#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuq s TYR 1070N 0.00 3.19 -0.35 1.96 5.04 -1.26 -0.01 117.35 125.91 3kuq s TYR 1070Ca 0.00 -0.12 0.03 0.00 -2.44 0.00 0.00 57.07 54.54 3kuq s TYR 1070Cb 0.00 -2.36 0.10 0.00 0.35 0.00 0.00 41.96 40.05 3kuq s TYR 1070CO 0.00 -0.26 0.08 -0.06 -1.34 0.00 0.00 175.55 173.97 3kuq s PHE 1071N 1.71 3.32 0.30 4.97 0.40 -0.55 -4.99 117.98 123.15 3kuq s PHE 1071Ca 0.06 -2.80 -0.29 0.00 -0.60 0.00 0.00 56.93 53.30 3kuq s PHE 1071Cb -0.16 -2.69 -0.11 0.00 0.51 0.00 0.00 43.02 40.57 3kuq s PHE 1071CO 0.09 -0.91 1.45 -1.14 0.70 0.00 0.00 175.22 175.40 3kuq s GLN 1072N 0.90 4.23 -0.11 0.44 0.74 -1.26 -2.21 119.66 122.38 3kuq s GLN 1072Ca 0.12 2.39 0.00 0.00 0.05 0.00 0.00 55.36 57.92 3kuq s GLN 1072Cb -0.19 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3kuq s GLN 1072CO -0.10 -0.43 0.00 0.41 -0.55 0.00 0.00 175.29 174.62 3kuq n GLY 1073N 1.48 0.49 0.02 2.59 0.00 -1.26 -4.93 105.19 103.58 3kuq n GLY 1073Ca 0.04 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.52 3kuq n GLY 1073CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kuq n SER 1074N 1.13 0.35 0.04 1.61 3.41 -0.94 -4.51 113.62 114.70 3kuq n SER 1074Ca -0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3kuq n SER 1074Cb 0.05 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kuq n SER 1074CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kuq n VAL 1075N -1.40 0.21 -2.47 -3.33 0.31 -1.26 -4.86 118.33 105.53 3kuq n VAL 1075Ca 0.07 0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 64.04 3kuq n VAL 1075Cb 0.33 -0.94 -0.02 0.00 -0.91 0.00 0.00 33.84 32.30 3kuq n VAL 1075CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3kuq s PHE 1076N -2.00 2.81 0.00 3.52 0.40 -1.26 -2.47 117.98 118.97 3kuq s PHE 1076Ca 0.00 0.96 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 3kuq s PHE 1076Cb 0.00 -3.79 0.00 0.00 0.51 0.00 0.00 43.02 39.74 3kuq s PHE 1076CO 0.00 -1.52 0.00 0.41 0.70 0.00 0.00 175.22 174.81 3kuq n GLY 1077N 4.10 0.12 3.75 4.36 0.00 -1.19 -4.63 105.19 111.70 3kuq n GLY 1077Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3kuq n GLY 1077CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kuq s VAL 1078N -2.00 4.60 0.55 1.61 1.01 -1.03 -4.21 120.40 120.93 3kuq s VAL 1078Ca 0.00 1.68 -0.19 0.00 0.00 0.00 0.00 61.98 63.47 3kuq s VAL 1078Cb 0.00 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 3kuq s VAL 1078CO 0.00 0.41 1.11 -2.84 0.00 0.00 0.00 175.10 173.78 3kuq s PRO 1079N -0.39 3.37 0.29 2.72 0.02 -1.26 -4.69 135.00 135.06 3kuq s PRO 1079Ca 0.38 1.52 0.04 0.00 0.02 0.00 0.00 61.00 62.97 3kuq s PRO 1079Cb -0.21 -2.02 0.73 0.00 0.02 0.00 0.00 34.50 33.02 3kuq s PRO 1079CO 0.24 -0.82 1.73 -0.07 -0.33 0.00 0.00 177.00 177.75 3kuq h LEU 1080N 1.09 0.53 -1.02 -5.54 3.38 -1.97 -1.52 115.31 110.27 3kuq h LEU 1080Ca -0.49 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3kuq h LEU 1080Cb 1.25 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 3kuq h LEU 1080CO 0.57 0.12 0.23 0.71 0.09 0.00 0.00 178.44 180.15 3kuq h THR 1081N 0.55 1.23 -0.25 0.22 1.35 -1.92 -1.92 112.91 112.17 3kuq h THR 1081Ca 0.56 -0.75 -0.12 0.00 -0.55 0.00 0.00 66.41 65.56 3kuq h THR 1081Cb 0.99 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3kuq h THR 1081CO -0.46 0.29 -0.34 0.58 -0.25 0.00 0.00 175.52 175.35 3kuq h VAL 1082N 0.91 1.29 -0.90 6.82 2.07 -1.66 -1.49 116.25 123.30 3kuq h VAL 1082Ca 0.21 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.30 3kuq h VAL 1082Cb 0.21 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3kuq h VAL 1082CO -0.01 0.46 0.59 0.78 0.02 0.00 0.00 177.57 179.40 3kuq h ASN 1083N 0.46 0.99 -0.39 0.57 2.35 -1.00 -0.59 115.58 117.98 3kuq h ASN 1083Ca 0.05 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3kuq h ASN 1083Cb 0.81 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3kuq h ASN 1083CO 0.07 0.70 0.18 0.58 -1.65 0.00 0.00 177.43 177.31 3kuq h VAL 1084N 1.16 1.17 -0.71 2.81 2.07 -0.95 0.13 116.25 121.94 3kuq h VAL 1084Ca 0.34 -0.49 0.13 0.00 0.82 0.00 0.00 66.70 67.50 3kuq h VAL 1084Cb -0.06 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 3kuq h VAL 1084CO -0.10 0.18 0.26 1.56 0.02 0.00 0.00 177.57 179.49 3kuq h GLN 1085N 0.48 0.39 0.24 1.57 4.20 -0.71 -1.54 115.11 119.74 3kuq h GLN 1085Ca 0.13 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.50 3kuq h GLN 1085Cb 0.12 -0.09 0.03 0.00 0.30 0.00 0.00 27.48 27.85 3kuq h GLN 1085CO -0.02 0.26 -1.44 0.00 -0.67 0.00 0.00 178.83 176.96 3kuq h ARG 1086N 0.40 0.50 0.00 1.46 3.08 -0.83 -3.42 114.38 115.57 3kuq h ARG 1086Ca 0.39 -0.85 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3kuq h ARG 1086Cb 0.57 0.32 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3kuq h ARG 1086CO -0.40 1.41 0.00 0.25 -1.07 0.00 0.00 179.97 180.16 3kuq n THR 1087N -3.75 0.00 0.00 2.04 -2.24 0.01 -5.01 114.28 105.32 3kuq n THR 1087Ca -0.18 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3kuq n THR 1087Cb 1.07 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 3kuq n THR 1087CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kuq n GLY 1088N 0.74 1.28 3.05 3.38 0.00 -0.58 -5.02 105.19 108.03 3kuq n GLY 1088Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3kuq n GLY 1088CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kuq s GLN 1089N -0.81 0.44 0.47 1.61 -0.21 -1.26 -4.85 119.66 115.07 3kuq s GLN 1089Ca 0.00 -0.68 0.19 0.00 0.02 0.00 0.00 55.36 54.89 3kuq s GLN 1089Cb 0.00 0.17 1.17 0.00 1.00 0.00 0.00 33.01 35.35 3kuq s GLN 1089CO 0.00 -0.09 2.02 -1.00 -2.12 0.00 0.00 175.29 174.10 3kuq h PRO 1090N 4.17 0.00 -5.59 2.91 0.13 -1.84 -2.92 132.00 128.86 3kuq h PRO 1090Ca -0.32 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.16 3kuq h PRO 1090Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 3kuq h PRO 1090CO 0.46 0.16 -0.64 -0.51 -0.23 0.00 0.00 178.00 177.24 3kuq s LEU 1091N -8.17 3.44 0.62 1.56 1.43 -1.26 -4.63 118.68 111.66 3kuq s LEU 1091Ca -0.04 0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 52.88 3kuq s LEU 1091Cb 0.15 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3kuq s LEU 1091CO 0.66 0.26 1.21 -2.65 0.23 0.00 0.00 176.35 176.05 3kuq n PRO 1092N 2.96 1.14 -0.22 1.29 -0.02 -1.26 -4.79 135.00 134.10 3kuq n PRO 1092Ca -0.18 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 61.81 3kuq n PRO 1092Cb 0.53 -2.43 0.33 0.00 -0.02 0.00 0.00 33.50 31.90 3kuq n PRO 1092CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3kuq h GLN 1093N 0.66 0.79 0.00 -0.52 1.08 -1.95 -0.84 115.11 114.33 3kuq h GLN 1093Ca -0.50 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 56.65 3kuq h GLN 1093Cb 1.34 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 3kuq h GLN 1093CO 0.53 0.52 -0.01 0.66 -0.95 0.00 0.00 178.83 179.58 3kuq h SER 1094N 0.81 0.00 0.26 1.46 4.64 -1.91 0.23 113.55 119.05 3kuq h SER 1094Ca 0.35 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.33 3kuq h SER 1094Cb 0.31 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3kuq h SER 1094CO -0.13 0.01 -1.59 0.40 -0.87 0.00 0.00 176.83 174.66 3kuq h ILE 1095N 0.00 1.14 -0.41 0.95 1.08 -1.54 -3.10 117.51 115.64 3kuq h ILE 1095Ca -0.00 -2.65 -0.05 0.00 -0.39 0.00 0.00 64.86 61.77 3kuq h ILE 1095Cb 0.02 2.