#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jck s LYS 1084N 0.00 2.61 0.23 1.96 1.02 -1.26 -5.01 119.74 119.29 2jck s LYS 1084Ca 0.00 -1.00 -0.06 0.00 0.02 0.00 0.00 55.97 54.93 2jck s LYS 1084Cb 0.00 -2.48 0.34 0.00 -0.52 0.00 0.00 37.83 35.17 2jck s LYS 1084CO 0.00 0.47 1.82 1.25 -0.92 0.00 0.00 175.35 177.97 2jck h LEU 1085N 2.62 0.67 -2.17 3.17 5.85 -2.01 -0.79 115.31 122.64 2jck h LEU 1085Ca -0.47 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2jck h LEU 1085Cb 1.20 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2jck h LEU 1085CO 0.60 0.41 -0.00 0.77 -0.34 0.00 0.00 178.44 179.88 2jck h SER 1086N 0.80 0.00 0.03 1.25 4.64 -1.96 0.15 113.55 118.47 2jck h SER 1086Ca 0.36 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 2jck h SER 1086Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2jck h SER 1086CO -0.21 0.00 -0.14 0.44 -0.87 0.00 0.00 176.83 176.05 2jck h ASP 1087N 0.00 0.22 0.00 4.97 3.45 -1.54 -3.37 116.42 120.15 2jck h ASP 1087Ca -0.00 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2jck h ASP 1087Cb 0.28 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2jck h ASP 1087CO 0.00 0.39 -0.45 -2.67 -1.57 0.00 0.00 179.24 174.94 2jck n TRP 1088N -4.26 0.00 -3.94 4.55 4.27 -1.05 -4.86 117.44 112.15 2jck n TRP 1088Ca -0.01 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.25 2jck n TRP 1088Cb 0.28 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.10 2jck n TRP 1088CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2jck s PHE 1089N -0.92 3.05 -0.59 -2.67 5.36 0.50 -0.98 117.98 121.74 2jck s PHE 1089Ca 0.00 -0.48 0.05 0.00 -0.96 0.00 0.00 56.93 55.54 2jck s PHE 1089Cb 0.00 -2.14 0.19 0.00 -0.34 0.00 0.00 43.02 40.74 2jck s PHE 1089CO 0.00 -0.30 0.51 0.09 -1.46 0.00 0.00 175.22 174.06 2jck n ASN 1090N 4.51 2.00 0.16 6.13 3.02 1.00 -4.41 115.26 127.66 2jck n ASN 1090Ca -0.17 -3.00 0.11 0.00 -0.03 0.00 0.00 54.58 51.50 2jck n ASN 1090Cb 0.52 -0.68 0.64 0.00 -0.61 0.00 0.00 39.78 39.65 2jck n ASN 1090CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2jck h PRO 1091N 5.05 0.04 0.00 3.52 0.13 -1.93 -2.58 132.00 136.23 2jck h PRO 1091Ca 0.18 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2jck h PRO 1091Cb 0.79 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2jck h PRO 1091CO 0.63 0.03 0.00 0.27 -0.23 0.00 0.00 178.00 178.70 2jck h PHE 1092N 0.05 0.00 0.00 1.56 -5.15 -1.96 -1.92 116.94 109.51 2jck h PHE 1092Ca 0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 2jck h PHE 1092Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.48 2jck h PHE 1092CO -0.00 0.00 0.00 0.87 -2.00 0.00 0.00 178.31 177.18 2jck h LYS 1093N 0.00 0.00 -2.32 6.09 1.79 -1.76 -3.26 116.57 117.11 2jck h LYS 1093Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2jck h LYS 1093Cb 0.07 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.33 2jck h LYS 1093CO 0.00 0.00 -0.88 0.54 -1.08 0.00 0.00 179.45 178.03 2jck n ARG 1094N -2.89 1.11 0.00 3.15 5.12 -0.72 -4.92 116.66 117.51 2jck n ARG 1094Ca -0.00 -3.71 0.10 0.00 -1.93 0.00 0.00 57.85 52.31 2jck n ARG 1094Cb 0.22 -1.73 0.47 0.00 -1.16 0.00 0.00 32.46 30.26 2jck n ARG 1094CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2jck n PRO 1095N 1.80 0.09 0.00 5.56 -0.04 -1.23 -3.57 135.00 137.60 2jck n PRO 1095Ca 0.25 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 2jck n PRO 1095Cb 0.46 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.76 2jck n PRO 1095CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jck n GLU 1096N -1.44 1.46 -4.42 0.54 -0.58 -1.26 -4.94 120.64 110.00 2jck n GLU 1096Ca 0.06 -0.98 -0.21 0.00 -0.42 0.00 0.00 57.16 55.62 2jck n GLU 1096Cb 0.22 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.51 2jck n GLU 1096CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2jck s VAL 1097N -2.22 1.09 -0.20 2.62 -7.23 -1.23 -5.10 120.40 108.12 2jck s VAL 1097Ca 0.30 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 2jck s VAL 1097Cb 0.20 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2jck s VAL 1097CO 0.42 -0.01 1.13 -0.69 -0.31 0.00 0.00 175.10 175.63 2jck s VAL 1098N -3.37 4.52 -1.17 1.32 1.01 -1.26 -4.91 120.40 116.54 2jck s VAL 1098Ca 0.36 1.84 0.12 0.00 0.00 0.00 0.00 61.98 64.30 2jck s VAL 1098Cb 0.08 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2jck s VAL 1098CO 0.15 -0.16 0.74 0.35 0.00 0.00 0.00 175.10 176.18 2jck n THR 1099N 5.33 0.00 -3.60 3.92 -2.24 -1.26 -4.70 114.28 111.72 2jck n THR 1099Ca 0.13 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 2jck n THR 1099Cb 0.46 1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.79 2jck n THR 1099CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2jck s MET 1100N -1.35 0.85 0.70 -0.78 0.00 -1.26 -0.92 119.30 116.54 2jck s MET 1100Ca 0.11 0.73 -0.03 0.00 0.00 0.00 0.00 55.69 56.50 2jck s MET 1100Cb 0.09 0.41 0.09 0.00 0.00 0.00 0.00 34.83 35.43 2jck s MET 1100CO 0.25 -0.16 0.97 0.95 0.00 0.00 0.00 175.02 177.03 2jck s THR 1101N -0.11 2.29 0.42 10.11 -4.23 -0.22 -4.91 115.64 118.99 2jck s THR 1101Ca -0.03 -0.48 0.10 0.00 -1.18 0.00 0.00 61.69 60.10 2jck s THR 1101Cb -0.04 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.21 2jck s THR 1101CO 0.03 0.00 2.01 0.50 -0.54 0.00 0.00 174.62 176.62 2jck h LYS 1102N -0.49 0.31 -0.49 3.99 1.63 -2.03 -1.02 116.57 118.47 2jck h LYS 1102Ca -0.40 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2jck h LYS 1102Cb 1.28 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2jck h LYS 1102CO 0.48 0.31 0.00 -2.67 -3.45 0.00 0.00 179.45 174.11 2jck n TRP 1103N -4.40 0.59 -1.75 1.91 2.14 -1.26 -4.90 117.44 109.76 2jck n TRP 1103Ca 0.00 -0.25 -0.08 0.00 2.07 0.00 0.00 57.50 59.24 2jck n TRP 1103Cb 0.16 -0.09 -0.02 0.00 -0.81 0.00 0.00 31.31 30.55 2jck n TRP 1103CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2jck n LYS 1104N 0.37 -0.63 -2.93 -2.67 4.76 -0.39 -5.02 118.16 111.66 2jck n LYS 1104Ca 0.11 0.58 -0.41 0.00 -2.87 0.00 0.00 58.31 55.73 2jck n LYS 1104Cb 0.40 -4.50 -0.04 0.00 -1.84 0.00 0.00 35.03 29.05 2jck n LYS 1104CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jck s ALA 1105N -2.37 3.35 0.39 7.82 0.00 -1.26 -4.79 121.76 124.90 2jck s ALA 1105Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.91 2jck s ALA 1105Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 2jck s ALA 1105CO 0.00 -0.29 1.07 -1.25 0.00 0.00 0.00 175.76 175.29 2jck s PRO 1106N 1.23 4.16 -0.40 0.00 0.04 -1.25 -1.06 135.00 137.72 2jck s PRO 1106Ca 0.41 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.94 2jck s PRO 1106Cb -0.18 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 31.84 2jck s PRO 1106CO 0.19 -0.15 0.22 0.08 0.04 0.00 0.00 177.00 177.37 2jck s VAL 1107N -1.60 4.04 -0.35 -0.36 1.01 -0.10 -1.56 120.40 121.49 2jck s VAL 1107Ca 0.57 -1.41 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2jck s VAL 1107Cb -0.24 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2jck s VAL 1107CO 0.30 -0.46 1.32 -0.69 0.00 0.00 0.00 175.10 175.57 2jck s VAL 1108N 1.39 4.08 0.22 2.92 1.01 -0.08 -4.62 120.40 125.32 2jck s VAL 1108Ca 0.03 1.18 0.10 0.00 0.00 0.00 0.00 61.98 63.28 2jck s VAL 1108Cb -0.22 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2jck s VAL 1108CO 0.02 -0.61 -0.12 0.26 0.00 0.00 0.00 175.10 174.65 2jck s TRP 1109N 4.70 2.54 0.30 5.22 0.52 -1.26 -1.91 118.94 129.04 2jck s TRP 1109Ca 0.57 -0.26 -0.30 0.00 0.02 0.00 0.00 56.10 56.13 2jck s TRP 1109Cb -0.15 -1.20 -0.12 0.00 -1.15 0.00 0.00 33.47 30.86 2jck s TRP 1109CO 0.27 0.57 1.55 -1.91 0.02 0.00 0.00 176.95 177.44 2jck n GLU 1110N -0.23 2.58 0.00 4.98 4.07 -1.26 -1.75 120.64 129.03 2jck n GLU 1110Ca -0.09 0.92 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 2jck n GLU 1110Cb 0.57 -2.67 0.00 0.00 -0.06 0.00 0.00 31.44 29.28 2jck n GLU 1110CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jck n GLY 1111N 1.94 2.27 0.00 8.31 0.00 -1.26 -4.88 105.19 111.57 2jck n GLY 1111Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2jck n GLY 1111CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jck n THR 1112N -2.00 0.00 -4.21 2.61 -2.24 -0.72 -4.78 114.28 102.95 2jck n THR 1112Ca 0.00 -0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 2jck n THR 1112Cb 0.00 0.84 -0.09 0.00 -2.10 0.00 0.00 70.33 68.98 2jck n THR 1112CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2jck s TYR 1113N -3.07 2.81 -0.58 4.78 -0.85 -1.26 -0.00 117.35 119.17 2jck s TYR 1113Ca 0.06 -0.14 -0.02 0.00 -0.52 0.00 0.00 57.07 56.45 2jck s TYR 1113Cb 0.16 -1.41 0.15 0.00 0.38 0.00 0.00 41.96 41.24 2jck s TYR 1113CO 0.87 0.48 0.39 1.21 -1.52 0.00 0.00 175.55 176.98 2jck s ASN 1114N -2.59 5.19 0.36 -0.18 3.84 -0.16 -4.95 114.94 116.44 2jck s ASN 1114Ca 0.25 -2.71 0.12 0.00 0.21 0.00 0.00 52.86 50.73 2jck s ASN 1114Cb -0.10 -1.84 0.67 0.00 -0.55 0.00 0.00 41.25 39.43 2jck s ASN 1114CO 0.17 -0.39 1.80 -0.09 -2.79 0.00 0.00 177.10 175.79 2jck h ARG 1115N 7.19 0.03 -0.36 0.43 2.43 -1.98 -2.98 114.38 119.14 2jck h ARG 1115Ca -0.04 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2jck h ARG 1115Cb 0.97 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 2jck h ARG 1115CO 0.71 0.41 0.15 0.00 -1.51 0.00 0.00 179.97 179.73 2jck h ALA 1116N 1.59 0.47 -0.70 2.80 0.00 -1.99 0.42 119.26 121.85 2jck h ALA 1116Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jck