#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 4.37 0.22 5.55 3.52 -1.26 -4.89 118.95 126.46 2rqt s ARG 1070Ca 0.00 1.90 0.09 0.00 -0.13 0.00 0.00 55.73 57.59 2rqt s ARG 1070Cb 0.00 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 2rqt s ARG 1070CO 0.00 -0.07 -0.16 1.03 -0.81 0.00 0.00 175.30 175.30 2rqt s ARG 1071N -1.85 1.41 0.03 5.12 0.52 -1.13 -0.87 118.95 122.19 2rqt s ARG 1071Ca 0.50 -1.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2rqt s ARG 1071Cb -0.33 -1.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.84 2rqt s ARG 1071CO 0.43 0.22 -0.06 0.14 0.02 0.00 0.00 175.30 176.05 2rqt s VAL 1072N -2.86 0.37 -0.25 3.52 -7.23 0.11 0.10 120.40 114.14 2rqt s VAL 1072Ca 0.24 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2rqt s VAL 1072Cb -0.02 -0.51 0.07 0.00 0.56 0.00 0.00 36.38 36.48 2rqt s VAL 1072CO 0.09 -0.45 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.65 2rqt s LYS 1073N -1.62 1.54 0.26 4.82 2.36 0.73 -0.09 119.74 127.74 2rqt s LYS 1073Ca -0.12 -1.10 -0.31 0.00 -2.55 0.00 0.00 55.97 51.89 2rqt s LYS 1073Cb -0.09 -2.61 -0.13 0.00 -1.05 0.00 0.00 37.83 33.95 2rqt s LYS 1073CO -0.00 -0.67 1.51 0.25 1.55 0.00 0.00 175.35 177.99 2rqt n THR 1074N 4.64 0.88 0.20 3.43 -2.24 -0.32 -0.13 114.28 120.73 2rqt n THR 1074Ca -0.10 -0.22 0.03 0.00 -2.27 0.00 0.00 64.05 61.49 2rqt n THR 1074Cb 0.44 -1.71 0.03 0.00 -2.10 0.00 0.00 70.33 66.98 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 2.20 0.06 -3.98 2.28 -5.35 -0.52 -1.19 119.36 112.86 2rqt n ILE 1075Ca 0.11 -0.53 -0.09 0.00 -0.27 0.00 0.00 62.75 61.97 2rqt n ILE 1075Cb 0.34 1.07 -0.11 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.47 0.26 0.11 4.28 2.02 -1.09 -4.81 117.35 117.65 2rqt s TYR 1076Ca 0.06 -0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 2rqt s TYR 1076Cb 0.04 -0.19 -0.06 0.00 -0.40 0.00 0.00 41.96 41.35 2rqt s TYR 1076CO 0.07 -0.23 1.04 0.34 -1.57 0.00 0.00 175.55 175.20 2rqt s ASP 1077N -1.64 7.34 -0.15 2.29 2.15 -1.26 -3.75 116.67 121.66 2rqt s ASP 1077Ca -0.13 1.90 0.00 0.00 0.43 0.00 0.00 52.55 54.76 2rqt s ASP 1077Cb -0.07 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.98 2rqt s ASP 1077CO -0.02 -0.20 -0.15 0.00 -0.17 0.00 0.00 175.17 174.63 2rqt s GLN 1079N 1.45 2.47 0.29 0.00 -0.21 -1.26 -1.78 119.66 120.62 2rqt s GLN 1079Ca 0.04 -1.88 -0.29 0.00 0.02 0.00 0.00 55.36 53.25 2rqt s GLN 1079Cb -0.13 -3.88 -0.10 0.00 1.00 0.00 0.00 33.01 29.89 2rqt s GLN 1079CO -0.10 -1.18 1.43 0.00 -2.12 0.00 0.00 175.29 173.32 2rqt s ALA 1080N 1.14 3.60 -0.08 6.09 0.00 -1.26 -4.91 121.76 126.35 2rqt s ALA 1080Ca 0.08 1.38 0.13 0.00 0.00 0.00 0.00 51.96 53.54 2rqt s ALA 1080Cb -0.24 -3.56 -0.18 0.00 0.00 0.00 0.00 23.12 19.13 2rqt s ALA 1080CO -0.02 -0.79 0.16 -0.25 0.00 0.00 0.00 175.76 174.86 2rqt n ASP 1081N 1.67 1.83 -4.75 0.00 8.00 -1.26 -4.97 116.55 117.07 2rqt n ASP 1081Ca 0.04 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 2rqt n ASP 1081Cb 0.40 1.20 -0.07 0.00 -0.02 0.00 0.00 41.12 42.62 2rqt n ASP 1081CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2rqt