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.66 3kuq h ILE 1095CO 0.00 0.83 0.04 1.56 -0.69 0.00 0.00 178.15 179.90 3kuq h GLN 1096N 0.12 0.63 0.00 2.37 4.20 -0.40 -2.38 115.11 119.66 3kuq h GLN 1096Ca -0.29 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 3kuq h GLN 1096Cb 2.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.81 3kuq h GLN 1096CO 0.23 0.62 -0.17 1.96 -0.67 0.00 0.00 178.83 180.80 3kuq h GLN 1097N 0.61 0.00 -0.21 1.46 4.20 -0.63 -0.72 115.11 119.83 3kuq h GLN 1097Ca 0.13 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 3kuq h GLN 1097Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3kuq h GLN 1097CO 0.01 0.17 -0.20 0.00 -0.67 0.00 0.00 178.83 178.14 3kuq h ALA 1098N 1.83 0.30 -0.59 3.87 0.00 -1.35 -0.24 119.26 123.08 3kuq h ALA 1098Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3kuq h ALA 1098Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kuq h ALA 1098CO 0.02 0.23 0.15 0.52 0.00 0.00 0.00 179.25 180.17 3kuq h MET 1099N 0.18 0.94 -0.79 0.00 2.86 -1.26 -1.55 114.93 115.31 3kuq h MET 1099Ca 0.03 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 3kuq h MET 1099Cb 0.74 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 3kuq h MET 1099CO 0.05 0.86 0.30 0.00 1.06 0.00 0.00 176.91 179.18 3kuq h ARG 1100N 0.85 1.19 -0.36 1.72 3.08 -1.02 -0.30 114.38 119.53 3kuq h ARG 1100Ca 0.18 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3kuq h ARG 1100Cb 0.34 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3kuq h ARG 1100CO 0.00 0.97 0.17 -0.92 -1.07 0.00 0.00 179.97 179.12 3kuq h TYR 1101N 1.15 0.53 -0.59 3.04 3.20 -0.76 0.31 116.97 123.86 3kuq h TYR 1101Ca 0.26 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.12 3kuq h TYR 1101Cb 0.23 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3kuq h TYR 1101CO 0.02 0.46 0.38 -0.07 -1.64 0.00 0.00 178.16 177.31 3kuq h LEU 1102N 0.45 0.64 -0.39 2.82 3.38 -0.94 -1.95 115.31 119.31 3kuq h LEU 1102Ca 0.12 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3kuq h LEU 1102Cb 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kuq h LEU 1102CO -0.01 0.45 -0.64 -0.09 0.09 0.00 0.00 178.44 178.24 3kuq h ARG 1103N 0.76 0.60 0.04 1.13 2.43 -0.73 -1.55 114.38 117.06 3kuq h ARG 1103Ca 0.22 -0.43 -0.23 0.00 -0.81 0.00 0.00 59.98 58.74 3kuq h ARG 1103Cb -0.04 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3kuq h ARG 1103CO -0.07 1.05 -1.00 -0.91 -1.51 0.00 0.00 179.97 177.53 3kuq h ASN 1104N 0.44 0.35 0.00 -3.80 2.35 -0.28 -3.42 115.58 111.22 3kuq h ASN 1104Ca -0.01 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3kuq h ASN 1104Cb 1.22 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3kuq h ASN 1104CO 0.12 1.16 -0.15 1.41 -1.65 0.00 0.00 177.43 178.32 3kuq n HIS 1105N -3.62 0.00 0.02 1.19 8.25 -0.74 -4.88 115.22 115.44 3kuq n HIS 1105Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3kuq n HIS 1105Cb 0.88 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.00 3kuq n HIS 1105CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kuq n LEU 1107N -0.06 0.00 -1.11 0.00 4.77 -1.15 -1.74 117.00 117.71 3kuq n LEU 1107Ca 0.01 0.43 0.09 0.00 -0.03 0.00 0.00 56.01 56.50 3kuq n LEU 1107Cb 0.08 -0.43 0.26 0.00 -2.33 0.00 0.00 43.42 41.00 3kuq n LEU 1107CO 0.01 -0.25 0.72 -0.90 -1.33 0.00 0.00 177.39 175.63 3kuq n ASP 1108N -1.43 3.22 -4.56 -1.43 5.68 -1.26 -4.12 116.55 112.65 3kuq n ASP 1108Ca 0.04 -2.08 -0.42 0.00 -0.50 0.00 0.00 54.79 51.83 3kuq n ASP 1108Cb 0.13 -0.41 -0.07 0.00 -1.14 0.00 0.00 41.12 39.63 3kuq n ASP 1108CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3kuq s GLN 1109N -1.36 3.61 0.25 0.11 -1.52 -0.71 -4.63 119.66 115.41 3kuq s GLN 1109Ca 0.39 -0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.45 3kuq s GLN 1109Cb 0.21 -3.83 -0.11 0.00 -0.22 0.00 0.00 33.01 29.06 3kuq s GLN 1109CO 0.24 -0.77 1.55 0.08 -0.25 0.00 0.00 175.29 176.15 3kuq s VAL 1110N 2.69 2.37 -0.86 1.09 1.01 -1.26 -2.51 120.40 122.93 3kuq s VAL 1110Ca 0.23 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3kuq s VAL 1110Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3kuq s VAL 1110CO 0.15 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3kuq n GLY 1111N 2.65 0.76 3.64 4.51 0.00 -0.18 -4.84 105.19 111.74 3kuq n GLY 1111Ca 0.09 -0.62 -0.47 0.00 0.00 0.00 0.00 46.02 45.03 3kuq n GLY 1111CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kuq n LEU 1112N -1.04 2.56 0.00 0.99 7.94 -1.05 -0.58 117.00 125.83 3kuq n LEU 1112Ca -0.09 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 3kuq n LEU 1112Cb 0.36 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 42.96 3kuq n LEU 1112CO 0.13 -0.69 0.00 0.49 -1.11 0.00 0.00 177.39 176.20 3kuq n PHE 1113N 2.25 0.00 -0.09 1.96 3.72 -1.26 -4.79 117.46 119.25 3kuq n PHE 1113Ca 0.14 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.42 3kuq n PHE 1113Cb 0.28 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 3kuq n PHE 1113CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3kuq n ARG 1114N -1.97 0.50 -2.09 -1.08 0.63 0.26 -4.85 116.66 108.06 3kuq n ARG 1114Ca 0.00 0.20 -0.41 0.00 -0.92 0.00 0.00 57.85 56.72 3kuq n ARG 1114Cb 0.00 -1.37 -0.02 0.00 0.45 0.00 0.00 32.46 31.52 3kuq n ARG 1114CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3kuq s LYS 1115N -2.76 4.32 0.37 -0.14 1.02 -0.23 -4.97 119.74 117.35 3kuq s LYS 1115Ca -0.29 2.23 -0.26 0.00 0.02 0.00 0.00 55.97 57.68 3kuq s LYS 1115Cb 0.06 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 34.19 3kuq s LYS 1115CO 0.41 -0.28 1.14 -1.12 -0.92 0.00 0.00 175.35 174.58 3kuq s SER 1116N -0.12 6.75 0.54 2.83 0.01 -1.26 -4.88 113.70 117.57 3kuq s SER 1116Ca 0.53 2.29 0.00 0.00 1.31 0.00 0.00 55.95 60.09 3kuq s SER 1116Cb -0.40 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.21 3kuq s SER 1116CO 0.48 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 174.23 3kuq n GLY 1117N 0.72 -0.35 3.50 3.44 0.00 -1.23 -4.87 105.19 106.40 3kuq n GLY 1117Ca 0.03 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 3kuq n GLY 1117CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kuq s VAL 1118N -0.24 4.62 0.26 1.61 1.01 -1.26 -4.93 120.40 121.46 3kuq s VAL 1118Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3kuq