h ALA 1116Cb 0.69 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2jck h ALA 1116CO 0.05 0.07 0.40 0.28 0.00 0.00 0.00 179.25 180.04 2jck h VAL 1117N 0.43 1.21 -0.19 0.00 2.07 -1.89 -2.29 116.25 115.60 2jck h VAL 1117Ca 0.12 -0.52 -0.21 0.00 0.82 0.00 0.00 66.70 66.91 2jck h VAL 1117Cb 0.18 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2jck h VAL 1117CO -0.01 0.23 -0.72 -0.07 0.02 0.00 0.00 177.57 177.02 2jck h LEU 1118N 0.96 0.96 -0.70 2.57 3.38 -1.35 -2.05 115.31 119.08 2jck h LEU 1118Ca 0.25 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.72 2jck h LEU 1118Cb 0.02 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 2jck h LEU 1118CO -0.04 1.40 0.33 0.44 0.09 0.00 0.00 178.44 180.66 2jck h ASP 1119N 0.58 0.41 -0.29 -0.43 3.32 0.03 0.19 116.42 120.24 2jck h ASP 1119Ca -0.04 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 2jck h ASP 1119Cb 1.34 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 2jck h ASP 1119CO 0.15 0.23 -0.22 -1.13 -1.72 0.00 0.00 179.24 176.55 2jck h ASN 1120N 0.56 0.69 -0.51 6.45 -1.24 -1.38 -0.54 115.58 119.60 2jck h ASN 1120Ca 0.35 -0.45 0.01 0.00 0.71 0.00 0.00 56.30 56.93 2jck h ASN 1120Cb 0.41 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 2jck h ASN 1120CO -0.29 0.99 0.33 0.22 -1.29 0.00 0.00 177.43 177.39 2jck h TYR 1121N 0.40 0.62 0.02 0.67 3.20 -0.60 -1.97 116.97 119.30 2jck h TYR 1121Ca 0.05 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.73 2jck h TYR 1121Cb 0.77 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2jck h TYR 1121CO 0.07 0.38 -0.94 1.88 -1.64 0.00 0.00 178.16 177.91 2jck h TYR 1122N 0.66 0.32 -0.38 -3.82 -1.99 -0.64 -3.18 116.97 107.94 2jck h TYR 1122Ca 0.19 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2jck h TYR 1122Cb -0.05 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 2jck h TYR 1122CO -0.05 1.03 0.25 0.00 -0.00 0.00 0.00 178.16 179.39 2jck h ALA 1123N 0.90 0.48 -0.10 3.88 0.00 -0.91 -1.22 119.26 122.28 2jck h ALA 1123Ca -0.06 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jck h ALA 1123Cb 1.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jck h ALA 1123CO 0.14 -0.07 0.11 0.87 0.00 0.00 0.00 179.25 180.31 2jck h LYS 1124N 0.51 0.00 -0.01 0.00 1.57 -1.38 0.19 116.57 117.44 2jck h LYS 1124Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2jck h LYS 1124Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2jck h LYS 1124CO -0.03 0.00 -0.37 1.04 -0.57 0.00 0.00 179.45 179.52 2jck n GLN 1125N -3.84 0.73 -3.57 3.15 6.02 -0.56 -4.98 117.38 114.33 2jck n GLN 1125Ca -0.01 -0.47 -0.24 0.00 -0.01 0.00 0.00 57.00 56.28 2jck n GLN 1125Cb 0.21 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.03 2jck n GLN 1125CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2jck n LYS 1126N -0.72 -2.80 -2.56 -1.09 5.02 0.65 -4.96 118.16 111.70 2jck n LYS 1126Ca 0.10 0.63 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 2jck n LYS 1126Cb 0.36 -4.96 -0.01 0.00 -0.02 0.00 0.00 35.03 30.41 2jck n LYS 1126CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2jck s ILE 1127N -3.51 4.80 -0.02 -0.18 -4.36 -1.18 -5.05 121.20 111.70 2jck s ILE 1127Ca 0.31 0.55 0.05 0.00 -0.26 0.00 0.00 60.65 61.29 2jck s ILE 1127Cb -0.08 -3.81 -0.01 0.00 1.25 0.00 0.00 42.46 39.81 2jck s ILE 1127CO 0.81 -0.77 -0.16 -0.89 0.24 0.00 0.00 174.94 174.17 2jck s THR 1128N -2.68 1.28 -0.07 8.37 2.01 -1.26 -4.08 115.64 119.20 2jck s THR 1128Ca 0.51 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.88 2jck s THR 1128Cb -0.10 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 2jck s THR 1128CO 0.41 0.37 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.80 2jck s VAL 1129N -0.24 2.35 0.24 3.82 1.01 -0.35 -0.76 120.40 126.48 2jck s VAL 1129Ca 0.03 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.12 2jck s VAL 1129Cb -0.08 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2jck s VAL 1129CO 0.00 0.57 0.21 -0.83 0.00 0.00 0.00 175.10 175.05 2jck s GLY 1130N -0.13 1.42 -0.14 4.51 0.00 -0.12 -1.54 107.32 111.32 2jck s GLY 1130Ca -0.04 -1.37 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 2jck s GLY 1130CO 0.04 -1.41 0.22 -2.27 0.00 0.00 0.00 173.10 169.68 2jck s LEU 1131N -3.78 -0.19 -0.01 0.66 2.96 -0.70 -1.15 118.68 116.47 2jck s LEU 1131Ca 0.33 0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.46 2jck s LEU 1131Cb -0.08 0.50 -0.05 0.00 0.50 0.00 0.00 46.19 47.06 2jck s LEU 1131CO 0.25 -0.27 0.25 0.42 -1.32 0.00 0.00 176.35 175.69 2jck s THR 1132N 2.36 5.32 -0.13 3.68 -4.23 -0.41 -0.42 115.64 121.81 2jck s THR 1132Ca 0.04 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.62 2jck s THR 1132Cb -0.13 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.20 2jck s THR 1132CO -0.09 0.40 0.34 0.54 -0.54 0.00 0.00 174.62 175.28 2jck s VAL 1133N -1.26 -0.01 -0.08 2.29 0.11 -0.60 -2.09 120.40 118.75 2jck s VAL 1133Ca 0.26 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2jck s VAL 1133Cb -0.13 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2jck s VAL 1133CO 0.15 0.02 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.52 2jck s PHE 1134N 0.64 2.97 -0.26 1.54 0.40 -1.26 -0.91 117.98 121.10 2jck s PHE 1134Ca -0.04 0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 2jck s PHE 1134Cb -0.05 -1.74 0.10 0.00 0.51 0.00 0.00 43.02 41.83 2jck s PHE 1134CO -0.04 0.31 0.15 0.00 0.70 0.00 0.00 175.22 176.35 2jck s ALA 1135N -0.71 0.35 -0.02 5.36 0.00 0.31 -4.34 121.76 122.71 2jck s ALA 1135Ca 0.11 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.42 2jck s ALA 1135Cb -0.11 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 2jck s ALA 1135CO 0.02 -1.53 -0.26 0.08 0.00 0.00 0.00 175.76 174.07 2jck s VAL 1136N 2.16 2.02 0.00 0.00 1.01 -1.26 -3.52 120.40 120.81 2jck s VAL 1136Ca 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2jck s VAL 1136Cb -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2jck s VAL 1136CO -0.29 0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2jck n GLY 1137N 2.49 1.95 0.12 4.51 0.00 -1.26 -2.99 105.19 110.02 2jck n GLY 1137Ca -0.16 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.42 2jck n GLY 1137CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jck n ARG 1138N 13.14 0.15 0.25 1.61 5.12 -1.26 -2.62 116.66 133.06 2jck n ARG 1138Ca 0.00 0.47 0.12 0.00 -1.93 0.00 0.00 57.85 56.51 2jck n ARG 1138Cb 0.00 -1.84 0.68 0.00 -1.16 0.00 0.00 32.46 30.14 2jck n ARG 1138CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2jck h TYR 1139N 0.00 0.00 0.74 -1.55 -1.99 -1.90 -2.30 116.97 109.97 2jck h TYR 1139Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2jck h TYR 1139Cb 0.23 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.97 2jck h TYR 1139CO 0.00 0.14 -0.36 0.82 -0.00 0.00 0.00 178.16 178.77 2jck h ILE 1140N 0.00 0.27 0.00 -2.88 2.04 -1.71 -0.83 117.51 114.39 2jck h ILE 1140Ca -0.00 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2jck h ILE 1140Cb 0.40 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2jck h ILE 1140CO 0.02 0.00 -0.46 1.05 0.00 0.00 0.00 178.15 178.76 2jck h GLU 1141N -1.01 0.00 0.13 2.37 9.09 -1.78 -2.66 114.58 120.72 2jck h GLU 1141Ca -0.10 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.03 2jck h GLU 1141Cb 0.77 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.88 2jck h GLU 1141CO 0.17 0.46 -1.23 0.45 0.05 0.00 0.00 179.01 178.91 2jck h HIS 1142N 0.00 0.67 0.00 2.06 3.86 -1.40 -3.44 115.15 116.90 2jck h HIS 1142Ca -0.00 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2jck h HIS 1142Cb 1.14 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2jck h HIS 1142CO 0.00 1.33 -0.45 0.66 0.86 0.00 0.00 177.93 180.33 2jck n TYR 1143N -3.64 0.00 -0.06 2.45 4.02 -0.33 -4.90 117.16 114.70 2jck n TYR 1143Ca -0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.72 2jck n TYR 1143Cb 1.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.31 2jck n TYR 1143CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2jck h LEU 1144N 0.00 -0.50 -0.56 7.72 5.85 -1.28 -0.98 115.31 125.55 2jck h LEU 1144Ca 0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jck h LEU 1144Cb 0.37 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2jck h LEU 1144CO 0.00 -0.19 0.34 -0.08 -0.34 0.00 0.00 178.44 178.17 2jck h GLU 1145N -0.12 0.76 -0.60 1.25 4.81 -1.90 -0.82 114.58 117.96 2jck h GLU 1145Ca 0.14 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2jck h GLU 1145Cb 0.34 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2jck h GLU 1145CO -0.35 0.54 0.11 1.49 -0.73 0.00 0.00 179.01 180.08 2jck h GLU 1146N 0.76 0.96 0.26 1.92 4.81 -1.85 -0.07 114.58 121.36 2jck h GLU 1146Ca 0.20 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2jck h GLU 1146Cb -0.02 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2jck h GLU 1146CO -0.04 0.88 -0.13 0.35 -0.73 0.00 0.00 179.01 179.34 2jck h PHE 1147N 0.91 -0.33 -0.59 0.92 3.57 -0.79 -2.57 116.94 118.06 2jck h PHE 1147Ca 0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2jck h PHE 1147Cb 0.37 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2jck h PHE 1147CO 0.02 -0.09 0.19 -0.07 -2.23 0.00 0.00 178.31 176.13 2jck h LEU 1148N -0.52 0.86 -0.35 0.59 3.38 -1.05 -1.01 115.31 117.21 2jck h LEU 1148Ca -0.04 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2jck h LEU 1148Cb 0.