0.08 0.00 -0.21 -1.26 -1.42 119.66 121.70 2rqt s GLN 1079Ca 0.14 -0.44 -0.36 0.00 0.02 0.00 0.00 55.36 54.72 2rqt s GLN 1079Cb -0.20 -4.01 -0.18 0.00 1.00 0.00 0.00 33.01 29.62 2rqt s GLN 1079CO -0.17 -1.19 0.98 0.00 -2.12 0.00 0.00 175.29 172.79 2rqt n ALA 1080N 6.58 -2.79 -0.03 6.09 0.00 -1.20 -4.91 120.51 124.25 2rqt n ALA 1080Ca -0.01 0.53 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 2rqt n ALA 1080Cb 0.47 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 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 1.78 0.91 -4.50 0.00 -0.08 -1.26 -4.95 116.55 108.45 2rqt n ASP 1081Ca 0.19 0.31 -0.26 0.00 -1.51 0.00 0.00 54.79 53.52 2rqt n ASP 1081Cb 0.16 0.01 -0.10 0.00 2.34 0.00 0.00 41.12 43.53 2rqt n ASP 1081CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2rqt s ASN 1082N -6.11 3.80 0.60 1.67 3.84 -1.26 -5.03 114.94 112.46 2rqt s ASN 1082Ca -0.09 -0.82 0.39 0.00 0.21 0.00 0.00 52.86 52.55 2rqt s ASN 1082Cb 0.07 -0.45 1.87 0.00 -0.55 0.00 0.00 41.25 42.19 2rqt s ASN 1082CO 0.81 0.08 2.17 0.44 -2.79 0.00 0.00 177.10 177.81 2rqt h ASP 1083N 2.71 0.00 0.84 -4.21 5.19 -2.01 -0.90 116.42 118.03 2rqt h ASP 1083Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2rqt h ASP 1083Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2rqt h ASP 1083CO 0.54 0.01 -0.42 0.47 -3.12 0.00 0.00 179.24 176.72 2rqt n ASP 1084N -3.11 0.55 -4.88 6.45 8.00 -1.26 -4.86 116.55 117.43 2rqt n ASP 1084Ca -0.01 0.11 -0.30 0.00 0.71 0.00 0.00 54.79 55.30 2rqt n ASP 1084Cb 0.19 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 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 -3.08 3.78 -0.02 -1.24 2.02 -0.35 0.14 118.70 119.94 2rqt s GLU 1085Ca 0.09 0.38 -0.07 0.00 0.02 0.00 0.00 54.97 55.39 2rqt s GLU 1085Cb 0.15 -2.47 -0.05 0.00 0.10 0.00 0.00 34.13 31.87 2rqt s GLU 1085CO 0.67 0.07 0.25 -1.17 0.02 0.00 0.00 175.26 175.10 2rqt s LEU 1086N -3.59 4.39 -0.26 1.80 2.96 -0.38 -4.68 118.68 118.91 2rqt s LEU 1086Ca 0.50 0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 54.88 2rqt s LEU 1086Cb -0.10 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 2rqt s LEU 1086CO 0.28 0.30 0.16 -0.89 -1.32 0.00 0.00 176.35 174.88 2rqt s THR 1087N -1.21 5.09 0.21 3.68 2.01 -1.26 -3.25 115.64 120.90 2rqt s THR 1087Ca 0.24 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 2rqt s THR 1087Cb -0.13 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 68.99 2rqt s THR 1087CO 0.13 0.29 0.51 0.72 -0.69 0.00 0.00 174.62 175.58 2rqt s PHE 1088N 1.57 0.02 0.38 4.92 -0.12 -0.51 -4.92 117.98 119.32 2rqt s PHE 1088Ca 0.07 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 2rqt s PHE 1088Cb -0.15 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 42.52 2rqt s PHE 1088CO 0.08 -0.94 0.05 0.96 -0.05 0.00 0.00 175.22 175.32 2rqt s ILE 1089N -3.92 1.34 -0.20 -4.49 -0.00 -1.26 -1.19 121.20 111.48 2rqt s ILE 1089Ca 0.13 -2.00 -0.32 0.00 -0.00 0.00 0.00 60.65 58.46 2rqt s ILE 1089Cb -0.01 -2.73 -0.09 0.00 -0.00 0.00 0.00 42.46 39.64 2rqt s ILE 1089CO 0.01 0.00 2.12 -0.62 -0.00 0.00 0.00 174.94 176.45 2rqt n GLU 1090N -0.86 1.85 0.00 0.37 1.02 -1.23 -2.27 120.64 119.52 2rqt n GLU 1090Ca -0.05 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2rqt n GLU 1090Cb 0.67 -2.