s VAL 1118Cb 0.00 -3.16 0.38 0.00 0.00 0.00 0.00 36.38 33.59 3kuq s VAL 1118CO 0.00 0.33 1.59 0.07 0.00 0.00 0.00 175.10 177.09 3kuq h LYS 1119N 8.10 0.01 -0.50 2.72 -0.00 -1.98 0.16 116.57 125.08 3kuq h LYS 1119Ca -0.37 -0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.15 3kuq h LYS 1119Cb 1.18 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.39 3kuq h LYS 1119CO 0.58 0.01 -0.18 0.66 -0.00 0.00 0.00 179.45 180.52 3kuq h SER 1120N 0.01 1.02 -0.20 7.07 4.64 -1.98 0.54 113.55 124.65 3kuq h SER 1120Ca 0.43 -0.37 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 3kuq h SER 1120Cb 0.69 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3kuq h SER 1120CO -0.88 1.17 -0.14 0.03 -0.87 0.00 0.00 176.83 176.14 3kuq h ARG 1121N 0.88 0.60 -0.35 4.77 3.08 -1.74 -0.27 114.38 121.36 3kuq h ARG 1121Ca 0.12 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 3kuq h ARG 1121Cb 0.75 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3kuq h ARG 1121CO 0.06 0.73 0.00 0.82 -1.07 0.00 0.00 179.97 180.51 3kuq h ILE 1122N 0.55 1.26 -0.29 2.04 2.04 0.45 -2.21 117.51 121.35 3kuq h ILE 1122Ca 0.10 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3kuq h ILE 1122Cb 0.56 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3kuq h ILE 1122CO 0.04 0.32 0.15 -0.61 0.00 0.00 0.00 178.15 178.04 3kuq h GLN 1123N 0.42 0.41 -0.98 2.37 5.75 0.08 -1.37 115.11 121.80 3kuq h GLN 1123Ca 0.10 -0.06 0.12 0.00 -0.15 0.00 0.00 58.65 58.66 3kuq h GLN 1123Cb 0.45 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 28.85 3kuq h GLN 1123CO 0.02 0.38 0.62 0.00 -2.65 0.00 0.00 178.83 177.20 3kuq h ALA 1124N 1.01 1.57 -0.37 3.38 0.00 -0.98 -1.56 119.26 122.31 3kuq h ALA 1124Ca 0.10 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3kuq h ALA 1124Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kuq h ALA 1124CO -0.01 0.20 -0.38 -0.07 0.00 0.00 0.00 179.25 178.99 3kuq h LEU 1125N 0.96 0.94 -0.74 0.00 3.38 -0.90 -1.10 115.31 117.86 3kuq h LEU 1125Ca 0.48 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3kuq h LEU 1125Cb 0.48 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3kuq h LEU 1125CO -0.24 1.21 0.40 0.03 0.09 0.00 0.00 178.44 179.93 3kuq h ARG 1126N 0.73 0.66 -0.38 1.13 3.08 -0.60 -1.48 114.38 117.51 3kuq h ARG 1126Ca 0.06 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 3kuq h ARG 1126Cb 0.96 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3kuq h ARG 1126CO 0.09 0.44 -0.31 1.96 -1.07 0.00 0.00 179.97 181.08 3kuq h GLN 1127N 0.68 0.83 -0.42 0.04 4.20 -0.91 -1.37 115.11 118.17 3kuq h GLN 1127Ca 0.35 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3kuq h GLN 1127Cb 0.33 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3kuq h GLN 1127CO -0.24 1.03 0.07 0.52 -0.67 0.00 0.00 178.83 179.53 3kuq h MET 1128N 0.70 0.64 0.00 1.46 2.86 -0.93 -2.55 114.93 117.11 3kuq h MET 1128Ca 0.08 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3kuq h MET 1128Cb 0.86 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3kuq h MET 1128CO 0.08 0.61 -0.35 -0.91 1.06 0.00 0.00 176.91 177.40 3kuq h ASN 1129N 0.62 0.00 -0.66 1.22 2.35 -0.38 -3.06 115.58 115.67 3kuq h ASN 1129Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3kuq h ASN 1129Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3kuq h ASN 1129CO 0.00 0.35 0.00 -0.62 -1.65 0.00 0.00 177.43 175.51 3kuq n GLU 1130N -3.97 3.16 -1.85 0.81 1.02 -0.60 -4.84 120.64 114.36 3kuq n GLU 1130Ca -0.02 -2.62 -0.40 0.00 -0.02 0.00 0.00 57.16 54.10 3kuq n GLU 1130Cb 0.41 -1.72 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 3kuq n GLU 1130CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kuq s GLY 1131N -0.93 2.92 0.25 0.62 0.00 -1.11 -1.48 107.32 107.59 3kuq s GLY 1131Ca 0.48 1.41 -0.03 0.00 0.00 0.00 0.00 44.72 46.57 3kuq s GLY 1131CO 0.27 2.01 1.83 0.00 0.00 0.00 0.00 173.10 177.21 3kuq h ALA 1132N 2.35 1.25 -2.37 3.20 0.00 -0.76 -3.39 119.26 119.54 3kuq h ALA 1132Ca -0.51 0.02 -0.54 0.00 0.00 0.00 0.00 54.91 53.88 3kuq h ALA 1132Cb 1.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kuq h ALA 1132CO 0.61 0.18 0.77 0.96 0.00 0.00 0.00 179.25 181.77 3kuq s ILE 1133N -6.03 3.89 -1.28 0.00 -0.00 -1.26 -4.94 121.20 111.58 3kuq s ILE 1133Ca -0.12 1.27 -0.14 0.00 -0.00 0.00 0.00 60.65 61.65 3kuq s ILE 1133Cb 0.20 -3.81 0.12 0.00 -0.00 0.00 0.00 42.46 38.96 3kuq s ILE 1133CO 0.79 0.01 1.70 -0.67 -0.00 0.00 0.00 174.94 176.77 3kuq n ASP 1134N 5.16 4.94 -3.61 4.36 2.03 -1.26 -4.81 116.55 123.36 3kuq n ASP 1134Ca 0.12 -2.96 -0.01 0.00 0.52 0.00 0.00 54.79 52.46 3kuq n ASP 1134Cb 0.45 -1.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.16 3kuq n ASP 1134CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kuq s VAL 1136N 1.43 0.29 -0.32 0.00 1.01 -1.26 -4.95 120.40 116.60 3kuq s VAL 1136Ca -0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 3kuq s VAL 1136Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 3kuq s VAL 1136CO -0.14 0.09 0.18 0.21 0.00 0.00 0.00 175.10 175.43 3kuq s ASN 1137N -0.01 5.68 0.00 3.32 2.47 -1.26 -4.93 114.94 120.20 3kuq s ASN 1137Ca 0.01 -0.56 0.25 0.00 0.42 0.00 0.00 52.86 52.98 3kuq s ASN 1137Cb -0.02 -2.03 0.38 0.00 -1.45 0.00 0.00 41.25 38.13 3kuq s ASN 1137CO -0.00 -0.23 1.34 -1.22 -3.72 0.00 0.00 177.10 173.27 3kuq n TYR 1138N 5.01 0.00 -1.88 0.43 4.01 -1.26 -4.97 117.16 118.50 3kuq n TYR 1138Ca -0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.20 3kuq n TYR 1138Cb 0.49 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 3kuq n TYR 1138CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3kuq s GLU 1139N -2.33 4.17 0.00 -0.72 2.02 -1.26 -1.36 118.70 119.22 3kuq s GLU 1139Ca 0.25 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.72 3kuq s GLU 1139Cb 0.19 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3kuq s GLU 1139CO 0.47 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.70 3kuq n GLY 1140N 0.80 1.64 3.79 -1.39 0.00 -1.26 -5.05 105.19 103.73 3kuq n GLY 1140Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3kuq n GLY 1140CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kuq s GLN 1141N -0.46 4.46 0.28 1.61 -1.52 -0.46 -5.02 119.66 118.55 3kuq s GLN 1141Ca 0.00 1.12 -0.30 0.00 -1.95 0.00 0.00 55.36 54.23 3kuq s GLN 1141Cb 0.00 -2.92 -0.11 0.00 -0.22 0.00 0.00 33.01 29.76 3kuq s GLN 1141CO 0.00 0.38 1.51 0.45 -0.25 0.00 0.00 175.29 177.39 3kuq s SER 1142N -1.54 6.51 0.47 5.90 0.15 -1.26 -4.89 113.70 119.04 3kuq s SER 1142Ca 0.45 2.82 0.18 0.00 0.70 0.00 0.00 55.95 60.09 3kuq s SER 1142Cb -0.19 -2.63 1.16 0.00 -1.71 0.00 0.00 66.02 62.65 3kuq s SER 1142CO 0.23 -0.81 1.99 0.00 1.20 0.00 0.00 173.24 175.86 3kuq h ALA 1143N 4.85 2.17 0.00 5.45 0.00 -1.95 -2.38 119.26 127.39 3kuq h ALA 1143Ca -0.47 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 3kuq h ALA 1143Cb 1.