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2jck h LEU 1148CO 0.06 0.84 0.18 0.74 0.09 0.00 0.00 178.44 180.35 2jck h THR 1149N 0.84 1.00 -0.26 0.22 2.02 -1.03 -0.07 112.91 115.64 2jck h THR 1149Ca 0.19 -0.13 -0.15 0.00 0.77 0.00 0.00 66.41 67.09 2jck h THR 1149Cb 0.28 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2jck h THR 1149CO -0.01 0.07 -0.46 0.77 0.37 0.00 0.00 175.52 176.26 2jck h SER 1150N 0.38 0.73 -0.71 4.18 4.64 -1.38 -3.04 113.55 118.36 2jck h SER 1150Ca 0.14 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 2jck h SER 1150Cb 0.04 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 2jck h SER 1150CO -0.09 1.08 0.28 0.00 -0.87 0.00 0.00 176.83 177.23 2jck h ALA 1151N 0.94 1.13 -0.92 5.18 0.00 -0.83 0.14 119.26 124.92 2jck h ALA 1151Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2jck h ALA 1151Cb 1.01 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2jck h ALA 1151CO 0.10 0.62 0.60 -0.97 0.00 0.00 0.00 179.25 179.59 2jck h ASN 1152N 1.05 0.96 0.62 0.00 -1.24 -0.93 -0.74 115.58 115.30 2jck h ASN 1152Ca 0.24 -0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.97 2jck h ASN 1152Cb 0.21 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2jck h ASN 1152CO -0.02 0.64 -1.36 0.50 -1.29 0.00 0.00 177.43 175.90 2jck h LYS 1153N 1.10 0.17 0.00 6.67 3.64 -1.26 -3.42 116.57 123.47 2jck h LYS 1153Ca 0.38 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2jck h LYS 1153Cb 0.09 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2jck h LYS 1153CO -0.13 1.05 -1.28 0.72 -2.27 0.00 0.00 179.45 177.54 2jck n HIS 1154N -3.40 0.00 -2.57 1.91 8.25 -0.03 -4.88 115.22 114.50 2jck n HIS 1154Ca -0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 2jck n HIS 1154Cb 1.02 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.96 2jck n HIS 1154CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2jck s PHE 1155N -2.43 3.08 -1.42 4.41 5.36 -0.29 -1.49 117.98 125.20 2jck s PHE 1155Ca -0.02 1.20 -0.08 0.00 -0.96 0.00 0.00 56.93 57.07 2jck s PHE 1155Cb 0.04 -3.54 0.01 0.00 -0.34 0.00 0.00 43.02 39.19 2jck s PHE 1155CO 0.26 -1.01 0.29 -1.33 -1.46 0.00 0.00 175.22 171.96 2jck n MET 1156N 6.69 -1.49 -1.86 10.12 2.81 0.03 -4.82 117.12 128.59 2jck n MET 1156Ca 0.13 0.20 -0.42 0.00 -1.81 0.00 0.00 57.70 55.80 2jck n MET 1156Cb 0.46 -3.69 -0.03 0.00 -0.71 0.00 0.00 33.22 29.25 2jck n MET 1156CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jck s VAL 1157N -4.06 2.40 0.00 2.03 1.01 -1.26 -2.30 120.40 118.22 2jck s VAL 1157Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2jck s VAL 1157Cb -0.06 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2jck s VAL 1157CO 0.95 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.69 2jck n GLY 1158N 3.68 0.41 3.17 4.51 0.00 -1.26 -4.98 105.19 110.72 2jck n GLY 1158Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 2jck n GLY 1158CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jck s HIS 1159N -2.03 1.17 0.26 1.61 4.02 -0.97 -5.00 115.29 114.34 2jck s HIS 1159Ca 0.00 -0.50 -0.31 0.00 1.02 0.00 0.00 55.06 55.28 2jck s HIS 1159Cb 0.00 -0.65 -0.11 0.00 -1.02 0.00 0.00 32.58 30.79 2jck s HIS 1159CO 0.00 0.05 1.61 -2.14 1.02 0.00 0.00 174.74 175.28 2jck s PRO 1160N -1.95 4.14 0.02 8.40 0.02 -1.26 -4.78 135.00 139.60 2jck s PRO 1160Ca -0.01 2.56 0.03 0.00 0.02 0.00 0.00 61.00 63.60 2jck s PRO 1160Cb -0.09 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 2jck s PRO 1160CO 0.02 -0.65 -0.10 0.08 -0.33 0.00 0.00 177.00 176.02 2jck s VAL 1161N 0.35 0.81 -0.13 3.83 1.01 0.92 -1.20 120.40 125.99 2jck s VAL 1161Ca 0.66 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2jck s VAL 1161Cb -0.48 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.19 2jck s VAL 1161CO 0.43 0.01 -0.09 -0.63 0.00 0.00 0.00 175.10 174.81 2jck s ILE 1162N -0.68 1.21 -0.21 2.22 1.01 -0.59 -2.17 121.20 122.00 2jck s ILE 1162Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 2jck s ILE 1162Cb -0.06 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2jck s ILE 1162CO 0.00 0.37 0.51 -0.36 0.00 0.00 0.00 174.94 175.47 2jck s PHE 1163N 1.63 3.36 -0.39 3.97 0.40 -0.08 -1.72 117.98 125.15 2jck s PHE 1163Ca 0.04 0.74 -0.11 0.00 -0.60 0.00 0.00 56.93 57.01 2jck s PHE 1163Cb -0.13 -2.67 0.04 0.00 0.51 0.00 0.00 43.02 40.78 2jck s PHE 1163CO -0.09 -0.12 0.23 0.71 0.70 0.00 0.00 175.22 176.64 2jck s TYR 1164N 1.72 3.27 -0.26 0.36 1.51 0.44 -0.94 117.35 123.44 2jck s TYR 1164Ca 0.23 -1.11 -0.08 0.00 -1.01 0.00 0.00 57.07 55.11 2jck s TYR 1164Cb -0.15 -2.59 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 2jck s TYR 1164CO 0.09 -0.71 0.09 0.42 -1.11 0.00 0.00 175.55 174.33 2jck s ILE 1165N 1.52 4.36 -0.30 2.71 1.01 0.24 -1.56 121.20 129.19 2jck s ILE 1165Ca 0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 2jck s ILE 1165Cb -0.20 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 2jck s ILE 1165CO 0.06 0.28 0.12 -0.04 0.00 0.00 0.00 174.94 175.36 2jck s MET 1166N 1.61 3.23 0.13 2.79 -1.94 -0.09 -0.41 119.30 124.62 2jck s MET 1166Ca 0.06 -0.78 0.04 0.00 -1.71 0.00 0.00 55.69 53.30 2jck s MET 1166Cb -0.15 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 2jck s MET 1166CO 0.04 -0.42 -0.09 0.14 -0.01 0.00 0.00 175.02 174.67 2jck s VAL 1167N 1.56 1.03 -0.51 -6.03 -7.23 -0.61 -0.53 120.40 108.08 2jck s VAL 1167Ca 0.04 -1.94 0.23 0.00 -1.81 0.00 0.00 61.98 58.50 2jck s VAL 1167Cb -0.17 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2jck s VAL 1167CO 0.04 -0.73 1.19 -2.24 -0.31 0.00 0.00 175.10 173.06 2jck h ASP 1168N 3.00 0.00 -2.82 4.85 2.03 -1.73 0.27 116.42 122.02 2jck h ASP 1168Ca -0.36 -0.17 -0.53 0.00 -0.73 0.00 0.00 57.03 55.23 2jck h ASP 1168Cb 1.18 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.28 2jck h ASP 1168CO 0.61 0.08 -0.78 -0.62 -1.03 0.00 0.00 179.24 177.51 2jck s ASP 1169N -4.56 3.54 0.41 4.15 -1.08 -1.26 -4.70 116.67 113.17 2jck s ASP 1169Ca 0.04 -1.29 0.18 0.00 -0.52 0.00 0.00 52.55 50.96 2jck s ASP 1169Cb 0.12 -0.38 0.87 0.00 -1.46 0.00 0.00 42.92 42.07 2jck s ASP 1169CO 0.75 -0.44 1.84 0.58 0.52 0.00 0.00 175.17 178.43 2jck h VAL 1170N 6.42 0.96 0.00 1.11 2.07 -1.93 -2.64 116.25 122.24 2jck h VAL 1170Ca -0.19 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 2jck h VAL 1170Cb 1.01 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2jck h VAL 1170CO 0.44 0.31 -0.02 0.77 0.02 0.00 0.00 177.57 179.09 2jck h SER 1171N 0.00 0.00 0.28 0.57 4.64 -2.00 -0.31 113.55 116.73 2jck h SER 1171Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jck h SER 1171Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2jck h SER 1171CO 0.04 0.02 -0.01 0.54 -0.87 0.00 0.00 176.83 176.55 2jck n ARG 1172N -3.20 0.73 -2.30 4.77 1.74 -0.99 -4.95 116.66 112.47 2jck n ARG 1172Ca -0.02 -0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 2jck n ARG 1172Cb 0.16 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2jck n ARG 1172CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2jck s MET 1173N -2.29 3.24 -0.29 5.56 -1.94 -0.13 -4.89 119.30 118.57 2jck s MET 1173Ca 0.38 0.63 -0.29 0.00 -1.71 0.00 0.00 55.69 54.70 2jck s MET 1173Cb 0.21 -4.16 -0.02 0.00 2.01 0.00 0.00 34.83 32.87 2jck s MET 1173CO 0.42 -2.00 1.75 -1.25 -0.01 0.00 0.00 175.02 173.93 2jck s PRO 1174N 5.67 3.49 -1.19 2.03 0.04 -1.26 -4.87 135.00 138.91 2jck s PRO 1174Ca 0.58 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 2jck s PRO 1174Cb -0.13 -4.15 0.23 0.00 0.04 0.00 0.00 34.50 30.50 2jck s PRO 1174CO 0.26 -1.67 1.70 1.28 0.04 0.00 0.00 177.00 178.61 2jck n LEU 1175N 9.67 6.55 -4.41 -3.56 4.77 -1.26 -4.90 117.00 123.86 2jck n LEU 1175Ca 0.22 -4.91 -0.29 0.00 -0.03 0.00 0.00 56.01 51.00 2jck n LEU 1175Cb 0.46 -1.38 0.27 0.00 -2.33 0.00 0.00 43.42 40.44 2jck n LEU 1175CO 0.67 1.52 0.42 2.30 -1.33 0.00 0.00 177.39 180.98 2jck n ILE 1176N 2.41 0.00 -3.20 -0.08 -5.35 -1.26 -4.97 119.36 106.91 2jck n ILE 1176Ca 0.33 -0.42 -0.39 0.00 -0.27 0.00 0.00 62.75 62.01 2jck n ILE 1176Cb 0.35 -0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 37.21 2jck n ILE 1176CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2jck s GLU 1177N -4.43 4.35 0.11 6.28 2.12 -1.26 -5.06 118.70 120.80 2jck s GLU 1177Ca 0.68 0.60 -0.03 0.00 0.36 0.00 0.00 54.97 56.59 2jck s GLU 1177Cb -0.23 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 2jck s GLU 1177CO 0.65 0.06 0.30 -0.51 -0.54 0.00 0.00 175.26 175.22 2jck s LEU 1178N 0.89 4.31 0.00 2.70 1.43 -1.26 -5.04 118.68 121.71 2jck s LEU 1178Ca 0.30 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2jck s LEU 1178Cb -0.16 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.95 2jck s LEU 1178CO 0.13 0.10 0.30 0.61 0.23 0.00 0.00 176.35 177.72 2jck n GLY 1179N 0.18 0.82 3.65 -3.19 0.00 -1.26 -4.96 105.19 100.43 2jck n GLY 1179Ca -0.04 -1.99 -0.45 0.00 0.00 0.00 0.00 46.02 43.55 2jck n GLY 1179CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jck n PRO 1180N -1.54 1.85 -1.13 1.61 -0.02 -1.26 -2.28 135.00 132.22 2jck n PRO 1180Ca 0.05 0.65 -0.04 0.00 -2.02 0.00 0.00 63.50 62.14 2jck n PRO 1180Cb 0.18 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 2jck n PRO 1180CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jck n LEU 1181N 1.65 -0.02 -4.42 2.45 4.77 -1.26 -4.86 117.00 115.31 2jck n LEU 1181Ca 0.10 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.88 2jck n LEU 