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 2rqt n GLU 1090CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqt n GLY 1091N 5.58 1.19 3.82 0.62 0.00 -0.43 -4.99 105.19 110.97 2rqt n GLY 1091Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 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 4.13 -0.18 1.61 0.41 -0.96 -4.84 118.70 118.81 2rqt s GLU 1092Ca 0.00 0.66 -0.08 0.00 -0.41 0.00 0.00 54.97 55.13 2rqt s GLU 1092Cb 0.00 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.07 2rqt s GLU 1092CO 0.00 0.65 0.09 0.08 -0.49 0.00 0.00 175.26 175.59 2rqt s VAL 1093N -1.09 5.06 -0.03 2.63 1.01 -1.26 -0.53 120.40 126.19 2rqt s VAL 1093Ca 0.28 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.39 2rqt s VAL 1093Cb -0.19 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2rqt s VAL 1093CO 0.18 0.47 -0.24 -0.63 0.00 0.00 0.00 175.10 174.87 2rqt s ILE 1094N 0.24 1.92 -0.21 2.22 1.01 0.28 -0.25 121.20 126.41 2rqt s ILE 1094Ca 0.06 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 2rqt s ILE 1094Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2rqt s ILE 1094CO -0.00 0.54 0.44 -0.63 0.00 0.00 0.00 174.94 175.29 2rqt s ILE 1095N -0.48 5.16 -0.35 2.92 1.01 0.52 0.06 121.20 130.04 2rqt s ILE 1095Ca 0.07 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 2rqt s ILE 1095Cb -0.10 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 2rqt s ILE 1095CO -0.00 0.21 1.59 -0.69 0.00 0.00 0.00 174.94 176.05 2rqt s VAL 1096N 1.51 3.72 -0.78 2.92 1.01 -0.34 -1.78 120.40 126.65 2rqt s VAL 1096Ca 0.20 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.99 2rqt s VAL 1096Cb -0.15 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.35 2rqt s VAL 1096CO 0.09 -0.55 0.66 0.35 0.00 0.00 0.00 175.10 175.65 2rqt n THR 1097N 7.10 0.00 -3.74 3.92 -2.24 0.86 -4.69 114.28 115.49 2rqt n THR 1097Ca 0.19 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 2rqt n THR 1097Cb 0.47 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.70 -0.24 -0.06 3.38 0.00 0.77 -4.89 107.32 105.58 2rqt s GLY 1098Ca 0.07 0.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.01 2rqt s GLY 1098CO 0.11 0.68 0.13 -0.54 0.00 0.00 0.00 173.10 173.48 2rqt s GLU 1099N -2.75 0.12 -0.07 2.90 2.02 -1.26 -0.14 118.70 119.51 2rqt s GLU 1099Ca 0.15 0.27 -0.03 0.00 0.02 0.00 0.00 54.97 55.38 2rqt s GLU 1099Cb 0.01 -0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 2rqt s GLU 1099CO 0.00 -0.09 -0.08 0.39 0.02 0.00 0.00 175.26 175.50 2rqt n GLU 1100N 3.59 0.15 -2.68 1.61 -0.58 -0.57 -4.86 120.64 117.30 2rqt n GLU 1100Ca -0.19 0.06 -0.07 0.00 -0.42 0.00 0.00 57.16 56.54 2rqt n GLU 1100Cb 0.55 -0.83 -0.02 0.00 -0.57 0.00 0.00 31.44 30.58 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 -3.19 0.39 0.08 1.62 2.03 0.85 -4.99 116.55 113.34 2rqt n ASP 1101Ca -0.13 -1.64 -0.12 0.00 0.52 0.00 0.00 54.79 53.41 2rqt n ASP 1101Cb 0.60 0.40 -0.06 0.00 -0.72 0.00 0.00 41.12 41.35 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 0.28 -0.21 -0.67 4.15 -2.01 -3.30 115.11 113.35 2rqt h GLN 1102Ca -0.08 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2rqt h GLN 1102Cb 0.36 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2rqt h GLN 1102CO 0.12 1.07 0.00 -0.85 -1.93 0.00 0.00 178.83 177.25 2rqt n GLU 1103N -3.64 2.64 -3.54 1.69 0.28 -1.26 -4.77 120.64 112.03 2rqt n GLU 1103Ca -0.06 -2.47 -0.25 0.00 -0.16 0.00 0.00 57.16 54.22 2rqt n GLU 1103Cb 0.87 -1.56 -0.15 0.00 1.43 0.00 0.00 31.44 32.04 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 -2.20 0.11 0.43 -1.84 0.52 -1.24 -0.04 118.94 114.69 2rqt s TRP 1104Ca 0.31 -0.48 0.07 0.00 0.02 0.00 0.00 56.10 56.02 2rqt s TRP 1104Cb 0.24 -0.71 -0.04 0.00 -1.15 0.00 0.00 33.47 31.81 2rqt s TRP 1104CO 0.09 -0.72 0.23 -1.58 0.02 0.00 0.00 176.95 174.99 2rqt s TRP 1105N 2.17 2.49 -0.05 -1.98 0.51 -0.74 -0.11 118.94 121.23 2rqt s TRP 1105Ca 0.07 -0.62 0.05 0.00 -2.12 0.00 0.00 56.10 53.48 2rqt s TRP 1105Cb -0.16 -1.98 -0.02 0.00 -0.81 0.00 0.00 33.47 30.50 2rqt s TRP 1105CO -0.25 0.06 -0.18 0.42 -0.51 0.00 0.00 176.95 176.49 2rqt s ILE 1106N -2.61 2.68 0.00 2.03 1.01 0.80 -0.31 121.20 124.81 2rqt s ILE 1106Ca 0.40 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2rqt s ILE 1106Cb 0.02 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2rqt s ILE 1106CO 0.22 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.36 2rqt n GLY 1107N 2.50 1.06 3.00 6.18 0.00 -0.39 -0.10 105.19 117.44 2rqt n GLY 1107Ca -0.17 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.34 0.25 0.08 1.61 -3.43 -0.73 -0.87 115.29 108.86 2rqt s HIS 1108Ca 0.00 -0.52 -0.31 0.00 -0.80 0.00 0.00 55.06 53.43 2rqt s HIS 1108Cb 0.00 -0.19 -0.07 0.00 -1.43 0.00 0.00 32.58 30.89 2rqt s HIS 1108CO 0.00 -0.21 1.45 0.42 -2.00 0.00 0.00 174.74 174.40 2rqt s ILE 1109N -1.57 3.32 0.00 -5.38 -1.09 0.91 -0.36 121.20 117.03 2rqt s ILE 1109Ca -0.15 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 58.84 2rqt s ILE 1109Cb -0.09 -3.56 -0.08 0.00 -1.58 0.00 0.00 42.46 37.15 2rqt s ILE 1109CO -0.01 0.04 2.01 -1.61 -1.23 0.00 0.00 174.94 174.14 2rqt s GLU 1110N 1.73 3.99 0.00 2.79 0.41 0.65 -1.20 118.70 127.08 2rqt s GLU 1110Ca 0.66 2.54 0.00 0.00 -0.41 0.00 0.00 54.97 57.76 2rqt s GLU 1110Cb -0.36 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 27.79 2rqt s GLU 1110CO 0.30 -1.13 0.00 0.41 -0.49 0.00 0.00 175.26 174.35 2rqt n GLY 1111N 4.73 1.80 2.54 -1.39 0.00 -1.26 -4.86 105.19 106.75 2rqt n GLY 1111Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 0.87 0.00 1.61 6.02 -0.34 -4.96 117.38 118.58 2rqt n GLN 1112Ca 0.00 -3.67 0.06 0.00 -0.01 0.00 0.00 57.00 53.38 2rqt n GLN 1112Cb 0.00 -1.86 0.28 0.00 1.02 0.00 0.00 30.24 29.68 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 2.34 0.03 0.21 -1.09 -0.02 -1.24 -0.97 135.00 134.26 2rqt n PRO 1113Ca 0.26 0.26 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 2rqt n PRO 1113Cb 0.44 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.62 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 -4.61 -0.52 4.39 -1.93 -3.40 114.58 108.51 2rqt h GLU 1114Ca 0.00 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 58.98 2rqt h GLU 1114Cb 0.20 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.64 2rqt h GLU 1114CO 0.00 0.12 0.46 1.03 -1.16 0.00 0.00 179.01 179.46 2rqt s ARG 1115N -3.22 3.48 0.36 2.33 1.81 -0.14 -5.00 118.95 118.58 2rqt s ARG 1115Ca 0.06 -1.87 0.04 0.00 -1.72 0.00 0.00 55.73 52.23 2rqt s ARG 1115Cb 0.06 -4.62 -0.03 0.00 -0.45 0.00 0.00 34.95 29.90 2rqt s ARG 1115CO 0.67 -1.58 0.13 0.15 -0.68 0.00 0.00 175.30 173.99 2rqt s LYS 1116N 1.95 1.79 0.00 3.54 1.02 -1.26 -0.07 119.74 126.71 2rqt s LYS 1116Ca 0.24 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.17 2rqt s LYS 1116Cb -0.10 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 