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3kuq h ALA 1143CO 0.78 -0.30 -0.77 1.88 0.00 0.00 0.00 179.25 180.83 3kuq h TYR 1144N 0.26 0.00 -0.15 0.00 0.05 -1.90 0.16 116.97 115.40 3kuq h TYR 1144Ca 0.26 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.98 3kuq h TYR 1144Cb 0.67 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 3kuq h TYR 1144CO -0.00 0.77 -0.15 -0.44 -1.05 0.00 0.00 178.16 177.29 3kuq h ASP 1145N 0.00 0.39 -0.72 3.88 3.32 -1.77 -1.75 116.42 119.77 3kuq h ASP 1145Ca -0.01 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 3kuq h ASP 1145Cb 1.49 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 3kuq h ASP 1145CO 0.10 0.79 0.29 0.58 -1.72 0.00 0.00 179.24 179.29 3kuq h VAL 1146N -0.01 1.25 -0.26 -1.35 2.07 -1.40 0.25 116.25 116.79 3kuq h VAL 1146Ca 0.02 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 3kuq h VAL 1146Cb 0.69 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3kuq h VAL 1146CO 0.04 0.31 -0.12 0.00 0.02 0.00 0.00 177.57 177.82 3kuq h ALA 1147N 1.14 0.36 -0.71 1.67 0.00 -0.98 -0.16 119.26 120.58 3kuq h ALA 1147Ca 0.24 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kuq h ALA 1147Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kuq h ALA 1147CO -0.02 0.22 0.17 -0.44 0.00 0.00 0.00 179.25 179.18 3kuq h ASP 1148N 0.26 1.08 -0.48 0.00 5.19 -1.16 -1.66 116.42 119.65 3kuq h ASP 1148Ca 0.06 -0.23 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 3kuq h ASP 1148Cb 0.62 -0.29 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 3kuq h ASP 1148CO 0.04 1.04 0.31 -0.03 -3.12 0.00 0.00 179.24 177.47 3kuq h MET 1149N 1.08 0.61 -0.60 3.56 4.05 -0.21 -0.75 114.93 122.67 3kuq h MET 1149Ca 0.22 -0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.69 3kuq h MET 1149Cb 0.38 -0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 30.97 3kuq h MET 1149CO 0.00 0.41 0.24 -0.07 0.23 0.00 0.00 176.91 177.72 3kuq h LEU 1150N 0.63 0.27 -0.50 3.39 3.38 -0.56 0.15 115.31 122.06 3kuq h LEU 1150Ca 0.18 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3kuq h LEU 1150Cb -0.06 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3kuq h LEU 1150CO -0.05 0.16 0.28 0.11 0.09 0.00 0.00 178.44 179.04 3kuq h LYS 1151N 0.44 0.54 -0.97 1.13 1.57 -0.88 -2.40 116.57 115.99 3kuq h LYS 1151Ca 0.30 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3kuq h LYS 1151Cb 0.34 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 3kuq h LYS 1151CO -0.28 0.36 0.64 1.96 -0.57 0.00 0.00 179.45 181.55 3kuq h GLN 1152N 0.55 1.24 -0.25 3.15 4.20 -0.11 -0.93 115.11 122.97 3kuq h GLN 1152Ca 0.21 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.91 3kuq h GLN 1152Cb 0.07 -0.28 -0.08 0.00 0.30 0.00 0.00 27.48 27.49 3kuq h GLN 1152CO -0.12 0.82 -0.32 -0.92 -0.67 0.00 0.00 178.83 177.63 3kuq h TYR 1153N 1.28 -0.88 -0.10 2.96 3.20 -0.24 0.20 116.97 123.39 3kuq h TYR 1153Ca 0.37 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.19 3kuq h TYR 1153Cb -0.09 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3kuq h TYR 1153CO -0.00 -0.39 -0.35 0.74 -1.64 0.00 0.00 178.16 176.53 3kuq h PHE 1154N -0.32 0.23 -0.59 -3.82 0.04 -1.24 -2.58 116.94 108.66 3kuq h PHE 1154Ca 0.13 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 3kuq h PHE 1154Cb 0.53 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 3kuq h PHE 1154CO -0.46 0.53 0.07 -0.09 -0.60 0.00 0.00 178.31 177.75 3kuq h ARG 1155N 0.18 0.97 0.00 1.51 2.43 -0.53 -3.11 114.38 115.83 3kuq h ARG 1155Ca 0.02 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3kuq h ARG 1155Cb 0.70 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3kuq h ARG 1155CO 0.05 0.91 -0.36 -0.25 -1.51 0.00 0.00 179.97 178.82 3kuq n ASP 1156N -4.22 0.44 -4.55 -3.80 8.00 0.64 -4.88 116.55 108.19 3kuq n ASP 1156Ca 0.04 0.10 -0.44 0.00 0.71 0.00 0.00 54.79 55.20 3kuq n ASP 1156Cb 0.29 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 3kuq n ASP 1156CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kuq n LEU 1157N -1.70 1.31 0.26 0.64 4.77 -1.00 -3.14 117.00 118.13 3kuq n LEU 1157Ca 0.05 1.12 0.17 0.00 -0.03 0.00 0.00 56.01 57.32 3kuq n LEU 1157Cb 0.37 -1.24 0.65 0.00 -2.33 0.00 0.00 43.42 40.88 3kuq n LEU 1157CO 0.33 -1.79 0.97 1.55 -1.33 0.00 0.00 177.39 177.12 3kuq h PRO 1158N 1.65 0.00 -3.95 3.23 0.13 -1.84 -3.41 132.00 127.81 3kuq h PRO 1158Ca -0.39 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.45 3kuq h PRO 1158Cb 1.36 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.20 3kuq h PRO 1158CO 0.58 0.00 -0.74 -2.00 -0.23 0.00 0.00 178.00 175.62 3kuq s GLU 1159N -3.62 0.22 0.60 0.86 2.56 -1.26 -5.13 118.70 112.94 3kuq s GLU 1159Ca 0.02 -0.06 -0.19 0.00 0.00 0.00 0.00 54.97 54.74 3kuq s GLU 1159Cb 0.09 -0.25 -0.04 0.00 2.00 0.00 0.00 34.13 35.93 3kuq s GLU 1159CO 0.53 0.02 1.14 -0.35 -0.56 0.00 0.00 175.26 176.04 3kuq n PRO 1160N 3.24 1.11 -0.29 4.30 -0.04 -1.26 -4.87 135.00 137.19 3kuq n PRO 1160Ca -0.15 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 3kuq n PRO 1160Cb 0.57 -2.35 0.27 0.00 -0.04 0.00 0.00 33.50 31.95 3kuq n PRO 1160CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3kuq h LEU 1161N 0.68 0.33 0.00 1.53 5.85 -1.78 -0.39 115.31 121.54 3kuq h LEU 1161Ca -0.50 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3kuq h LEU 1161Cb 1.35 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3kuq h LEU 1161CO 0.53 0.05 0.00 0.23 -0.34 0.00 0.00 178.44 178.91 3kuq n MET 1162N -5.02 0.32 -1.05 1.25 2.81 -0.72 -4.87 117.12 109.84 3kuq n MET 1162Ca 0.20 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.25 3kuq n MET 1162Cb 0.57 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.52 3kuq n MET 1162CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3kuq n THR 1163N -1.32 -0.79 0.23 2.03 -2.24 -0.16 -4.28 114.28 107.76 3kuq n THR 1163Ca 0.11 0.72 0.11 0.00 -2.27 0.00 0.00 64.05 62.73 3kuq n THR 1163Cb 0.22 -1.09 0.50 0.00 -2.10 0.00 0.00 70.33 67.86 3kuq n THR 1163CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3kuq h ASN 1164N -0.95 0.00 0.70 3.42 2.35 -1.87 -3.24 115.58 115.99 3kuq h ASN 1164Ca -0.14 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.39 3kuq h ASN 1164Cb 0.98 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3kuq h ASN 1164CO 0.05 0.18 -1.01 0.11 -1.65 0.00 0.00 177.43 175.11 3kuq h LYS 1165N 0.00 0.17 0.00 0.81 6.56 -1.95 -3.36 116.57 118.79 3kuq h LYS 1165Ca -0.00 -0.23 -0.04 0.00 -1.06 0.00 0.00 60.65 59.32 3kuq h LYS 1165Cb 0.69 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.43 3kuq h LYS 1165CO 0.02 1.04 -0.18 -0.07 -2.06 0.00 0.00 179.45 178.20 3kuq h LEU 1166N 0.07 0.00 -0.84 2.94 3.38 -1.74 -0.04 115.31 119.08 3kuq h LEU 1166Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3kuq h LEU 1166Cb 1.