1181Cb 0.32 -1.62 -0.13 0.00 -2.33 0.00 0.00 43.42 39.65 2jck n LEU 1181CO 0.62 -0.54 -0.52 -0.13 -1.33 0.00 0.00 177.39 175.49 2jck s ARG 1182N -1.82 2.00 0.18 3.23 3.00 -0.97 -0.05 118.95 124.53 2jck s ARG 1182Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 55.73 54.51 2jck s ARG 1182Cb 0.00 -2.12 0.05 0.00 0.00 0.00 0.00 34.95 32.88 2jck s ARG 1182CO 0.00 0.53 0.58 -1.54 0.00 0.00 0.00 175.30 174.87 2jck s SER 1183N -1.32 -0.42 0.29 0.23 1.04 -0.92 -4.77 113.70 107.83 2jck s SER 1183Ca 0.13 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.38 2jck s SER 1183Cb -0.10 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 2jck s SER 1183CO 0.04 -1.03 0.20 0.72 0.98 0.00 0.00 173.24 174.15 2jck s PHE 1184N -3.81 1.56 -0.18 5.02 -0.12 -1.26 -0.90 117.98 118.29 2jck s PHE 1184Ca 0.04 -1.50 -0.08 0.00 -0.05 0.00 0.00 56.93 55.35 2jck s PHE 1184Cb -0.01 -0.73 0.08 0.00 -0.63 0.00 0.00 43.02 41.73 2jck s PHE 1184CO -0.08 -0.70 0.41 0.21 -0.05 0.00 0.00 175.22 175.01 2jck s LYS 1185N -3.74 0.34 -0.11 1.99 2.20 -0.11 -4.89 119.74 115.41 2jck s LYS 1185Ca 0.38 0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 56.92 2jck s LYS 1185Cb 0.04 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2jck s LYS 1185CO 0.20 -0.22 -0.09 0.08 -0.36 0.00 0.00 175.35 174.96 2jck s VAL 1186N 2.15 3.43 -0.01 4.02 1.01 -1.26 -0.59 120.40 129.15 2jck s VAL 1186Ca -0.04 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.46 2jck s VAL 1186Cb -0.11 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2jck s VAL 1186CO -0.13 0.54 -0.22 -0.36 0.00 0.00 0.00 175.10 174.94 2jck s PHE 1187N -0.02 1.94 -0.22 5.22 0.40 0.46 -4.96 117.98 120.78 2jck s PHE 1187Ca -0.01 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 2jck s PHE 1187Cb -0.14 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 2jck s PHE 1187CO 0.03 -0.03 0.50 0.21 0.70 0.00 0.00 175.22 176.63 2jck s LYS 1188N -0.53 4.14 0.38 0.44 2.20 -1.26 -1.58 119.74 123.54 2jck s LYS 1188Ca 0.08 0.35 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 2jck s LYS 1188Cb -0.08 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2jck s LYS 1188CO -0.01 -0.21 0.15 0.96 -0.36 0.00 0.00 175.35 175.88 2jck s ILE 1189N 1.85 2.59 0.02 5.43 -4.36 0.95 -4.94 121.20 122.73 2jck s ILE 1189Ca 0.22 -1.73 -0.27 0.00 -0.26 0.00 0.00 60.65 58.62 2jck s ILE 1189Cb -0.15 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 2jck s ILE 1189CO 0.09 -0.09 0.83 -0.75 0.24 0.00 0.00 174.94 175.27 2jck s LYS 1190N -3.86 4.53 -0.02 0.37 2.20 -1.26 -4.20 119.74 117.49 2jck s LYS 1190Ca 0.39 1.17 -0.29 0.00 -0.36 0.00 0.00 55.97 56.88 2jck s LYS 1190Cb 0.01 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2jck s LYS 1190CO 0.22 0.14 0.94 -1.25 -0.36 0.00 0.00 175.35 175.04 2jck s PRO 1191N 0.42 4.52 0.57 4.03 0.04 -1.26 -4.98 135.00 138.34 2jck s PRO 1191Ca 0.43 1.34 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 2jck s PRO 1191Cb -0.20 -3.47 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 2jck s PRO 1191CO 0.24 -0.07 1.01 -1.21 0.04 0.00 0.00 177.00 177.01 2jck s GLU 1192N 1.11 3.77 -0.06 4.56 0.41 -1.26 -5.02 118.70 122.19 2jck s GLU 1192Ca 0.49 0.85 -0.08 0.00 -0.41 0.00 0.00 54.97 55.82 2jck s GLU 1192Cb -0.20 -2.11 -0.05 0.00 -1.78 0.00 0.00 34.13 30.00 2jck s GLU 1192CO 0.25 -0.43 0.35 -0.22 -0.49 0.00 0.00 175.26 174.73 2jck h LYS 1193N 0.28 -0.29 -6.75 1.61 3.64 -1.96 -3.46 116.57 109.64 2jck h LYS 1193Ca -0.45 0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.43 2jck h LYS 1193Cb 1.19 0.07 0.03 0.00 -0.41 0.00 0.00 32.23 33.10 2jck h LYS 1193CO 0.62 -0.19 0.56 1.03 -2.27 0.00 0.00 179.45 179.20 2jck s ARG 1194N -2.53 4.49 0.41 1.90 0.52 -1.26 -4.93 118.95 117.56 2jck s ARG 1194Ca -0.04 1.95 0.09 0.00 -0.52 0.00 0.00 55.73 57.20 2jck s ARG 1194Cb 0.00 -3.19 0.87 0.00 0.52 0.00 0.00 34.95 33.16 2jck s ARG 1194CO 0.13 -0.05 2.00 0.11 0.02 0.00 0.00 175.30 177.52 2jck h TRP 1195N 4.51 0.34 -0.61 -0.53 5.08 -2.00 -1.44 115.95 121.29 2jck h TRP 1195Ca -0.46 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.45 2jck h TRP 1195Cb 1.22 -0.11 -0.03 0.00 -3.00 0.00 0.00 29.16 27.24 2jck h TRP 1195CO 0.60 0.31 0.20 1.96 -1.28 0.00 0.00 178.44 180.23 2jck h GLN 1196N 0.34 0.92 -0.04 0.12 7.50 -1.99 -1.85 115.11 120.11 2jck h GLN 1196Ca 0.08 -0.17 -0.12 0.00 0.50 0.00 0.00 58.65 58.94 2jck h GLN 1196Cb 0.15 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2jck h GLN 1196CO -0.00 0.79 -0.54 -0.44 -1.50 0.00 0.00 178.83 177.14 2jck h ASP 1197N 0.90 0.12 -0.31 1.46 3.32 -1.68 -1.55 116.42 118.67 2jck h ASP 1197Ca 0.20 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2jck h ASP 1197Cb 0.25 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2jck h ASP 1197CO -0.01 0.63 0.12 0.40 -1.72 0.00 0.00 179.24 178.67 2jck h ILE 1198N 0.08 1.18 -0.35 0.35 2.04 -0.72 0.18 117.51 120.27 2jck h ILE 1198Ca -0.00 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2jck h ILE 1198Cb 0.98 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2jck h ILE 1198CO 0.08 0.19 0.11 -1.28 0.00 0.00 0.00 178.15 177.25 2jck h SER 1199N 0.36 0.52 0.23 1.72 0.87 -1.20 -3.13 113.55 112.91 2jck h SER 1199Ca 0.10 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.30 2jck h SER 1199Cb 0.18 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2jck h SER 1199CO -0.01 0.59 -0.59 0.24 -0.53 0.00 0.00 176.83 176.53 2jck h MET 1200N 0.42 0.37 0.00 2.24 2.86 -1.14 -3.05 114.93 116.62 2jck h MET 1200Ca 0.11 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2jck h MET 1200Cb 0.26 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2jck h MET 1200CO -0.00 0.85 0.00 1.98 1.06 0.00 0.00 176.91 180.80 2jck h MET 1201N 0.28 0.00 -0.59 1.72 -1.53 -0.59 -2.37 114.93 111.84 2jck h MET 1201Ca -0.00 0.00 0.03 0.00 -3.44 0.00 0.00 59.70 56.29 2jck h MET 1201Cb 1.11 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.13 2jck h MET 1201CO 0.10 0.00 0.39 0.00 0.14 0.00 0.00 176.91 177.54 2jck h ARG 1202N 0.00 0.68 -0.82 0.39 3.08 -1.51 -1.59 114.38 114.61 2jck h ARG 1202Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2jck h ARG 1202Cb 0.22 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2jck h ARG 1202CO 0.00 0.45 0.48 0.52 -1.07 0.00 0.00 179.97 180.35 2jck h MET 1203N 0.70 1.12 0.21 0.04 2.86 -1.63 0.46 114.93 118.68 2jck h MET 1203Ca 0.24 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2jck h MET 1203Cb 0.07 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.50 2jck h MET 1203CO -0.06 0.79 -0.10 -0.22 1.06 0.00 0.00 176.91 178.38 2jck h LYS 1204N 1.12 -0.27 -0.74 1.72 3.64 -1.49 -2.83 116.57 117.71 2jck h LYS 1204Ca 0.29 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2jck h LYS 1204Cb -0.03 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2jck h LYS 1204CO -0.05 0.02 0.45 1.15 -2.27 0.00 0.00 179.45 178.74 2jck h THR 1205N -0.55 1.21 -0.31 1.00 2.02 -1.18 -1.98 112.91 113.13 2jck h THR 1205Ca -0.03 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2jck h THR 1205Cb 0.41 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2jck h THR 1205CO 0.05 0.22 0.19 0.40 0.37 0.00 0.00 175.52 176.75 2jck h ILE 1206N 1.02 1.10 -0.41 3.11 2.04 -0.96 -1.65 117.51 121.75 2jck h ILE 1206Ca 0.27 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.95 2jck h ILE 1206Cb -0.03 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2jck h ILE 1206CO -0.05 0.10 0.17 1.23 0.00 0.00 0.00 178.15 179.60 2jck h GLY 1207N 0.40 0.54 0.65 5.37 0.00 -1.22 -0.02 103.07 108.80 2jck h GLY 1207Ca 0.11 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2jck h GLY 1207CO -0.02 0.06 0.33 0.83 0.00 0.00 0.00 176.54 177.75 2jck h GLU 1208N 0.36 0.60 -0.05 4.80 5.08 -1.09 -2.02 114.58 122.26 2jck h GLU 1208Ca 0.18 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2jck h GLU 1208Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2jck h GLU 1208CO -0.16 0.40 -0.49 0.45 -1.00 0.00 0.00 179.01 178.21 2jck h HIS 1209N 0.62 0.14 -0.08 4.33 3.86 -0.65 -1.41 115.15 121.95 2jck h HIS 1209Ca 0.29 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2jck h HIS 1209Cb 0.20 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2jck h HIS 1209CO -0.09 0.59 0.01 0.82 0.86 0.00 0.00 177.93 180.11 2jck h ILE 1210N 0.09 1.23 0.07 2.45 2.04 -0.42 -0.28 117.51 122.69 2jck h ILE 1210Ca 0.00 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2jck h ILE 1210Cb 0.91 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2jck h ILE 1210CO 0.07 0.20 -0.03 0.58 0.00 0.00 0.00 178.15 178.97 2jck h VAL 1211N -0.12 0.98 -0.50 1.67 2.07 -1.31 -1.37 116.25 117.67 2jck h VAL 1211Ca 0.02 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2jck h VAL 1211Cb 0.31 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2jck h VAL 1211CO 0.00 0.04 0.29 0.00 0.02 0.00 0.00 177.57 177.92 2jck h ALA 1212N 0.77 0.64 0.00 1.67 0.00 -1.24 -3.45 119.26 117.65 2jck h ALA 1212Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jck h ALA 1212Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jck h ALA 1212CO 0.02 0.15 0.00 -2.39 0.00 0.00 0.00 179.25 177.02 2jck n HIS 1213N -4.67 0.00 -0.35 0.00 -0.00 -0.25 -4.95 115.22 105.00 2jck n HIS 1213Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.78 2jck n HIS 1213Cb 0.07 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.26 