s ASN 1082N -4.13 5.43 0.19 -2.24 0.01 -1.26 -5.00 114.94 107.95 2rqt s ASN 1082Ca -0.06 0.03 0.21 0.00 -0.71 0.00 0.00 52.86 52.34 2rqt s ASN 1082Cb 0.06 -1.48 0.89 0.00 0.41 0.00 0.00 41.25 41.14 2rqt s ASN 1082CO 0.55 0.24 1.66 0.47 -1.51 0.00 0.00 177.10 178.50 2rqt n ASP 1083N 0.98 0.50 -0.13 -1.22 8.00 -1.26 -1.29 116.55 122.14 2rqt n ASP 1083Ca -0.12 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.13 2rqt n ASP 1083Cb 0.52 -0.73 0.35 0.00 -0.02 0.00 0.00 41.12 41.24 2rqt n ASP 1083CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2rqt n ASP 1084N -2.05 0.74 -4.96 -2.24 8.00 -1.26 -4.87 116.55 109.91 2rqt n ASP 1084Ca 0.03 -0.57 -0.22 0.00 0.71 0.00 0.00 54.79 54.74 2rqt n ASP 1084Cb 0.22 0.15 -0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.72 3.28 0.00 -1.24 2.02 -0.41 -1.12 118.70 118.51 2rqt s GLU 1085Ca 0.19 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2rqt s GLU 1085Cb 0.19 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2rqt s GLU 1085CO 0.59 0.02 0.00 -1.17 0.02 0.00 0.00 175.26 174.72 2rqt s LEU 1086N -4.34 3.51 -0.18 1.80 2.96 -0.86 -4.66 118.68 116.91 2rqt s LEU 1086Ca 0.43 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2rqt s LEU 1086Cb -0.10 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2rqt s LEU 1086CO 0.35 0.28 0.02 -0.89 -1.32 0.00 0.00 176.35 174.79 2rqt s THR 1087N -1.09 4.27 0.13 3.68 2.01 -1.26 -4.02 115.64 119.36 2rqt s THR 1087Ca 0.20 -0.22 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 2rqt s THR 1087Cb -0.12 -2.91 0.06 0.00 0.01 0.00 0.00 72.50 69.55 2rqt s THR 1087CO 0.10 0.46 0.57 0.72 -0.69 0.00 0.00 174.62 175.78 2rqt s PHE 1088N 0.59 -0.48 0.43 4.92 -0.12 -0.73 -5.00 117.98 117.58 2rqt s PHE 1088Ca 0.00 0.32 0.06 0.00 -0.05 0.00 0.00 56.93 57.27 2rqt s PHE 1088Cb -0.14 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 2rqt s PHE 1088CO 0.02 -0.79 0.10 0.96 -0.05 0.00 0.00 175.22 175.45 2rqt s ILE 1089N -3.48 2.00 -0.19 -4.49 -0.00 -1.26 -0.01 121.20 113.76 2rqt s ILE 1089Ca -0.00 -1.85 -0.33 0.00 -0.00 0.00 0.00 60.65 58.47 2rqt s ILE 1089Cb -0.00 -2.85 -0.10 0.00 -0.00 0.00 0.00 42.46 39.51 2rqt s ILE 1089CO -0.10 0.00 2.07 -0.62 -0.00 0.00 0.00 174.94 176.29 2rqt n GLU 1090N -1.15 1.85 0.00 0.37 4.71 -1.25 -2.15 120.64 123.02 2rqt n GLU 1090Ca -0.05 0.60 0.00 0.00 -0.01 0.00 0.00 57.16 57.70 2rqt n GLU 1090Cb 0.66 -2.78 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 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 5.39 1.21 3.69 0.62 0.00 -0.33 -4.97 105.19 110.80 2rqt n GLY 1091Ca 0.30 0.00 -0.39 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 4.31 -0.17 1.61 0.41 -0.91 -4.87 118.70 119.02 2rqt s GLU 1092Ca 0.00 0.64 -0.22 0.00 -0.41 0.00 0.00 54.97 54.98 2rqt s GLU 1092Cb 0.00 -3.50 -0.02 0.00 -1.78 0.00 0.00 34.13 28.82 2rqt s GLU 1092CO 0.00 -0.05 0.69 0.08 -0.49 0.00 0.00 175.26 175.50 2rqt s VAL 1093N 1.24 4.99 -0.10 2.63 1.01 -1.26 -1.17 120.40 127.74 2rqt s VAL 1093Ca 0.30 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.66 2rqt s VAL 1093Cb -0.16 