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 3kuq h LEU 1166CO 0.15 0.18 0.24 0.77 0.09 0.00 0.00 178.44 179.87 3kuq h SER 1167N 0.00 1.02 -0.23 -0.43 4.64 -1.78 0.14 113.55 116.90 3kuq h SER 1167Ca -0.00 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 60.99 3kuq h SER 1167Cb 0.48 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3kuq h SER 1167CO 0.02 0.94 -0.37 -0.08 -0.87 0.00 0.00 176.83 176.48 3kuq h GLU 1168N 1.06 0.77 -0.51 4.77 4.81 -1.28 -2.31 114.58 121.89 3kuq h GLU 1168Ca 0.23 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 3kuq h GLU 1168Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3kuq h GLU 1168CO -0.01 1.01 -0.19 1.15 -0.73 0.00 0.00 179.01 180.24 3kuq h THR 1169N 0.64 1.27 -0.79 0.32 2.02 -1.05 -2.06 112.91 113.25 3kuq h THR 1169Ca 0.06 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 3kuq h THR 1169Cb 0.92 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 3kuq h THR 1169CO 0.08 0.47 0.43 -0.26 0.37 0.00 0.00 175.52 176.62 3kuq h PHE 1170N 0.89 1.08 -0.10 3.16 -1.00 -0.69 -1.10 116.94 119.18 3kuq h PHE 1170Ca 0.12 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.89 3kuq h PHE 1170Cb 0.77 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 3kuq h PHE 1170CO 0.05 0.75 -0.01 1.25 -1.61 0.00 0.00 178.31 178.75 3kuq h LEU 1171N 1.11 -0.05 -0.90 1.54 5.85 -1.02 -1.50 115.31 120.34 3kuq h LEU 1171Ca 0.28 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.09 3kuq h LEU 1171Cb 0.03 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3kuq h LEU 1171CO -0.04 -0.01 0.56 1.56 -0.34 0.00 0.00 178.44 180.17 3kuq h GLN 1172N 0.03 0.98 -0.13 1.25 4.20 -1.10 0.46 115.11 120.79 3kuq h GLN 1172Ca 0.05 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.74 3kuq h GLN 1172Cb 0.06 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 3kuq h GLN 1172CO -0.08 0.65 -0.10 0.82 -0.67 0.00 0.00 178.83 179.44 3kuq h ILE 1173N 1.01 0.70 0.00 2.54 2.04 -0.66 0.22 117.51 123.36 3kuq h ILE 1173Ca 0.40 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.15 3kuq h ILE 1173Cb 0.19 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3kuq h ILE 1173CO -0.18 0.00 -0.52 1.88 0.00 0.00 0.00 178.15 179.33 3kuq h TYR 1174N -0.11 0.00 0.00 1.37 0.05 -0.34 -1.14 116.97 116.80 3kuq h TYR 1174Ca 0.09 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.75 3kuq h TYR 1174Cb 0.24 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3kuq h TYR 1174CO -0.23 0.52 -0.53 1.96 -1.05 0.00 0.00 178.16 178.83 3kuq h GLN 1175N 0.00 0.00 0.00 4.88 4.20 0.66 -3.43 115.11 121.42 3kuq h GLN 1175Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kuq h GLN 1175Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3kuq h GLN 1175CO 0.07 0.53 -0.59 0.66 -0.67 0.00 0.00 178.83 178.84 3kuq n TYR 1176N -3.85 0.00 -2.50 2.96 4.02 0.70 -5.05 117.16 113.44 3kuq n TYR 1176Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 3kuq n TYR 1176Cb 0.55 0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.84 3kuq n TYR 1176CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kuq s VAL 1177N -1.60 3.81 0.47 -0.72 1.01 -0.45 -5.03 120.40 117.89 3kuq s VAL 1177Ca 0.00 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.35 3kuq s VAL 1177Cb 0.00 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3kuq s VAL 1177CO 0.00 0.28 1.02 -2.16 0.00 0.00 0.00 175.10 174.25 3kuq s PRO 1178N -0.47 3.91 0.08 2.72 0.04 -1.26 -4.70 135.00 135.32 3kuq s PRO 1178Ca 0.49 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.70 3kuq s PRO 1178Cb -0.30 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3kuq s PRO 1178CO 0.36 -0.33 0.96 0.36 0.04 0.00 0.00 177.00 178.38 3kuq n LYS 1179N -0.83 -0.23 0.00 4.56 0.00 -1.26 0.84 118.16 121.24 3kuq n LYS 1179Ca 0.09 0.95 0.06 0.00 -0.00 0.00 0.00 58.31 59.40 3kuq n LYS 1179Cb 0.53 -1.40 0.32 0.00 -0.00 0.00 0.00 35.03 34.48 3kuq n LYS 1179CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3kuq n ASP 1180N -4.37 0.00 -0.42 -5.58 3.85 -1.26 -1.81 116.55 106.96 3kuq n ASP 1180Ca 0.01 0.08 0.05 0.00 -0.71 0.00 0.00 54.79 54.22 3kuq n ASP 1180Cb 0.14 -0.27 0.05 0.00 -1.35 0.00 0.00 41.12 39.69 3kuq n ASP 1180CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kuq n GLN 1181N -1.27 0.69 -0.10 0.11 6.02 0.25 -4.75 117.38 118.33 3kuq n GLN 1181Ca 0.06 -1.21 -0.12 0.00 -0.01 0.00 0.00 57.00 55.72 3kuq n GLN 1181Cb 0.10 -1.20 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 3kuq n GLN 1181CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kuq h ARG 1182N 1.96 0.65 -0.41 -1.09 3.08 -1.12 -1.04 114.38 116.42 3kuq h ARG 1182Ca 0.00 -0.29 0.07 0.00 0.07 0.00 0.00 59.98 59.82 3kuq h ARG 1182Cb 0.45 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 3kuq h ARG 1182CO 0.00 0.88 0.06 1.25 -1.07 0.00 0.00 179.97 181.10 3kuq h LEU 1183N 0.41 -0.03 -0.76 3.04 5.85 -1.85 0.17 115.31 122.14 3kuq h LEU 1183Ca 0.07 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3kuq h LEU 1183Cb 0.70 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3kuq h LEU 1183CO 0.05 0.02 0.47 -0.61 -0.34 0.00 0.00 178.44 178.03 3kuq h GLN 1184N 0.19 0.87 -0.02 1.25 4.15 -1.84 0.17 115.11 119.88 3kuq h GLN 1184Ca 0.20 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.45 3kuq h GLN 1184Cb 0.25 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3kuq h GLN 1184CO -0.28 0.58 -0.53 0.00 -1.93 0.00 0.00 178.83 176.67 3kuq h ALA 1185N 1.34 1.09 -0.36 3.38 0.00 -0.18 -1.95 119.26 122.58 3kuq h ALA 1185Ca 0.32 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3kuq h ALA 1185Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kuq h ALA 1185CO -0.14 0.66 -0.20 0.82 0.00 0.00 0.00 179.25 180.40 3kuq h ILE 1186N 0.04 1.29 -0.40 0.00 2.04 0.15 -0.93 117.51 119.69 3kuq h ILE 1186Ca -0.00 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 3kuq h ILE 1186Cb 0.95 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3kuq h ILE 1186CO 0.07 0.44 0.08 0.11 0.00 0.00 0.00 178.15 178.85 3kuq h LYS 1187N 0.55 0.66 -0.46 2.37 1.57 -0.64 -1.93 116.57 118.70 3kuq h LYS 1187Ca 0.08 -0.17 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3kuq h LYS 1187Cb 0.75 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 3kuq h LYS 1187CO 0.06 0.70 0.05 0.00 -0.57 0.00 0.00 179.45 179.69 3kuq h ALA 1188N 0.93 0.48 -0.41 3.86 0.00 -1.26 -1.89 119.26 120.97 3kuq h ALA 1188Ca 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kuq h ALA 1188Cb 0.35 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kuq h ALA 1188CO 0.01 -0.35 0.25 0.00 0.00 0.00 0.00 179.25 179.16 3kuq h ALA 1189N 1.38 0.53 -0.45 0.00 0.00 -0.92 -2.93 119.26 116.87 