2jck n HIS 1213CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2jck h ILE 1214N 0.00 1.07 -0.31 0.61 2.04 -1.17 -1.32 117.51 118.42 2jck h ILE 1214Ca 0.00 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.56 2jck h ILE 1214Cb 0.00 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 35.91 2jck h ILE 1214CO 0.00 0.21 0.28 0.06 0.00 0.00 0.00 178.15 178.69 2jck h GLN 1215N 1.13 0.00 -0.00 2.37 3.07 -1.49 -0.07 115.11 120.12 2jck h GLN 1215Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 2jck h GLN 1215Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2jck h GLN 1215CO -0.17 0.00 -0.64 0.72 0.09 0.00 0.00 178.83 178.83 2jck n HIS 1216N -4.05 0.00 -0.01 0.06 8.25 -0.52 -4.48 115.22 114.47 2jck n HIS 1216Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.55 2jck n HIS 1216Cb 0.44 -0.14 -0.09 0.00 1.12 0.00 0.00 29.99 31.31 2jck n HIS 1216CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2jck n GLU 1217N -1.35 0.70 -4.24 -0.41 1.02 -0.09 -5.06 120.64 111.21 2jck n GLU 1217Ca 0.06 -0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 2jck n GLU 1217Cb 0.34 -1.29 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 2jck n GLU 1217CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2jck s VAL 1218N -2.74 0.71 -0.17 2.62 -7.23 -0.89 -4.78 120.40 107.92 2jck s VAL 1218Ca -0.05 -1.98 0.18 0.00 -1.81 0.00 0.00 61.98 58.32 2jck s VAL 1218Cb 0.07 -2.11 -0.25 0.00 0.56 0.00 0.00 36.38 34.65 2jck s VAL 1218CO 0.50 -0.49 0.17 0.47 -0.31 0.00 0.00 175.10 175.44 2jck n ASP 1219N -0.24 0.09 -3.94 4.85 8.00 0.06 -4.78 116.55 120.59 2jck n ASP 1219Ca -0.07 0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 2jck n ASP 1219Cb 0.63 0.99 -0.10 0.00 -0.02 0.00 0.00 41.12 42.62 2jck n ASP 1219CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jck s PHE 1220N -2.60 0.18 0.01 1.24 0.40 -1.22 -4.23 117.98 111.76 2jck s PHE 1220Ca -0.09 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 2jck s PHE 1220Cb 0.07 -0.14 -0.01 0.00 0.51 0.00 0.00 43.02 43.45 2jck s PHE 1220CO 0.84 -0.24 -0.02 -1.17 0.70 0.00 0.00 175.22 175.32 2jck s LEU 1221N -1.52 2.09 -0.04 -0.37 2.96 0.12 -0.94 118.68 120.97 2jck s LEU 1221Ca -0.14 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 2jck s LEU 1221Cb -0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 2jck s LEU 1221CO -0.01 -0.10 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.34 2jck s PHE 1222N -0.53 2.21 -0.24 5.38 0.08 -0.30 -0.84 117.98 123.74 2jck s PHE 1222Ca -0.05 -0.59 -0.04 0.00 0.12 0.00 0.00 56.93 56.37 2jck s PHE 1222Cb -0.04 -1.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.97 2jck s PHE 1222CO -0.00 -0.16 -0.03 0.00 -0.10 0.00 0.00 175.22 174.94 2jck s MET 1224N 1.43 1.28 0.60 0.00 1.00 -0.89 -2.35 119.30 120.37 2jck s MET 1224Ca 0.03 -1.46 -0.16 0.00 0.00 0.00 0.00 55.69 54.11 2jck s MET 1224Cb -0.16 -1.24 -0.03 0.00 0.00 0.00 0.00 34.83 33.40 2jck s MET 1224CO -0.03 0.24 1.07 -0.51 0.00 0.00 0.00 175.02 175.79 2jck s ASP 1225N -2.88 5.68 0.13 3.03 1.11 -0.09 -4.33 116.67 119.33 2jck s ASP 1225Ca 0.18 1.85 0.18 0.00 0.18 0.00 0.00 52.55 54.94 2jck s ASP 1225Cb -0.04 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.35 2jck s ASP 1225CO 0.07 -1.24 0.97 1.62 1.18 0.00 0.00 175.17 177.77 2jck h VAL 1226N 0.38 0.36 -0.12 -1.27 3.04 -1.92 -3.40 116.25 113.32 2jck h VAL 1226Ca -0.47 -1.68 -0.60 0.00 -1.01 0.00 0.00 66.70 62.94 2jck h VAL 1226Cb 1.22 1.90 -0.00 0.00 -2.01 0.00 0.00 31.29 32.41 2jck h VAL 1226CO 0.57 0.21 3.02 -0.90 -1.01 0.00 0.00 177.57 179.46 2jck n ASP 1227N -2.86 8.13 -3.52 3.17 5.75 -1.26 -4.63 116.55 121.33 2jck n ASP 1227Ca -0.05 -2.62 -0.11 0.00 -0.01 0.00 0.00 54.79 52.00 2jck n ASP 1227Cb 0.73 -1.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.29 2jck n ASP 1227CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jck s GLN 1228N 1.63 1.36 -0.02 0.11 -2.07 -1.26 -1.66 119.66 117.76 2jck s GLN 1228Ca 0.68 -0.59 0.02 0.00 -1.82 0.00 0.00 55.36 53.65 2jck s GLN 1228Cb 0.21 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.71 2jck s GLN 1228CO -0.06 -0.60 -0.07 0.08 -1.32 0.00 0.00 175.29 173.33 2jck s VAL 1229N -3.79 0.59 0.07 3.63 1.01 -0.19 -4.36 120.40 117.35 2jck s VAL 1229Ca 0.03 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 2jck s VAL 1229Cb -0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 2jck s VAL 1229CO -0.09 0.19 1.29 -0.36 0.00 0.00 0.00 175.10 176.13 2jck s PHE 1230N 0.20 3.29 -0.05 5.22 0.40 -1.26 -1.40 117.98 124.39 2jck s PHE 1230Ca -0.02 1.12 0.16 0.00 -0.60 0.00 0.00 56.93 57.58 2jck s PHE 1230Cb -0.07 -3.54 -0.24 0.00 0.51 0.00 0.00 43.02 39.68 2jck s PHE 1230CO 0.00 -1.81 0.30 1.04 0.70 0.00 0.00 175.22 175.45 2jck n GLN 1231N 4.15 0.69 -3.57 0.44 1.13 0.73 -4.84 117.38 116.11 2jck n GLN 1231Ca 0.10 -0.12 -0.09 0.00 -1.94 0.00 0.00 57.00 54.96 2jck n GLN 1231Cb 0.45 -1.38 0.02 0.00 0.11 0.00 0.00 30.24 29.44 2jck n GLN 1231CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2jck n ASP 1232N -2.15 -2.07 -4.67 1.08 -0.08 -1.11 -4.92 116.55 102.62 2jck n ASP 1232Ca -0.07 -2.49 -0.49 0.00 -1.51 0.00 0.00 54.79 50.23 2jck n ASP 1232Cb 0.53 3.47 -0.05 0.00 2.34 0.00 0.00 41.12 47.41 2jck n ASP 1232CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jck n LYS 1233N -0.50 1.87 -3.84 -0.67 4.76 -1.26 -4.72 118.16 113.79 2jck n LYS 1233Ca -0.08 0.68 -0.29 0.00 -2.87 0.00 0.00 58.31 55.75 2jck n LYS 1233Cb 0.55 -2.44 -0.13 0.00 -1.84 0.00 0.00 35.03 31.16 2jck n LYS 1233CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2jck s PHE 1234N 2.37 2.79 0.00 2.13 5.36 -0.55 -4.83 117.98 125.25 2jck s PHE 1234Ca 0.88 -2.94 0.00 0.00 -0.96 0.00 0.00 56.93 53.91 2jck s PHE 1234Cb -0.78 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 2jck s PHE 1234CO 0.48 -0.72 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 2jck n GLY 1235N 3.03 4.67 0.05 13.12 0.00 -1.26 -0.79 105.19 124.01 2jck n GLY 1235Ca 0.10 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.12 2jck n GLY 1235CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jck n VAL 1236N 0.00 1.68 0.55 1.61 0.24 -1.26 -1.24 118.33 119.92 2jck n VAL 1236Ca 0.00 0.57 0.07 0.00 -2.04 0.00 0.00 64.34 62.95 2jck n VAL 1236Cb 0.00 -1.57 0.34 0.00 -1.47 0.00 0.00 33.84 31.14 2jck n VAL 1236CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2jck n GLU 1237N -1.71 0.02 0.00 7.34 0.00 -1.26 -2.06 120.64 122.97 2jck n GLU 1237Ca -0.00 0.22 0.12 0.00 0.00 0.00 0.00 57.16 57.50 2jck n GLU 1237Cb 0.02 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.12 2jck n GLU 1237CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2jck n THR 1238N -1.48 0.00 -2.53 3.84 -2.24 -0.37 -4.97 114.28 106.53 2jck n THR 1238Ca 0.04 -0.33 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 2jck n THR 1238Cb 0.18 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 2jck n THR 1238CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jck s LEU 1239N -2.23 3.80 0.00 3.22 1.43 -0.87 -4.92 118.68 119.10 2jck s LEU 1239Ca 0.26 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2jck s LEU 1239Cb 0.19 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.87 2jck s LEU 1239CO 0.43 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2jck n GLY 1240N -0.60 0.52 0.11 -3.19 0.00 -1.26 -4.98 105.19 95.79 2jck n GLY 1240Ca 0.08 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 2jck n GLY 1240CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jck h GLU 1241N 0.00 0.08 -3.29 1.61 4.39 -1.92 -3.25 114.58 112.20 2jck h GLU 1241Ca 0.00 -0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.37 2jck h GLU 1241Cb 0.00 -0.02 -0.36 0.00 -0.10 0.00 0.00 28.75 28.27 2jck h GLU 1241CO 0.00 0.05 -0.70 -1.54 -1.16 0.00 0.00 179.01 175.66 2jck s SER 1242N -5.25 0.68 -0.12 1.42 1.04 -1.26 -1.23 113.70 108.99 2jck s SER 1242Ca -0.13 0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.49 2jck s SER 1242Cb 0.10 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2jck s SER 1242CO 0.69 -0.21 -0.22 -0.69 0.98 0.00 0.00 173.24 173.78 2jck s VAL 1243N 1.87 2.13 0.22 5.02 1.01 0.91 -0.86 120.40 130.70 2jck s VAL 1243Ca 0.00 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.10 2jck s VAL 1243Cb -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2jck s VAL 1243CO -0.04 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 2jck s ALA 1244N 0.53 2.93 -0.18 5.51 0.00 -0.64 -1.43 121.76 128.48 2jck s ALA 1244Ca -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.19 2jck s ALA 1244Cb -0.17 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2jck s ALA 1244CO 0.05 0.37 -0.08 -1.14 0.00 0.00 0.00 175.76 174.96 2jck s GLN 1245N -3.17 3.38 -0.02 0.00 2.00 -1.24 -0.69 119.66 119.92 2jck s GLN 1245Ca 0.27 -0.65 -0.30 0.00 -2.00 0.00 0.00 55.36 52.69 2jck s GLN 1245Cb -0.07 -2.86 -0.05 0.00 0.80 0.00 0.00 33.01 30.83 2jck s GLN 1245CO 0.16 -0.03 1.39 -0.51 -0.50 0.00 0.00 175.29 175.80 2jck s LEU 1246N 1.02 4.30 0.11 3.68 1.43 -0.65 -0.14 118.68 128.43 2jck s LEU 1246Ca -0.00 2.06 -0.31 0.00 -1.03 0.00 0.00 54.13 54.85 2jck s LEU 1246Cb -0.15 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 2jck s LEU 1246CO -0.01 -0.73 1.30 -1.58 0.23 0.00 0.00 176.35 175.56 2jck s GLN 1247N 2.59 4.38 0.35 1.70 -0.44 -0.72 -4.25 119.66 123.27 2jck s GLN 1247Ca 0.63 1.94 0.11 0.00 -2.50 0.00 0.00 55.36 55.55 2jck s GLN 1247Cb -0.30 -3.28 0.90 0.00 -1.64 0.00 0.00 33.01 28.69 2jck s GLN 1247CO 0.25 -0.33 1.80 0.00 0.50 0.00 0.00 175.29 177.51 2jck h ALA 1248N 6.57 1.92 0.00 1.58 0.00 -1.90 -2.73 119.26 124.70 2jck h ALA 1248Ca -0.42 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2jck h ALA 1248Cb 1.