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2rqt s VAL 1093CO 0.13 0.12 -0.19 -0.63 0.00 0.00 0.00 175.10 174.52 2rqt s ILE 1094N 1.77 2.52 -0.29 2.22 1.01 0.87 -0.05 121.20 129.23 2rqt s ILE 1094Ca 0.33 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 2rqt s ILE 1094Cb -0.16 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 2rqt s ILE 1094CO 0.12 0.55 0.38 -0.63 0.00 0.00 0.00 174.94 175.36 2rqt s ILE 1095N 0.20 5.16 -0.44 2.92 1.01 -0.26 0.05 121.20 129.84 2rqt s ILE 1095Ca -0.12 0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 2rqt s ILE 1095Cb -0.16 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2rqt s ILE 1095CO 0.06 0.07 1.76 -0.69 0.00 0.00 0.00 174.94 176.15 2rqt s VAL 1096N 2.09 3.50 -0.31 2.92 1.01 -0.05 -1.68 120.40 127.88 2rqt s VAL 1096Ca 0.15 0.45 0.22 0.00 0.00 0.00 0.00 61.98 62.80 2rqt s VAL 1096Cb -0.16 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 2rqt s VAL 1096CO 0.11 -0.63 0.72 0.35 0.00 0.00 0.00 175.10 175.65 2rqt n THR 1097N 7.30 0.11 -3.88 3.92 -2.24 0.85 -4.37 114.28 115.97 2rqt n THR 1097Ca 0.21 -0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 2rqt n THR 1097Cb 0.49 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 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 -4.12 0.10 -0.04 3.38 0.00 0.66 -4.97 107.32 102.34 2rqt s GLY 1098Ca -0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 2rqt s GLY 1098CO 0.87 -0.22 0.01 -0.54 0.00 0.00 0.00 173.10 173.22 2rqt s GLU 1099N -3.66 0.36 -0.24 2.90 2.02 -1.26 -0.10 118.70 118.71 2rqt s GLU 1099Ca 0.14 0.13 -0.16 0.00 0.02 0.00 0.00 54.97 55.10 2rqt s GLU 1099Cb -0.05 -0.65 -0.11 0.00 0.10 0.00 0.00 34.13 33.42 2rqt s GLU 1099CO 0.08 -0.21 -0.28 0.39 0.02 0.00 0.00 175.26 175.26 2rqt n GLU 1100N 4.63 0.57 -1.19 1.61 -0.58 -0.34 -4.89 120.64 120.45 2rqt n GLU 1100Ca -0.16 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2rqt n GLU 1100Cb 0.50 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 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 -4.34 0.00 0.07 1.62 -0.08 0.26 -4.99 116.55 109.09 2rqt n ASP 1101Ca -0.40 -0.62 -0.07 0.00 -1.51 0.00 0.00 54.79 52.19 2rqt n ASP 1101Cb 0.74 0.00 0.08 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 0.29 0.00 -0.67 4.15 -2.02 -3.30 115.11 113.56 2rqt h GLN 1102Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2rqt h GLN 1102Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2rqt h GLN 1102CO 0.00 0.85 0.00 -0.85 -1.93 0.00 0.00 178.83 176.90 2rqt n GLU 1103N -3.84 2.93 -3.65 1.69 0.28 -1.26 -4.84 120.64 111.94 2rqt n GLU 1103Ca -0.03 -1.48 -0.27 0.00 -0.16 0.00 0.00 57.16 55.22 2rqt n GLU 1103Cb 0.66 -0.99 -0.16 0.00 1.43 0.00 0.00 31.44 32.37 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 -0.98 0.64 0.32 -1.84 0.52 -1.24 -1.62 118.94 114.75 2rqt s TRP 1104Ca 0.00 -0.73 0.08 0.00 0.02 0.00 0.00 56.10 55.47 2rqt s TRP 1104Cb 0.00 -0.94 -0.04 0.00 -1.15 0.00 0.00 33.47 31.34 2rqt s TRP 1104CO 0.00 -0.64 0.14 -1.58 0.02 0.00 0.00 176.95 174.90 2rqt s TRP 1105N 1.99 2.76 -0.10 -1.98 0.51 -0.79 -0.57 118.94 120.76 2rqt s TRP 1105Ca 0.03 -0.33 0.01 0.00 -2.12 0.00 0.00 56.10 53.69 2rqt s TRP 1105Cb -0.16 -1.58 -0.02 0.00 -0.81 0.00 0.00 33.47 30.90 2rqt s TRP 1105CO -0.15 0.37 -0.13 0.42 -0.51 0.00 0.00 176.95 176.95 2rqt s ILE 1106N -2.37 3.10 0.04 2.03 1.01 0.86 -0.34 121.20 125.53 2rqt s ILE 1106Ca 0.37 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2rqt s ILE 1106Cb -0.04 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.17 2rqt s ILE 1106CO 0.23 0.55 0.08 0.61 0.00 0.00 0.00 174.94 176.42 2rqt n GLY 1107N 2.98 1.81 3.08 6.18 0.00 -0.45 -0.11 105.19 118.68 2rqt n GLY 1107Ca -0.18 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -8.01 0.67 0.12 1.61 -3.43 -0.68 -1.33 115.29 104.25 2rqt s HIS 1108Ca 0.02 -0.59 -0.31 0.00 -0.80 0.00 0.00 55.06 53.38 2rqt s HIS 1108Cb -0.00 -0.40 -0.07 0.00 -1.43 0.00 0.00 32.58 30.67 2rqt s HIS 1108CO 0.01 -0.11 1.29 0.42 -2.00 0.00 0.00 174.74 174.35 2rqt s ILE 1109N -1.87 3.55 0.21 -5.38 -1.09 -0.23 -1.10 121.20 115.28 2rqt s ILE 1109Ca -0.06 1.16 -0.31 0.00 -2.23 0.00 0.00 60.65 59.21 2rqt s ILE 1109Cb -0.07 -3.74 -0.11 0.00 -1.58 0.00 0.00 42.46 36.96 2rqt s ILE 1109CO -0.01 0.12 1.60 -0.70 -1.23 0.00 0.00 174.94 174.72 2rqt s GLU 1110N 0.69 4.18 0.00 2.79 -6.30 0.92 -2.05 118.70 118.93 2rqt s GLU 1110Ca 0.60 2.46 0.00 0.00 -2.50 0.00 0.00 54.97 55.52 2rqt s GLU 1110Cb -0.34 -3.11 0.00 0.00 0.00 0.00 0.00 34.13 30.69 2rqt s GLU 1110CO 0.32 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.38 2rqt n GLY 1111N 3.38 2.62 2.78 -1.50 0.00 -1.26 -4.89 105.19 106.33 2rqt n GLY 1111Ca 0.13 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 1.34 0.00 1.61 2.00 -0.87 -4.96 119.66 118.78 2rqt s GLN 1112Ca 0.00 -1.97 0.16 0.00 -2.00 0.00 0.00 55.36 51.55 2rqt s GLN 1112Cb 0.00 -2.52 0.96 0.00 0.80 0.00 0.00 33.01 32.25 2rqt s GLN 1112CO 0.00 -1.11 1.52 -2.30 -0.50 0.00 0.00 175.29 172.90 2rqt n PRO 1113N 3.70 0.86 0.09 1.67 -0.02 -1.23 -2.27 135.00 137.80 2rqt n PRO 1113Ca 0.06 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.66 2rqt n PRO 1113Cb 0.36 -1.29 0.15 0.00 -0.02 0.00 0.00 33.50 32.69 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 -3.99 -0.52 5.08 -1.93 -3.41 114.58 109.82 2rqt h GLU 1114Ca 0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.59 2rqt h GLU 1114Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 2rqt h GLU 1114CO 0.00 0.00 0.08 0.50 -1.00 0.00 0.00 179.01 178.59 2rqt s ARG 1115N -3.21 3.46 0.42 2.33 3.52 -0.96 -5.02 118.95 119.48 2rqt s ARG 1115Ca 0.05 -2.23 0.03 0.00 -0.13 0.00 0.00 55.73 53.45 2rqt s ARG 1115Cb 0.12 -4.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 2rqt s ARG 1115CO 0.72 -1.34 0.08 0.15 -0.81 0.00 0.00 175.30 174.11 2rqt s LYS 1116N 0.69 1.95 0.00 5.12 1.02 -1.26 -1.07 119.74 126.19 2rqt s LYS 1116Ca 0.15 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.96 2rqt s LYS 1116Cb -0.14 -0.92 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 2rqt s LYS 1116CO -0.06 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 2rqt n GLY 1117N -0.96 0.09 3.82 -3.33 0.00 -0.44 -4.46 105.19 99.91 2rqt n GLY 1117Ca -0.08 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.65 4.70 -0.02 1.61 -7.23 -0.27 -1.35 120.40 115.19 2rqt s VAL 1118Ca 0.00 1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 61.29 2rqt s VAL 1118Cb 0.00 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 33.12 2rqt s VAL 1118CO 0.00 0.32 0.04 0.72 -0.31 0.00 0.00 175.10 175.88 2rqt s PHE 1119N -1.38 -0.02 0.07 2.82 -0.71 0.54 -2.02 117.98 117.27 2rqt s PHE 1119Ca 0.37 0.15 -0.31 0.00 -1.04 0.00 0.00 56.93 56.11 2rqt s PHE 1119Cb -0.17 -0.10 -0.08 0.00 -1.21 0.00 0.00 43.02 41.46 2rqt s PHE 1119CO 0.20 -0.06 1.67 -1.25 -1.34 0.00 0.00 175.22 174.44 2rqt s PRO 1120N 0.58 4.19 0.51 1.99 0.04 -1.25 -1.88 135.00 139.18 2rqt s PRO 1120Ca -0.05 2.36 0.19 0.00 0.04 0.00 0.00 61.00 63.54 2rqt s PRO 1120Cb -0.07 -3.62 1.30 0.00 0.04 0.00 0.00 34.50 32.15 2rqt s PRO 1120CO -0.02 -0.75 2.11 0.28 0.04 0.00 0.00 177.00 178.66 2rqt h VAL 1121N 4.84 0.92 0.00 -0.36 2.07 -1.63 -1.92 116.25 120.18 2rqt h VAL 1121Ca -0.43 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2rqt h VAL 1121Cb 1.20 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2rqt h VAL 1121CO 0.93 0.07 0.00 -1.20 0.02 0.00 0.00 177.57 177.39 2rqt n SER 1122N -4.27 0.00 -0.26 0.57 7.64 -1.26 -2.28 113.62 113.75 2rqt n SER 1122Ca -0.03 -1.41 0.04 0.00 1.01 0.00 0.00 58.87 58.49 2rqt n SER 1122Cb 0.15 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.61 0.00 -4.31 1.43 3.01 -0.72 -4.99 117.46 111.28 2rqt n PHE 1123Ca 0.04 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.26 2rqt n PHE 1123Cb 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.37 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 -0.92 1.79 -0.48 -4.37 -7.23 -0.97 -1.44 120.40 106.77 2rqt s VAL 1124Ca 0.08 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 2rqt s VAL 1124Cb 0.07 -1.68 0.11 0.00 0.56 0.00 0.00 36.38 35.44 2rqt s VAL 1124CO 0.15 -0.13 0.39 -2.28 -0.31 0.00 0.00 175.10 172.91 2rqt s HIS 1125N -1.44 3.34 0.32 2.82 2.46 0.81 -4.83 115.29 118.77 2rqt s HIS 1125Ca 0.10 -1.53 -0.29 0.00 0.47 0.00 0.00 55.06 53.81 2rqt s HIS 1125Cb -0.09 -3.47 -0.10 0.00 -0.13 0.00 0.00 32.58 28.79 2rqt s HIS 1125CO 0.05 -0.96 1.32 0.42 -2.47 0.00 0.00 174.74 173.11 2rqt s ILE 1126N 1.48 2.72 -0.33 0.89 1.01 -1.26 -0.19 121.20 125.51 2rqt s ILE 1126Ca 0.04 0.71 -0.09 0.00 0.00 0.00 0.00 60.65 61.31 2rqt s ILE 1126Cb -0.27 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2rqt s ILE 1126CO 0.02 0.16 0.14 -0.76 0.00 0.00 0.00 174.94 174.50 2rqt s LEU 1127N -1.58 4.28 -0.07 2.97 1.43 0.11 -4.87 118.68 120.96 2rqt s LEU 1127Ca 0.50 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2rqt s LEU 1127Cb -0.40 -1.95 0.19 0.00 0.03 0.00 0.00 46.19 44.06 2rqt s LEU 1127CO 0.51 -0.29 0.91 -1.20 0.23 0.00 0.00 176.35 176.52 2rqt n SER 1128N 4.92 2.42 0.00 2.29 7.64 -1.26 -2.83 113.62 126.79 2rqt n SER 1128Ca -0.13 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2rqt n SER 1128Cb 0.47 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36