3kuq h ALA 1189Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kuq h ALA 1189Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kuq h ALA 1189CO -0.33 0.01 0.30 0.82 0.00 0.00 0.00 179.25 180.05 3kuq h ILE 1190N 0.55 1.11 0.00 0.00 2.04 -1.15 -2.58 117.51 117.47 3kuq h ILE 1190Ca 0.15 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3kuq h ILE 1190Cb -0.01 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3kuq h ILE 1190CO -0.03 0.11 0.00 -0.03 0.00 0.00 0.00 178.15 178.20 3kuq h MET 1191N 0.60 0.00 -0.00 2.37 4.05 -1.15 -1.91 114.93 118.89 3kuq h MET 1191Ca 0.16 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 3kuq h MET 1191Cb -0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3kuq h MET 1191CO -0.04 0.00 -0.10 1.28 0.23 0.00 0.00 176.91 178.28 3kuq n LEU 1192N -2.95 0.29 -4.78 3.39 4.77 -0.97 -4.90 117.00 111.84 3kuq n LEU 1192Ca -0.01 0.15 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 3kuq n LEU 1192Cb 0.20 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3kuq n LEU 1192CO 0.23 0.06 0.75 -0.76 -1.33 0.00 0.00 177.39 176.33 3kuq s LEU 1193N -2.62 3.60 0.79 2.23 1.43 -0.72 -5.01 118.68 118.39 3kuq s LEU 1193Ca 0.25 2.02 -0.15 0.00 -1.03 0.00 0.00 54.13 55.22 3kuq s LEU 1193Cb 0.20 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.87 3kuq s LEU 1193CO 0.50 -1.27 0.69 -2.65 0.23 0.00 0.00 176.35 173.85 3kuq n PRO 1194N -1.74 0.17 -0.14 1.29 -0.02 -1.26 -4.69 135.00 128.61 3kuq n PRO 1194Ca 0.10 0.11 -0.06 0.00 -2.02 0.00 0.00 63.50 61.63 3kuq n PRO 1194Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3kuq n PRO 1194CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kuq h ASP 1195N -0.73 -0.99 0.07 2.55 3.32 -1.96 -0.81 116.42 117.86 3kuq h ASP 1195Ca -0.45 0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.80 3kuq h ASP 1195Cb 1.32 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 41.35 3kuq h ASP 1195CO 0.42 -0.30 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.22 3kuq h GLU 1196N -0.19 -0.19 -0.76 3.56 3.07 -1.98 -0.96 114.58 117.12 3kuq h GLU 1196Ca 0.20 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.18 3kuq h GLU 1196Cb 0.52 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 28.40 3kuq h GLU 1196CO -0.57 -0.13 0.39 -0.91 -1.40 0.00 0.00 179.01 176.39 3kuq h ASN 1197N -0.20 0.51 -0.85 1.42 4.21 -1.81 -1.14 115.58 117.72 3kuq h ASN 1197Ca 0.01 0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 3kuq h ASN 1197Cb 0.20 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 3kuq h ASN 1197CO -0.04 0.27 0.47 0.03 -1.29 0.00 0.00 177.43 176.87 3kuq h ARG 1198N 0.64 1.18 -0.41 0.81 3.08 -0.53 0.15 114.38 119.30 3kuq h ARG 1198Ca 0.38 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3kuq h ARG 1198Cb 0.43 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3kuq h ARG 1198CO -0.29 0.86 0.17 0.93 -1.07 0.00 0.00 179.97 180.58 3kuq h GLU 1199N 1.18 0.60 -0.18 0.04 5.08 -0.55 -2.13 114.58 118.62 3kuq h GLU 1199Ca 0.30 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3kuq h GLU 1199Cb 0.02 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kuq h GLU 1199CO -0.05 0.55 -0.11 0.28 -1.00 0.00 0.00 179.01 178.68 3kuq h VAL 1200N 0.51 1.32 -0.84 3.13 2.07 -0.99 -2.18 116.25 119.27 3kuq h VAL 1200Ca 0.14 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.53 3kuq h VAL 1200Cb 0.17 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3kuq h VAL 1200CO -0.01 0.36 0.52 0.25 0.02 0.00 0.00 177.57 178.70 3kuq h LEU 1201N 0.07 0.81 0.03 2.57 5.85 -1.01 0.56 115.31 124.19 3kuq h LEU 1201Ca 0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kuq h LEU 1201Cb 0.61 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3kuq h LEU 1201CO 0.03 0.52 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.98 3kuq h GLN 1202N 0.94 -0.12 -0.87 1.25 4.15 -1.28 0.11 115.11 119.29 3kuq h GLN 1202Ca 0.37 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.77 3kuq h GLN 1202Cb 0.17 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 3kuq h GLN 1202CO -0.17 -0.08 0.47 1.15 -1.93 0.00 0.00 178.83 178.26 3kuq h THR 1203N -0.12 1.26 -0.37 2.39 2.02 -0.91 -2.01 112.91 115.16 3kuq h THR 1203Ca 0.02 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 3kuq h THR 1203Cb 0.14 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3kuq h THR 1203CO -0.05 0.29 0.05 0.25 0.37 0.00 0.00 175.52 176.44 3kuq h LEU 1204N 1.22 0.60 -0.62 2.58 5.85 -0.79 -1.96 115.31 122.19 3kuq h LEU 1204Ca 0.30 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3kuq h LEU 1204Cb 0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3kuq h LEU 1204CO -0.05 0.71 0.06 -0.07 -0.34 0.00 0.00 178.44 178.76 3kuq h LEU 1205N 0.46 1.02 -0.82 2.25 3.38 -0.49 0.31 115.31 121.42 3kuq h LEU 1205Ca 0.11 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3kuq h LEU 1205Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kuq h LEU 1205CO 0.01 1.04 -0.04 1.88 0.09 0.00 0.00 178.44 181.42 3kuq h TYR 1206N 0.96 0.91 0.24 1.13 0.05 -1.39 0.73 116.97 119.60 3kuq h TYR 1206Ca 0.18 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3kuq h TYR 1206Cb 0.48 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3kuq h TYR 1206CO 0.04 0.86 -0.11 0.35 -1.05 0.00 0.00 178.16 178.24 3kuq h PHE 1207N 0.78 -0.30 -0.58 4.88 3.57 -0.73 -1.07 116.94 123.48 3kuq h PHE 1207Ca 0.14 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3kuq h PHE 1207Cb 0.53 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3kuq h PHE 1207CO 0.03 -0.13 0.16 -0.07 -2.23 0.00 0.00 178.31 176.06 3kuq h LEU 1208N -0.39 0.83 -0.50 0.59 3.38 -0.25 -1.11 115.31 117.86 3kuq h LEU 1208Ca -0.03 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3kuq h LEU 1208Cb 0.30 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3kuq h LEU 1208CO 0.05 0.80 0.18 -1.28 0.09 0.00 0.00 178.44 178.28 3kuq h SER 1209N 0.86 0.18 -0.92 -0.43 0.87 -0.75 -0.78 113.55 112.59 3kuq h SER 1209Ca 0.19 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.89 3kuq h SER 1209Cb 0.29 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 3kuq h SER 1209CO -0.00 0.13 0.59 0.44 -0.53 0.00 0.00 176.83 177.46 3kuq h ASP 1210N 0.36 0.87 -0.04 6.23 3.32 0.04 -0.81 116.42 126.39 3kuq h ASP 1210Ca 0.24 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kuq h ASP 1210Cb 0.25 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3kuq h ASP 1210CO -0.24 0.53 0.03 0.58 -1.72 0.00 0.00 179.24 178.42 3kuq h VAL 1211N 0.97 1.06 -0.00 -1.35 2.07 -0.47 -2.85 116.25 115.68 3kuq h VAL 1211Ca 0.41 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 3kuq h VAL 1211Cb 0.31 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3kuq h VAL 1211CO -0.17 0.05 -0.30 0.00 0.02 0.00 0.00 177.57 177.17 