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jck h ALA 1248CO 0.83 -0.28 -0.28 -1.49 0.00 0.00 0.00 179.25 178.03 2jck h TRP 1249N 0.60 0.00 -0.05 0.00 4.06 -1.95 -3.38 115.95 115.23 2jck h TRP 1249Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 2jck h TRP 1249Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 2jck h TRP 1249CO -0.00 0.13 0.00 0.91 -3.56 0.00 0.00 178.44 175.92 2jck n TRP 1250N -3.07 0.07 0.28 0.49 7.02 -1.05 -4.75 117.44 116.43 2jck n TRP 1250Ca 0.03 -0.23 0.18 0.00 -1.02 0.00 0.00 57.50 56.45 2jck n TRP 1250Cb 0.59 -0.02 0.91 0.00 -2.42 0.00 0.00 31.31 30.37 2jck n TRP 1250CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2jck h TYR 1251N 0.68 0.00 -0.13 -5.99 -0.00 -1.68 0.13 116.97 109.98 2jck h TYR 1251Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2jck h TYR 1251Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.08 2jck h TYR 1251CO 0.03 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.82 2jck n LYS 1252N -3.22 1.35 -2.20 0.10 5.02 -1.26 -5.03 118.16 112.92 2jck n LYS 1252Ca -0.01 -1.50 -0.31 0.00 -2.02 0.00 0.00 58.31 54.48 2jck n LYS 1252Cb 0.32 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 2jck n LYS 1252CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jck s ALA 1253N -1.02 3.12 0.22 7.82 0.00 0.03 -5.04 121.76 126.90 2jck s ALA 1253Ca 0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 2jck s ALA 1253Cb 0.11 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 2jck s ALA 1253CO 0.16 -0.43 1.09 0.34 0.00 0.00 0.00 175.76 176.91 2jck s ASP 1254N -3.64 7.30 0.38 0.00 -1.08 -1.26 -4.94 116.67 113.42 2jck s ASP 1254Ca 0.56 2.15 0.18 0.00 -0.52 0.00 0.00 52.55 54.93 2jck s ASP 1254Cb -0.10 -2.61 1.11 0.00 -1.46 0.00 0.00 42.92 39.85 2jck s ASP 1254CO 0.42 -0.16 1.73 -0.65 0.52 0.00 0.00 175.17 177.03 2jck h PRO 1255N 4.50 0.36 0.00 4.34 0.11 -1.90 0.16 132.00 139.56 2jck h PRO 1255Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jck h PRO 1255Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jck h PRO 1255CO 0.70 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.82 2jck n ASN 1256N -4.74 0.36 0.03 -2.05 3.02 -1.26 -1.49 115.26 109.12 2jck n ASN 1256Ca 0.28 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.55 2jck n ASN 1256Cb 0.96 -0.67 0.07 0.00 -0.61 0.00 0.00 39.78 39.52 2jck n ASN 1256CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jck n ASP 1257N -1.91 0.63 -4.72 6.41 8.00 0.54 -4.94 116.55 120.56 2jck n ASP 1257Ca 0.02 -0.20 -0.40 0.00 0.71 0.00 0.00 54.79 54.92 2jck n ASP 1257Cb 0.16 0.62 0.02 0.00 -0.02 0.00 0.00 41.12 41.90 2jck n ASP 1257CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jck n PHE 1258N -1.90 2.21 -0.79 1.24 0.99 -0.56 -4.88 117.46 113.76 2jck n PHE 1258Ca 0.03 0.47 -0.10 0.00 -0.00 0.00 0.00 57.45 57.84 2jck n PHE 1258Cb 0.42 -2.38 -0.00 0.00 -1.00 0.00 0.00 39.48 36.52 2jck n PHE 1258CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2jck n THR 1259N -0.45 2.53 -0.86 4.37 -2.24 -1.26 -4.94 114.28 111.43 2jck n THR 1259Ca 0.07 -1.29 -0.30 0.00 -2.27 0.00 0.00 64.05 60.26 2jck n THR 1259Cb 0.41 -1.48 0.17 0.00 -2.10 0.00 0.00 70.33 67.33 2jck n THR 1259CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2jck s TYR 1260N -0.85 1.86 -0.08 4.78 4.12 -1.26 -4.77 117.35 121.14 2jck s TYR 1260Ca 0.24 1.50 -0.30 0.00 0.02 0.00 0.00 57.07 58.53 2jck s TYR 1260Cb 0.16 -3.20 -0.04 0.00 -1.52 0.00 0.00 41.96 37.36 2jck s TYR 1260CO -0.02 -2.81 1.41 -2.00 0.02 0.00 0.00 175.55 172.14 2jck s GLU 1261N -4.71 4.24 -0.03 -0.62 2.56 -1.26 -4.90 118.70 113.98 2jck s GLU 1261Ca 0.66 1.89 0.16 0.00 0.00 0.00 0.00 54.97 57.68 2jck s GLU 1261Cb -0.21 -3.77 0.50 0.00 2.00 0.00 0.00 34.13 32.65 2jck s GLU 1261CO 0.59 -0.70 1.42 0.54 -0.56 0.00 0.00 175.26 176.55 2jck n ARG 1262N 6.36 2.95 -3.66 4.30 5.12 -1.26 -1.72 116.66 128.74 2jck n ARG 1262Ca 0.14 -2.43 -0.37 0.00 -1.93 0.00 0.00 57.85 53.26 2jck n ARG 1262Cb 0.44 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 2jck n ARG 1262CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2jck s ARG 1263N -1.23 3.88 0.44 5.56 0.52 -1.26 -4.93 118.95 121.92 2jck s ARG 1263Ca 0.37 -0.36 0.30 0.00 -0.52 0.00 0.00 55.73 55.52 2jck s ARG 1263Cb 0.21 -3.53 1.58 0.00 0.52 0.00 0.00 34.95 33.73 2jck s ARG 1263CO 0.23 -0.14 1.92 1.57 0.02 0.00 0.00 175.30 178.90 2jck h LYS 1264N 8.17 0.00 0.00 3.54 2.10 -1.97 -2.05 116.57 126.36 2jck h LYS 1264Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2jck h LYS 1264Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2jck h LYS 1264CO 0.58 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.96 2jck h GLU 1265N 0.00 0.00 -6.20 0.07 3.07 -2.01 -3.44 114.58 106.07 2jck h GLU 1265Ca 0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 2jck h GLU 1265Cb 0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 2jck h GLU 1265CO 0.00 0.00 -0.18 0.45 -1.40 0.00 0.00 179.01 177.88 2jck s SER 1266N -4.99 6.71 0.34 1.42 0.15 -0.77 -4.92 113.70 111.64 2jck s SER 1266Ca 0.04 0.90 0.26 0.00 0.70 0.00 0.00 55.95 57.85 2jck s SER 1266Cb 0.09 -2.22 1.13 0.00 -1.71 0.00 0.00 66.02 63.31 2jck s SER 1266CO 0.49 0.14 1.79 0.00 1.20 0.00 0.00 173.24 176.86 2jck h ALA 1267N 3.62 1.00 -0.07 5.45 0.00 -1.85 -2.27 119.26 125.13 2jck h ALA 1267Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jck h ALA 1267Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jck h ALA 1267CO 0.66 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2jck n ALA 1268N -1.86 2.55 -1.64 0.00 0.00 -1.26 -4.97 120.51 113.33 2jck n ALA 1268Ca 0.01 -0.48 -0.47 0.00 0.00 0.00 0.00 53.44 52.50 2jck n ALA 1268Cb 0.23 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2jck n ALA 1268CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jck n TYR 1269N 0.26 2.00 -3.73 0.00 9.36 -0.86 -4.31 117.16 119.88 2jck n TYR 1269Ca 0.18 0.43 -0.26 0.00 3.32 0.00 0.00 57.90 61.57 2jck n TYR 1269Cb 0.35 -2.45 -0.17 0.00 -0.63 0.00 0.00 39.34 36.44 2jck n TYR 1269CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2jck s ILE 1270N 0.46 0.40 0.68 2.97 1.01 -0.70 -4.99 121.20 121.03 2jck s ILE 1270Ca 0.77 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 2jck s ILE 1270Cb -0.74 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 40.92 2jck s ILE 1270CO 0.44 -0.07 1.12 -2.16 0.00 0.00 0.00 174.94 174.27 2jck s PRO 1271N 1.93 2.63 0.56 2.79 0.04 -1.26 -4.61 135.00 137.08 2jck s PRO 1271Ca 0.01 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.28 2jck s PRO 1271Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2jck s PRO 1271CO -0.07 -1.39 1.30 -0.06 0.04 0.00 0.00 177.00 176.82 2jck s PHE 1272N -2.32 2.34 0.00 0.56 0.40 -1.26 -2.38 117.98 115.32 2jck s PHE 1272Ca 0.68 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 58.44 2jck s PHE 1272Cb -0.22 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.63 2jck s PHE 1272CO 0.43 -2.63 0.00 0.41 0.70 0.00 0.00 175.22 174.13 2jck n GLY 1273N 0.69 0.71 3.39 4.36 0.00 -1.26 -5.05 105.19 108.02 2jck n GLY 1273Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2jck n GLY 1273CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jck s GLU 1274N -0.74 1.45 0.00 1.61 2.02 -1.00 -5.09 118.70 116.95 2jck s GLU 1274Ca 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.28 2jck s GLU 1274Cb 0.00 -1.06 0.00 0.00 0.10 0.00 0.00 34.13 33.17 2jck s GLU 1274CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2jck n GLY 1275N -0.49 3.15 0.35 -1.39 0.00 -1.26 -4.81 105.19 100.72 2jck n GLY 1275Ca -0.06 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 2jck n GLY 1275CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jck n ASP 1276N 0.00 1.59 -3.96 1.61 8.00 -1.26 -4.90 116.55 117.63 2jck n ASP 1276Ca 0.00 0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.64 2jck n ASP 1276Cb 0.00 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.40 2jck n ASP 1276CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jck s PHE 1277N -2.53 1.00 -0.35 1.24 0.40 -1.26 -4.90 117.98 111.59 2jck s PHE 1277Ca -0.25 -1.23 -0.06 0.00 -0.60 0.00 0.00 56.93 54.79 2jck s PHE 1277Cb 0.07 -0.33 0.05 0.00 0.51 0.00 0.00 43.02 43.32 2jck s PHE 1277CO 0.34 -0.81 0.11 -0.47 0.70 0.00 0.00 175.22 175.10 2jck s TYR 1278N -3.93 3.28 0.24 0.36 6.14 -1.26 -5.05 117.35 117.12 2jck s TYR 1278Ca 0.34 -1.50 -0.14 0.00 0.64 0.00 0.00 57.07 56.41 2jck s TYR 1278Cb 0.04 -2.36 -0.08 0.00 0.42 0.00 0.00 41.96 39.98 2jck s TYR 1278CO 0.14 -0.75 0.63 0.71 0.64 0.00 0.00 175.55 176.91 2jck s TYR 1279N 1.38 3.49 -0.19 4.97 1.51 -1.26 -1.76 117.35 125.48 2jck s TYR 1279Ca -0.01 1.10 -0.14 0.00 -1.01 0.00 0.00 57.07 57.00 2jck s TYR 1279Cb -0.20 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 2jck s TYR 1279CO 0.02 0.27 0.32 -1.58 -1.11 0.00 0.00 175.55 173.47 2jck s HIS 1280N -1.74 3.39 -2.00 2.71 2.46 0.80 -4.73 115.29 116.18 2jck s HIS 1280Ca 0.46 0.54 0.27 0.00 0.47 0.00 0.00 55.06 56.81 2jck s HIS 1280Cb -0.13 -2.42 1.62 0.00 -0.13 0.00 0.00 32.58 