2rqt s LYS 1116CO -0.06 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 2rqt n GLY 1117N -0.78 0.93 3.77 -3.33 0.00 -0.05 -4.34 105.19 101.39 2rqt n GLY 1117Ca -0.03 -1.93 -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 -2.35 4.67 -0.02 1.61 -7.23 0.12 -1.26 120.40 115.93 2rqt s VAL 1118Ca 0.00 1.49 0.02 0.00 -1.81 0.00 0.00 61.98 61.68 2rqt s VAL 1118Cb 0.00 -4.04 0.00 0.00 0.56 0.00 0.00 36.38 32.90 2rqt s VAL 1118CO 0.00 0.46 -0.08 0.72 -0.31 0.00 0.00 175.10 175.89 2rqt s PHE 1119N -0.59 0.83 -0.10 2.82 -0.71 0.58 -1.25 117.98 119.56 2rqt s PHE 1119Ca 0.34 -0.19 -0.29 0.00 -1.04 0.00 0.00 56.93 55.75 2rqt s PHE 1119Cb -0.21 -0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 40.98 2rqt s PHE 1119CO 0.22 -0.07 1.55 -1.25 -1.34 0.00 0.00 175.22 174.32 2rqt s PRO 1120N 0.11 4.16 0.54 1.99 0.04 -1.26 -1.79 135.00 138.79 2rqt s PRO 1120Ca -0.01 2.00 0.32 0.00 0.04 0.00 0.00 61.00 63.35 2rqt s PRO 1120Cb -0.07 -3.93 1.39 0.00 0.04 0.00 0.00 34.50 31.93 2rqt s PRO 1120CO 0.00 -0.85 2.00 0.28 0.04 0.00 0.00 177.00 178.47 2rqt h VAL 1121N 5.61 0.17 0.00 -0.36 2.07 -0.76 -0.75 116.25 122.22 2rqt h VAL 1121Ca -0.35 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2rqt h VAL 1121Cb 1.16 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2rqt h VAL 1121CO 0.96 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 177.07 2rqt n SER 1122N -3.20 0.00 -0.75 0.57 3.41 -1.26 -2.19 113.62 110.20 2rqt n SER 1122Ca -0.00 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.04 2rqt n SER 1122Cb 0.30 -0.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.97 2rqt n SER 1122CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2rqt n PHE 1123N -1.44 0.40 -4.23 7.33 3.01 -0.29 -4.96 117.46 117.29 2rqt n PHE 1123Ca 0.06 -0.33 -0.13 0.00 1.01 0.00 0.00 57.45 58.05 2rqt n PHE 1123Cb 0.19 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.07 0.12 0.21 -4.37 -7.23 -0.93 -0.16 120.40 106.97 2rqt s VAL 1124Ca 0.26 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.52 2rqt s VAL 1124Cb 0.14 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2rqt s VAL 1124CO 0.20 0.00 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.92 2rqt s HIS 1125N -4.06 2.65 -0.13 2.82 3.76 0.87 -4.79 115.29 116.42 2rqt s HIS 1125Ca 0.39 -0.22 -0.07 0.00 -0.15 0.00 0.00 55.06 55.01 2rqt s HIS 1125Cb 0.07 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 2rqt s HIS 1125CO 0.13 0.56 0.13 0.42 -0.85 0.00 0.00 174.74 175.12 2rqt s ILE 1126N -1.93 5.39 -0.16 0.60 1.09 -1.26 0.17 121.20 125.11 2rqt s ILE 1126Ca 0.27 0.17 -0.04 0.00 -1.10 0.00 0.00 60.65 59.95 2rqt s ILE 1126Cb -0.08 -3.36 -0.03 0.00 -1.06 0.00 0.00 42.46 37.93 2rqt s ILE 1126CO 0.17 0.59 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.83 2rqt s LEU 1127N -0.79 3.40 0.00 2.97 1.43 0.11 -4.92 118.68 120.88 2rqt s LEU 1127Ca 0.14 -0.07 0.23 0.00 -1.03 0.00 0.00 54.13 53.40 2rqt s LEU 1127Cb -0.12 -1.83 0.98 0.00 0.03 0.00 0.00 46.19 45.26 2rqt s LEU 1127CO 0.03 0.18 1.68 -1.54 0.23 0.00 0.00 176.35 176.93 2rqt n SER 1128N 3.46 1.15 -0.93 2.29 3.41 -1.26 -3.28 113.62 118.45 2rqt n SER 1128Ca -0.17 -1.55 0.12 0.00 -0.26 0.00 0.00 58.87 57.01 2rqt n SER 1128Cb 0.52 -0.05 0.13 0.00 -0.26 0.00 0.00 64.21 64.55 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21