3kuq h THR 1212N 0.00 1.22 -0.84 2.57 1.03 -0.96 -1.96 112.91 113.98 3kuq h THR 1212Ca 0.02 -1.04 0.19 0.00 -0.01 0.00 0.00 66.41 65.56 3kuq h THR 1212Cb 0.06 1.56 -0.06 0.00 -1.07 0.00 0.00 68.15 68.64 3kuq h THR 1212CO -0.00 0.30 0.56 0.00 -0.01 0.00 0.00 175.52 176.37 3kuq h ALA 1213N 1.69 2.23 -0.61 0.00 0.00 -0.91 -1.65 119.26 120.02 3kuq h ALA 1213Ca -0.00 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3kuq h ALA 1213Cb 0.54 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 3kuq h ALA 1213CO 0.04 -0.48 0.22 0.00 0.00 0.00 0.00 179.25 179.03 3kuq n ALA 1214N -2.54 4.22 -0.18 0.00 0.00 -0.74 -4.63 120.51 116.65 3kuq n ALA 1214Ca 0.17 -1.90 0.19 0.00 0.00 0.00 0.00 53.44 51.91 3kuq n ALA 1214Cb 0.66 -1.21 0.56 0.00 0.00 0.00 0.00 19.45 19.45 3kuq n ALA 1214CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3kuq h VAL 1215N 2.24 0.70 0.00 0.00 3.04 -1.34 -1.09 116.25 119.81 3kuq h VAL 1215Ca 0.22 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.78 3kuq h VAL 1215Cb 2.06 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3kuq h VAL 1215CO 0.61 0.06 -0.11 0.11 -1.01 0.00 0.00 177.57 177.23 3kuq h LYS 1216N 0.31 0.00 0.02 4.17 1.57 -1.86 0.88 116.57 121.67 3kuq h LYS 1216Ca 0.41 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.83 3kuq h LYS 1216Cb 1.13 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 3kuq h LYS 1216CO -0.12 0.11 -2.05 0.39 -0.57 0.00 0.00 179.45 177.22 3kuq n GLU 1217N -3.79 0.62 0.00 3.15 1.02 -0.52 -4.67 120.64 116.45 3kuq n GLU 1217Ca -0.02 0.34 0.09 0.00 -0.02 0.00 0.00 57.16 57.54 3kuq n GLU 1217Cb 0.22 -1.62 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 3kuq n GLU 1217CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3kuq n ASN 1218N -3.98 0.96 -1.44 1.62 0.23 -0.58 -4.44 115.26 107.62 3kuq n ASN 1218Ca -0.42 -0.98 -0.16 0.00 -0.53 0.00 0.00 54.58 52.49 3kuq n ASN 1218Cb 0.87 0.95 -0.05 0.00 -2.08 0.00 0.00 39.78 39.47 3kuq n ASN 1218CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kuq n GLN 1219N -1.30 -1.19 -3.43 -3.83 6.02 0.30 -1.01 117.38 112.94 3kuq n GLN 1219Ca 0.04 0.99 -0.44 0.00 -0.01 0.00 0.00 57.00 57.58 3kuq n GLN 1219Cb 0.30 -5.25 -0.07 0.00 1.02 0.00 0.00 30.24 26.24 3kuq n GLN 1219CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3kuq s MET 1220N -3.82 2.80 0.80 -1.09 -1.94 -1.26 -4.86 119.30 109.94 3kuq s MET 1220Ca 0.00 -1.62 -0.12 0.00 -1.71 0.00 0.00 55.69 52.25 3kuq s MET 1220Cb 0.00 -4.10 0.07 0.00 2.01 0.00 0.00 34.83 32.81 3kuq s MET 1220CO 0.00 -1.18 1.10 0.95 -0.01 0.00 0.00 175.02 175.88 3kuq s THR 1221N 1.52 2.97 0.26 2.05 -4.23 -1.26 -4.27 115.64 112.69 3kuq s THR 1221Ca 0.04 0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3kuq s THR 1221Cb -0.27 -3.09 0.25 0.00 1.34 0.00 0.00 72.50 70.73 3kuq s THR 1221CO 0.03 -0.41 1.73 -0.65 -0.54 0.00 0.00 174.62 174.77 3kuq h PRO 1222N -1.10 0.46 -0.59 3.99 0.11 -1.93 -0.70 132.00 132.25 3kuq h PRO 1222Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3kuq h PRO 1222Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3kuq h PRO 1222CO 0.60 0.31 0.19 1.15 -0.21 0.00 0.00 178.00 180.04 3kuq h THR 1223N 0.48 1.24 -0.76 -1.15 2.02 -1.93 -0.78 112.91 112.02 3kuq h THR 1223Ca 0.47 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 3kuq h THR 1223Cb 0.76 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3kuq h THR 1223CO -0.43 0.30 0.26 0.78 0.37 0.00 0.00 175.52 176.80 3kuq h ASN 1224N 0.82 1.09 -0.15 4.18 2.35 -1.64 -1.78 115.58 120.45 3kuq h ASN 1224Ca 0.19 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3kuq h ASN 1224Cb 0.27 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3kuq h ASN 1224CO -0.01 1.00 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.70 3kuq h LEU 1225N 1.13 0.26 -0.36 1.61 3.38 -1.13 -3.14 115.31 117.06 3kuq h LEU 1225Ca 0.25 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3kuq h LEU 1225Cb 0.28 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3kuq h LEU 1225CO -0.01 0.51 0.09 0.00 0.09 0.00 0.00 178.44 179.12 3kuq h ALA 1226N 0.76 0.40 -0.19 1.53 0.00 -0.95 0.55 119.26 121.36 3kuq h ALA 1226Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kuq h ALA 1226Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kuq h ALA 1226CO 0.01 -0.31 -0.02 -0.24 0.00 0.00 0.00 179.25 178.69 3kuq h VAL 1227N 0.23 1.14 0.00 0.00 3.04 -1.39 0.53 116.25 119.79 3kuq h VAL 1227Ca 0.17 -0.54 -0.24 0.00 -1.01 0.00 0.00 66.70 65.08 3kuq h VAL 1227Cb 0.17 1.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 3kuq h VAL 1227CO -0.20 0.18 -1.31 0.00 -1.01 0.00 0.00 177.57 175.23 3kuq n LEU 1229N -3.19 0.49 -0.28 0.00 4.77 0.13 -4.58 117.00 114.33 3kuq n LEU 1229Ca -0.08 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.15 3kuq n LEU 1229Cb 0.97 0.29 0.25 0.00 -2.33 0.00 0.00 43.42 42.60 3kuq n LEU 1229CO 0.46 0.49 0.96 0.00 -1.33 0.00 0.00 177.39 177.96 3kuq h ALA 1230N 0.94 1.18 -0.61 -1.18 0.00 -1.10 -1.97 119.26 116.52 3kuq h ALA 1230Ca -0.46 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kuq h ALA 1230Cb 2.15 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 20.17 3kuq h ALA 1230CO 0.04 -0.39 0.32 -1.35 0.00 0.00 0.00 179.25 177.87 3kuq h PRO 1231N 0.27 0.84 0.02 0.00 0.11 -1.83 0.76 132.00 132.17 3kuq h PRO 1231Ca 0.50 -0.09 -0.21 0.00 0.11 0.00 0.00 66.00 66.31 3kuq h PRO 1231Cb 0.95 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 3kuq h PRO 1231CO -0.58 0.63 -0.99 0.66 -0.21 0.00 0.00 178.00 177.50 3kuq h SER 1232N 0.85 0.11 0.92 -2.05 4.64 -1.67 0.42 113.55 116.77 3kuq h SER 1232Ca 0.22 -0.11 -0.22 0.00 -0.47 0.00 0.00 61.79 61.21 3kuq h SER 1232Cb 0.04 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3kuq h SER 1232CO -0.03 1.03 -1.12 -0.07 -0.87 0.00 0.00 176.83 175.77 3kuq h LEU 1233N 0.03 0.00 0.00 5.97 3.38 -1.11 -3.26 115.31 120.32 3kuq h LEU 1233Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kuq h LEU 1233Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3kuq h LEU 1233CO 0.14 0.97 -1.20 0.49 0.09 0.00 0.00 178.44 178.93 3kuq n PHE 1234N -3.28 0.00 -3.48 1.13 3.72 0.23 -1.76 117.46 114.02 3kuq n PHE 1234Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 3kuq n PHE 1234Cb 0.95 -0.17 0.06 0.00 -0.94 0.00 0.00 39.48 39.38 3kuq n PHE 1234CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kuq n HIS 1235N -1.69 -2.16 -2.27 1.38 8.25 0.14 -4.80 115.22 114.07 3kuq n HIS 1235Ca 0.00 0.80 -0.39 0.00 -0.26 0.00 0.00 57.72 57.87 3kuq n HIS 1235Cb 0.33 -4.28 -0.02 0.00 1.12 0.00 0.00 29.99 27.14 3kuq n HIS 1235CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kuq s LEU 1236N -6.12 4.33 -1.07 2.41 1.43 -0.78 -4.90 118.68 113.97 3kuq s LEU 1236Ca 0.25 2.44 -0.23 0.00 -1.03 0.00 0.00 54.13 