31.52 2jck s HIS 1280CO 0.20 0.08 1.97 0.00 -2.47 0.00 0.00 174.74 174.52 2jck n ALA 1281N 4.15 2.52 0.28 1.58 0.00 -1.26 -3.11 120.51 124.67 2jck n ALA 1281Ca -0.11 -0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.32 2jck n ALA 1281Cb 0.51 -1.44 0.55 0.00 0.00 0.00 0.00 19.45 19.08 2jck n ALA 1281CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jck h ALA 1282N 3.70 1.00 -2.61 0.00 0.00 -1.92 -3.44 119.26 116.00 2jck h ALA 1282Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2jck h ALA 1282Cb 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.52 2jck h ALA 1282CO 0.00 0.00 -0.30 0.42 0.00 0.00 0.00 179.25 179.37 2jck s ILE 1283N -3.53 -0.11 0.06 0.00 1.01 -1.18 -0.91 121.20 116.54 2jck s ILE 1283Ca 0.03 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 2jck s ILE 1283Cb 0.08 -0.63 0.08 0.00 0.01 0.00 0.00 42.46 42.00 2jck s ILE 1283CO 0.56 0.04 0.70 0.72 0.00 0.00 0.00 174.94 176.97 2jck s PHE 1284N 1.57 -0.51 0.00 3.97 -0.12 -0.99 -3.63 117.98 118.26 2jck s PHE 1284Ca -0.09 0.48 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 2jck s PHE 1284Cb -0.09 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 2jck s PHE 1284CO -0.13 -0.71 0.00 0.41 -0.05 0.00 0.00 175.22 174.74 2jck n GLY 1285N -0.03 1.26 0.00 1.99 0.00 -0.51 -0.02 105.19 107.88 2jck n GLY 1285Ca -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2jck n GLY 1285CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jck n GLY 1286N 0.00 0.76 3.82 -0.02 0.00 -0.02 -0.06 105.19 109.67 2jck n GLY 1286Ca 0.00 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2jck n GLY 1286CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jck s THR 1287N -3.44 4.01 0.28 2.61 -4.23 -0.37 0.16 115.64 114.67 2jck s THR 1287Ca 0.00 0.83 0.02 0.00 -1.18 0.00 0.00 61.69 61.36 2jck s THR 1287Cb 0.00 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.66 2jck s THR 1287CO 0.00 -0.68 1.77 -0.65 -0.54 0.00 0.00 174.62 174.52 2jck h PRO 1288N 0.07 0.68 -0.54 3.99 0.11 -1.87 -0.60 132.00 133.84 2jck h PRO 1288Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2jck h PRO 1288Cb 1.21 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2jck h PRO 1288CO 0.58 0.45 0.30 1.15 -0.21 0.00 0.00 178.00 180.26 2jck h THR 1289N 0.70 1.18 -0.26 -1.15 2.02 -1.94 0.00 112.91 113.46 2jck h THR 1289Ca 0.51 -0.46 -0.18 0.00 0.77 0.00 0.00 66.41 67.05 2jck h THR 1289Cb 0.75 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2jck h THR 1289CO -0.37 0.19 -0.56 1.56 0.37 0.00 0.00 175.52 176.71 2jck h GLN 1290N 0.72 0.80 -0.01 6.66 1.08 -1.63 -2.58 115.11 120.15 2jck h GLN 1290Ca 0.19 -0.51 -0.09 0.00 -1.45 0.00 0.00 58.65 56.78 2jck h GLN 1290Cb 0.05 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2jck h GLN 1290CO -0.03 1.14 -0.44 0.28 -0.95 0.00 0.00 178.83 178.84 2jck h VAL 1291N 0.61 1.31 -0.41 -0.54 2.07 -1.01 -0.57 116.25 117.72 2jck h VAL 1291Ca 0.01 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.98 2jck h VAL 1291Cb 1.16 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2jck h VAL 1291CO 0.12 0.43 0.06 0.25 0.02 0.00 0.00 177.57 178.45 2jck h LEU 1292N 0.01 0.65 -0.45 2.57 5.85 -0.87 -0.92 115.31 122.17 2jck h LEU 1292Ca -0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2jck h LEU 1292Cb 0.78 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2jck h LEU 1292CO 0.06 0.75 0.12 -1.13 -0.34 0.00 0.00 178.44 177.90 2jck h ASN 1293N 0.53 0.66 -0.10 1.25 -1.24 -1.04 0.99 115.58 116.64 2jck h ASN 1293Ca 0.12 -0.22 0.03 0.00 0.71 0.00 0.00 56.30 56.94 2jck h ASN 1293Cb 0.38 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 2jck h ASN 1293CO 0.01 0.71 -0.06 0.40 -1.29 0.00 0.00 177.43 177.20 2jck h ILE 1294N 0.59 0.82 -0.39 2.57 2.04 -0.93 -0.80 117.51 121.41 2jck h ILE 1294Ca 0.14 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.85 2jck h ILE 1294Cb 0.30 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jck h ILE 1294CO -0.00 0.00 -0.35 0.71 0.00 0.00 0.00 178.15 178.51 2jck h THR 1295N -0.05 1.27 -0.47 -0.27 1.35 -1.02 -1.37 112.91 112.35 2jck h THR 1295Ca 0.06 -1.52 -0.04 0.00 -0.55 0.00 0.00 66.41 64.36 2jck h THR 1295Cb 0.14 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 2jck h THR 1295CO -0.13 0.51 0.14 1.56 -0.25 0.00 0.00 175.52 177.35 2jck h GLN 1296N 0.75 0.73 -0.22 4.72 4.20 -0.67 -0.44 115.11 124.17 2jck h GLN 1296Ca 0.07 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2jck h GLN 1296Cb 0.93 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 2jck h GLN 1296CO 0.09 0.70 -0.17 0.93 -0.67 0.00 0.00 178.83 179.71 2jck h GLU 1297N 0.62 0.51 -1.01 1.46 4.39 -1.13 -1.19 114.58 118.22 2jck h GLU 1297Ca 0.15 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2jck h GLU 1297Cb 0.28 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 2jck h GLU 1297CO -0.00 0.81 0.66 0.00 -1.16 0.00 0.00 179.01 179.32 2jck h PHE 1299N 1.36 0.30 -0.51 0.00 3.57 -0.99 -1.22 116.94 119.45 2jck h PHE 1299Ca 0.37 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 2jck h PHE 1299Cb -0.16 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2jck h PHE 1299CO -0.00 0.77 0.31 0.87 -2.23 0.00 0.00 178.31 178.03 2jck h LYS 1300N 0.18 0.69 -0.67 1.11 1.57 -0.63 0.43 116.57 119.25 2jck h LYS 1300Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2jck h LYS 1300Cb 1.10 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 2jck h LYS 1300CO 0.09 0.50 0.43 0.78 -0.57 0.00 0.00 179.45 180.69 2jck h GLY 1301N 0.69 0.95 0.99 3.86 0.00 -1.01 0.61 103.07 109.15 2jck h GLY 1301Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2jck h GLY 1301CO -0.03 0.36 0.30 -2.22 0.00 0.00 0.00 176.54 174.95 2jck h ILE 1302N 0.91 1.17 -0.52 2.60 2.04 -0.69 -1.60 117.51 121.42 2jck h ILE 1302Ca 0.24 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2jck h ILE 1302Cb -0.08 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2jck h ILE 1302CO -0.05 0.18 -0.00 -0.07 0.00 0.00 0.00 178.15 178.21 2jck h LEU 1303N 0.71 0.90 -0.33 1.44 3.38 -0.24 -2.29 115.31 118.87 2jck h LEU 1303Ca 0.19 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jck h LEU 1303Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2jck h LEU 1303CO -0.03 0.99 0.17 0.50 0.09 0.00 0.00 178.44 180.16 2jck h LYS 1304N 0.78 0.35 -0.80 1.13 3.64 -0.61 -1.28 116.57 119.77 2jck h LYS 1304Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2jck h LYS 1304Cb 0.53 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 2jck h LYS 1304CO 0.03 0.23 0.51 -0.44 -2.27 0.00 0.00 179.45 177.51 2jck h ASP 1305N 0.36 0.94 -0.36 4.20 3.45 -1.22 -1.35 116.42 122.44 2jck h ASP 1305Ca 0.14 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 2jck h ASP 1305Cb 0.04 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 2jck h ASP 1305CO -0.09 0.70 0.01 0.11 -1.57 0.00 0.00 179.24 178.40 2jck h LYS 1306N 1.10 0.73 0.00 3.56 1.57 -0.74 0.11 116.57 122.90 2jck h LYS 1306Ca 0.29 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2jck h LYS 1306Cb -0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 2jck h LYS 1306CO -0.06 0.74 -0.11 0.87 -0.57 0.00 0.00 179.45 180.31 2jck h LYS 1307N 0.69 0.00 -0.63 3.15 1.79 -0.23 -2.94 116.57 118.40 2jck h LYS 1307Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2jck h LYS 1307Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2jck h LYS 1307CO 0.02 0.11 0.00 0.09 -1.08 0.00 0.00 179.45 178.59 2jck n ASN 1308N -3.23 5.13 -3.80 0.86 3.02 -0.08 -4.95 115.26 112.21 2jck n ASN 1308Ca 0.01 -2.67 -0.26 0.00 -0.03 0.00 0.00 54.58 51.63 2jck n ASN 1308Cb 0.40 -0.63 0.01 0.00 -0.61 0.00 0.00 39.78 38.95 2jck n ASN 1308CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jck n ASP 1309N 0.86 -1.95 -3.71 6.41 2.03 -0.58 -4.99 116.55 114.62 2jck n ASP 1309Ca 0.26 -0.96 -0.13 0.00 0.52 0.00 0.00 54.79 54.48 2jck n ASP 1309Cb 1.02 -3.43 -0.07 0.00 -0.72 0.00 0.00 41.12 37.92 2jck n ASP 1309CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2jck s ILE 1310N -3.75 0.06 -0.05 5.18 2.07 -0.62 -5.04 121.20 119.05 2jck s ILE 1310Ca 0.13 -0.49 -0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2jck s ILE 1310Cb -0.05 -0.82 0.03 0.00 0.13 0.00 0.00 42.46 41.75 2jck s ILE 1310CO 0.86 -0.27 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.91 2jck s GLU 1311N -1.93 0.55 0.34 3.50 2.12 -1.26 -3.71 118.70 118.30 2jck s GLU 1311Ca -0.09 0.04 -0.27 0.00 0.36 0.00 0.00 54.97 55.01 2jck s GLU 1311Cb -0.02 -0.75 -0.13 0.00 0.26 0.00 0.00 34.13 33.48 2jck s GLU 1311CO 0.01 -0.18 0.99 0.00 -0.54 0.00 0.00 175.26 175.54 2jck n ALA 1312N 4.48 -0.14 -0.20 6.30 0.00 -1.26 -4.87 120.51 124.82 2jck n ALA 1312Ca -0.19 0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 2jck n ALA 1312Cb 0.50 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 17.98 2jck n ALA 1312CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2jck h GLN 1313N 1.81 -0.02 -1.02 0.00 4.15 -1.94 -2.24 115.11 115.85 2jck h GLN 1313Ca -0.41 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.42 2jck h GLN 1313Cb 1.34 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.64 2jck h GLN 1313CO 0.59 -0.01 -0.43 0.91 -1.93 0.00 0.00 178.83 177.95 2jck n TRP 1314N -5.42 2.98 0.00 3.99 7.02 -1.26 -5.05 117.44 119.70 2jck n TRP 1314Ca 0.07 -2.54 0.00 0.00 -1.02 0.00 0.00 57.50 54.01 2jck n TRP 1314Cb 0.32 -0.50 0.00 0.00 -2.42 