55.56 3kuq s LEU 1236Cb -0.05 -3.84 -0.00 0.00 0.03 0.00 0.00 46.19 42.33 3kuq s LEU 1236CO 0.78 -0.54 1.76 0.54 0.23 0.00 0.00 176.35 179.11 3kuq s ASN 1237N -0.89 5.84 -0.01 2.29 6.03 -1.26 -4.95 114.94 121.99 3kuq s ASN 1237Ca 0.52 -1.43 0.00 0.00 -1.03 0.00 0.00 52.86 50.92 3kuq s ASN 1237Cb -0.34 -2.57 -0.04 0.00 -3.03 0.00 0.00 41.25 35.27 3kuq s ASN 1237CO 0.43 -2.15 0.04 0.42 -2.03 0.00 0.00 177.10 173.82 3kuq s THR 1238N 7.65 4.45 0.00 0.54 -4.23 -1.26 -4.98 115.64 117.81 3kuq s THR 1238Ca 0.59 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 3kuq s THR 1238Cb -0.02 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3kuq s THR 1238CO 0.01 0.38 0.00 0.18 -0.54 0.00 0.00 174.62 174.65 3kuq n LEU 1239N 1.35 1.14 -1.76 4.79 4.77 -1.26 -5.27 117.00 120.76 3kuq n LEU 1239Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3kuq n LEU 1239Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3kuq n LEU 1239CO 0.35 0.00 -0.28 -0.67 -1.33 0.00 0.00 177.39 175.47 3kuq n ASP 1259N -0.26 -5.42 -0.37 -1.43 4.64 -1.26 -5.35 116.55 107.11 3kuq n ASP 1259Ca 0.00 1.23 0.02 0.00 -1.38 0.00 0.00 54.79 54.66 3kuq n ASP 1259Cb 0.00 -3.62 0.17 0.00 -1.04 0.00 0.00 41.12 36.63 3kuq n ASP 1259CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 3kuq h GLN 1260N 2.73 1.15 -0.66 -0.67 5.75 -2.05 -2.48 115.11 118.87 3kuq h GLN 1260Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3kuq h GLN 1260Cb 0.00 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 3kuq h GLN 1260CO 0.00 0.76 0.39 -0.22 -2.65 0.00 0.00 178.83 177.11 3kuq h LYS 1261N 1.18 0.91 -0.44 1.69 3.64 -2.05 0.29 116.57 121.79 3kuq h LYS 1261Ca 0.43 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 3kuq h LYS 1261Cb 0.15 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3kuq h LYS 1261CO -0.17 0.66 0.29 -0.44 -2.27 0.00 0.00 179.45 177.52 3kuq h ASP 1262N 0.90 0.49 -0.52 4.20 3.32 -1.93 -0.07 116.42 122.82 3kuq h ASP 1262Ca 0.24 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3kuq h ASP 1262Cb 0.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3kuq h ASP 1262CO -0.04 0.36 0.25 0.25 -1.72 0.00 0.00 179.24 178.33 3kuq h LEU 1263N 0.59 0.67 -0.97 1.55 5.85 -1.12 -1.48 115.31 120.40 3kuq h LEU 1263Ca 0.16 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3kuq h LEU 1263Cb -0.06 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 3kuq h LEU 1263CO -0.04 0.61 0.63 0.78 -0.34 0.00 0.00 178.44 180.08 3kuq h ASN 1264N 0.69 1.03 -0.64 1.25 2.35 -0.21 -1.26 115.58 118.79 3kuq h ASN 1264Ca 0.18 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3kuq h ASN 1264Cb 0.12 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3kuq h ASN 1264CO -0.02 0.68 0.17 -0.33 -1.65 0.00 0.00 177.43 176.27 3kuq h GLU 1265N 1.18 1.02 -0.13 0.81 5.08 -0.80 -0.12 114.58 121.62 3kuq h GLU 1265Ca 0.41 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3kuq h GLU 1265Cb 0.09 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3kuq h GLU 1265CO -0.15 0.92 -0.10 -0.97 -1.00 0.00 0.00 179.01 177.70 3kuq h ASN 1266N 0.95 -0.33 -0.57 1.42 -0.73 -0.84 0.13 115.58 115.61 3kuq h ASN 1266Ca 0.20 0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.35 3kuq h ASN 1266Cb 0.35 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 3kuq h ASN 1266CO 0.00 -0.14 0.02 -0.07 -0.37 0.00 0.00 177.43 176.87 3kuq h LEU 1267N -0.12 0.97 -0.39 0.34 3.38 -1.02 -2.08 115.31 116.40 3kuq h LEU 1267Ca 0.08 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3kuq h LEU 1267Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kuq h LEU 1267CO -0.20 1.03 0.18 0.00 0.09 0.00 0.00 178.44 179.55 3kuq h ALA 1268N 0.97 0.50 -0.75 1.53 0.00 -0.81 -0.34 119.26 120.36 3kuq h ALA 1268Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kuq h ALA 1268Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kuq h ALA 1268CO 0.03 0.07 0.27 0.00 0.00 0.00 0.00 179.25 179.62 3kuq h ALA 1269N 1.03 1.07 0.10 0.00 0.00 -0.63 0.32 119.26 121.15 3kuq h ALA 1269Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kuq h ALA 1269Cb 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kuq h ALA 1269CO -0.02 0.65 -0.05 1.15 0.00 0.00 0.00 179.25 180.98 3kuq h THR 1270N 1.10 1.05 -0.19 0.00 2.02 -1.29 0.37 112.91 115.97 3kuq h THR 1270Ca 0.25 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.83 3kuq h THR 1270Cb 0.25 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3kuq h THR 1270CO -0.02 0.15 0.05 -0.61 0.37 0.00 0.00 175.52 175.46 3kuq h GLN 1271N -0.42 0.12 -0.70 6.66 5.75 -0.89 -0.08 115.11 125.54 3kuq h GLN 1271Ca -0.01 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3kuq h GLN 1271Cb 0.35 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3kuq h GLN 1271CO 0.02 0.08 0.41 0.78 -2.65 0.00 0.00 178.83 177.47 3kuq h GLY 1272N 0.13 1.03 0.98 2.39 0.00 -0.31 -0.74 103.07 106.55 3kuq h GLY 1272Ca 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3kuq h GLY 1272CO -0.10 0.43 0.10 -2.00 0.00 0.00 0.00 176.54 174.96 3kuq h LEU 1273N 0.96 0.79 -0.12 3.11 5.85 -0.67 -1.63 115.31 123.59 3kuq h LEU 1273Ca 0.25 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3kuq h LEU 1273Cb -0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3kuq h LEU 1273CO -0.04 0.83 -0.07 0.00 -0.34 0.00 0.00 178.44 178.82 3kuq h ALA 1274N 0.98 0.03 -0.53 1.25 0.00 -0.70 0.18 119.26 120.48 3kuq h ALA 1274Ca 0.15 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3kuq h ALA 1274Cb 0.37 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3kuq h ALA 1274CO 0.01 -0.52 0.00 1.25 0.00 0.00 0.00 179.25 179.98 3kuq h HIS 1275N -0.07 -0.03 -0.31 0.00 -0.00 -0.99 0.56 115.15 114.31 3kuq h HIS 1275Ca 0.07 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3kuq h HIS 1275Cb 0.17 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 3kuq h HIS 1275CO -0.20 -0.12 0.14 0.52 -0.00 0.00 0.00 177.93 178.27 3kuq h MET 1276N 0.12 0.45 -0.45 5.26 2.07 -0.66 -2.51 114.93 119.21 3kuq h MET 1276Ca 0.27 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.80 3kuq h MET 1276Cb 0.41 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 30.04 3kuq h MET 1276CO -0.44 0.44 0.20 0.82 1.07 0.00 0.00 176.91 179.00 3kuq h ILE 1277N 0.35 1.19 -0.41 -1.22 2.04 -0.71 -2.32 117.51 116.43 3kuq h ILE 1277Ca 0.10 -0.55 0.12 0.00 1.00 0.00 0.00 64.86 65.53 3kuq h ILE 1277Cb 0.15 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3kuq h ILE 1277CO -0.01 0.21 0.52 0.00 0.00 0.00 0.00 178.15 178.87 3kuq h ALA 1278N 1.05 2.09 0.00 1.87 0.00 -0.45 -3.43 119.26 120.39 3kuq h ALA 1278Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kuq h ALA 1278Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kuq h ALA 1278CO -0.02 -0.73 0.00 0.39 0.00 0.00 0.00 179.25 178.89