0.00 0.00 31.31 28.71 2jck n TRP 1314CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jck n HIS 1315N -0.68 0.00 0.16 -5.99 8.25 -0.85 -1.11 115.22 115.01 2jck n HIS 1315Ca 0.46 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 58.09 2jck n HIS 1315Cb 0.82 0.00 0.77 0.00 1.12 0.00 0.00 29.99 32.69 2jck n HIS 1315CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2jck h ASP 1316N 0.00 0.00 0.07 0.41 2.03 -1.91 -1.01 116.42 116.02 2jck h ASP 1316Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 2jck h ASP 1316Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2jck h ASP 1316CO 0.00 0.00 -0.56 -0.08 -1.03 0.00 0.00 179.24 177.57 2jck h GLU 1317N 0.00 0.51 -0.43 4.15 4.81 -1.51 0.13 114.58 122.24 2jck h GLU 1317Ca 0.11 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 2jck h GLU 1317Cb 0.55 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2jck h GLU 1317CO -0.00 0.93 0.04 0.77 -0.73 0.00 0.00 179.01 180.02 2jck h SER 1318N 0.39 0.72 -0.42 1.04 0.02 -0.70 -0.95 113.55 113.64 2jck h SER 1318Ca 0.01 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 2jck h SER 1318Cb 1.10 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2jck h SER 1318CO 0.10 0.82 0.02 0.45 -1.14 0.00 0.00 176.83 177.09 2jck h HIS 1319N 0.59 0.79 -0.88 3.45 3.86 -1.31 -2.01 115.15 119.64 2jck h HIS 1319Ca 0.13 -0.13 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2jck h HIS 1319Cb 0.43 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 2jck h HIS 1319CO 0.03 0.78 0.56 1.25 0.86 0.00 0.00 177.93 181.42 2jck h LEU 1320N 0.57 0.91 -1.05 2.43 5.85 -0.55 0.77 115.31 124.25 2jck h LEU 1320Ca 0.12 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2jck h LEU 1320Cb 0.45 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2jck h LEU 1320CO 0.02 0.61 -0.22 0.78 -0.34 0.00 0.00 178.44 179.29 2jck h ASN 1321N 1.06 0.41 -0.44 1.25 2.35 -0.92 -1.23 115.58 118.06 2jck h ASN 1321Ca 0.37 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.85 2jck h ASN 1321Cb 0.08 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2jck h ASN 1321CO -0.14 0.64 -0.28 0.50 -1.65 0.00 0.00 177.43 176.50 2jck h LYS 1322N 0.38 0.97 0.12 0.81 1.63 -0.47 -2.33 116.57 117.67 2jck h LYS 1322Ca 0.06 -0.45 -0.01 0.00 -0.85 0.00 0.00 60.65 59.41 2jck h LYS 1322Cb 0.60 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2jck h LYS 1322CO 0.04 1.12 -0.06 -0.92 -3.45 0.00 0.00 179.45 176.18 2jck h TYR 1323N 0.81 -0.14 0.00 1.91 5.03 -0.48 -2.64 116.97 121.45 2jck h TYR 1323Ca 0.09 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2jck h TYR 1323Cb 0.86 0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.19 2jck h TYR 1323CO 0.06 0.04 0.00 0.74 -1.32 0.00 0.00 178.16 177.67 2jck h PHE 1324N -0.30 0.00 -0.02 -3.82 0.05 -1.23 0.40 116.94 112.02 2jck h PHE 1324Ca -0.02 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.64 2jck h PHE 1324Cb 0.24 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.20 2jck h PHE 1324CO -0.02 0.00 -0.52 1.25 -0.18 0.00 0.00 178.31 178.83 2jck h LEU 1325N 0.00 0.49 -0.16 1.54 5.85 -1.11 -3.12 115.31 118.80 2jck h LEU 1325Ca 0.00 -0.74 -0.20 0.00 0.84 0.00 0.00 57.88 57.78 2jck h LEU 1325Cb 0.22 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2jck h LEU 1325CO 0.00 1.16 -0.94 -0.07 -0.34 0.00 0.00 178.44 178.26 2jck h LEU 1326N -0.13 0.06 -6.91 2.25 3.38 -0.97 -3.39 115.31 109.60 2jck h LEU 1326Ca -0.06 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.24 2jck h LEU 1326Cb 1.23 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 41.55 2jck h LEU 1326CO 0.10 0.96 -0.72 0.20 0.09 0.00 0.00 178.44 179.07 2jck s ASN 1327N -6.79 3.62 0.12 -0.43 0.01 0.13 -5.10 114.94 106.50 2jck s ASN 1327Ca -0.00 -3.19 -0.35 0.00 -0.71 0.00 0.00 52.86 48.61 2jck s ASN 1327Cb 0.10 -1.16 -0.16 0.00 0.41 0.00 0.00 41.25 40.44 2jck s ASN 1327CO 0.82 -0.18 1.34 0.29 -1.51 0.00 0.00 177.10 177.86 2jck n LYS 1328N 2.80 1.34 -2.18 -0.60 4.76 -1.18 -4.31 118.16 118.79 2jck n LYS 1328Ca 0.17 0.48 -0.35 0.00 -2.87 0.00 0.00 58.31 55.74 2jck n LYS 1328Cb 0.37 -2.11 0.01 0.00 -1.84 0.00 0.00 35.03 31.46 2jck n LYS 1328CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jck s PRO 1329N 0.34 3.24 0.09 1.97 0.04 -1.26 -4.92 135.00 134.49 2jck s PRO 1329Ca 0.81 1.68 0.26 0.00 0.04 0.00 0.00 61.00 63.79 2jck s PRO 1329Cb -0.88 -1.99 0.76 0.00 0.04 0.00 0.00 34.50 32.43 2jck s PRO 1329CO 0.47 -0.95 1.64 0.25 0.04 0.00 0.00 177.00 178.44 2jck n THR 1330N -1.38 0.25 -3.71 1.26 -2.24 -0.04 -4.76 114.28 103.66 2jck n THR 1330Ca 0.12 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 2jck n THR 1330Cb 0.50 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.36 2jck n THR 1330CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2jck s LYS 1331N -3.07 0.60 -0.02 -0.78 2.20 -0.91 -3.97 119.74 113.80 2jck s LYS 1331Ca 0.11 0.41 0.05 0.00 -0.36 0.00 0.00 55.97 56.18 2jck s LYS 1331Cb 0.16 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2jck s LYS 1331CO 0.63 -0.11 -0.18 0.42 -0.36 0.00 0.00 175.35 175.75 2jck s ILE 1332N -0.23 1.43 -0.15 5.43 1.01 -0.60 -1.62 121.20 126.48 2jck s ILE 1332Ca -0.04 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 2jck s ILE 1332Cb -0.03 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2jck s ILE 1332CO 0.02 0.41 0.12 -0.76 0.00 0.00 0.00 174.94 174.73 2jck s LEU 1333N -0.33 4.21 1.01 2.97 1.43 0.13 -0.90 118.68 127.20 2jck s LEU 1333Ca 0.05 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 2jck s LEU 1333Cb -0.08 -2.05 0.20 0.00 0.03 0.00 0.00 46.19 44.29 2jck s LEU 1333CO -0.00 0.30 1.08 -0.94 0.23 0.00 0.00 176.35 177.02 2jck s SER 1334N -0.38 2.31 0.00 2.29 1.04 -0.80 -1.63 113.70 116.52 2jck s SER 1334Ca 0.11 1.60 0.05 0.00 0.48 0.00 0.00 55.95 58.19 2jck s SER 1334Cb -0.12 -2.26 0.23 0.00 0.10 0.00 0.00 66.02 63.98 2jck s SER 1334CO 0.01 -3.39 1.10 -2.65 0.98 0.00 0.00 173.24 169.29 2jck n PRO 1335N -4.38 0.03 0.25 4.02 -0.02 -1.26 -1.76 135.00 131.89 2jck n PRO 1335Ca 0.06 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2jck n PRO 1335Cb 0.54 -1.50 0.64 0.00 -0.02 0.00 0.00 33.50 33.17 2jck n PRO 1335CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2jck h GLU 1336N 0.00 0.00 -0.02 -0.52 5.08 -1.89 -2.38 114.58 114.85 2jck h GLU 1336Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jck h GLU 1336Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2jck h GLU 1336CO 0.00 0.13 0.00 0.66 -1.00 0.00 0.00 179.01 178.80 2jck n TYR 1337N -3.38 0.02 -2.71 4.33 4.02 -0.72 -0.29 117.16 118.43 2jck n TYR 1337Ca -0.01 -0.01 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 2jck n TYR 1337Cb 0.32 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.69 2jck n TYR 1337CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jck s TRP 1339N 0.50 3.64 -0.47 0.00 -0.11 0.76 -4.40 118.94 118.86 2jck s TRP 1339Ca 0.29 0.79 -0.12 0.00 1.22 0.00 0.00 56.10 58.27 2jck s TRP 1339Cb 0.19 -2.15 0.10 0.00 -1.50 0.00 0.00 33.47 30.11 2jck s TRP 1339CO -0.15 0.61 0.37 0.34 -4.62 0.00 0.00 176.95 173.50 2jck s ASP 1340N -1.39 5.91 0.50 5.86 2.15 -1.26 -1.15 116.67 127.30 2jck s ASP 1340Ca 0.26 -1.59 0.33 0.00 0.43 0.00 0.00 52.55 51.98 2jck s ASP 1340Cb -0.15 -2.10 1.80 0.00 -0.30 0.00 0.00 42.92 42.18 2jck s ASP 1340CO 0.14 -0.67 2.01 1.88 -0.17 0.00 0.00 175.17 178.37 2jck h TYR 1341N 8.62 0.00 0.00 -5.34 0.99 -1.89 -1.24 116.97 118.11 2jck h TYR 1341Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 2jck h TYR 1341Cb 1.09 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.82 2jck h TYR 1341CO 0.65 0.00 0.00 0.72 -0.00 0.00 0.00 178.16 179.53 2jck n HIS 1342N -2.68 0.00 0.38 4.88 8.25 -1.26 -0.60 115.22 124.19 2jck n HIS 1342Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 2jck n HIS 1342Cb 0.07 -0.44 0.08 0.00 1.12 0.00 0.00 29.99 30.81 2jck n HIS 1342CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2jck h ILE 1343N 0.00 0.00 0.00 1.59 2.04 -1.65 -3.50 117.51 115.99 2jck h ILE 1343Ca 0.00 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2jck h ILE 1343Cb 0.19 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2jck h ILE 1343CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2jck n GLY 1344N 1.28 -0.60 2.52 5.37 0.00 0.23 -4.82 105.19 109.17 2jck n GLY 1344Ca 0.02 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 2jck n GLY 1344CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jck s LEU 1345N 0.00 0.76 1.00 0.99 2.96 -1.26 -4.59 118.68 118.54 2jck s LEU 1345Ca 0.00 -2.29 -0.12 0.00 -0.22 0.00 0.00 54.13 51.49 2jck s LEU 1345Cb 0.00 -0.09 0.19 0.00 0.50 0.00 0.00 46.19 46.79 2jck s LEU 1345CO 0.00 -0.25 1.09 -2.16 -1.32 0.00 0.00 176.35 173.72 2jck s PRO 1346N 0.85 0.38 0.36 0.98 0.04 -1.26 -4.91 135.00 131.43 2jck s PRO 1346Ca 0.23 0.52 0.11 0.00 0.04 0.00 0.00 61.00 61.89 2jck s PRO 1346Cb -0.13 -1.73 0.87 0.00 0.04 0.00 0.00 34.50 33.55 2jck s PRO 1346CO -0.06 -2.77 1.84 0.00 0.04 0.00 0.00 177.00 176.05 2jck h ALA 1347N -1.92 1.90 0.00 8.56 0.00 -2.03 -2.15 119.26 123.62 2jck h ALA 1347Ca -0.55 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2jck h ALA 1347Cb 1.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jck h ALA 1347CO 0.57 -0.18 -0.08 -0.44 0.00 0.00 0.00 179.25 179.12 2jck h ASP 1348N 0.64 0.00 -3.23 0.00 3.32 -1.99 -3.37 116.42 111.79 2jck h ASP 1348Ca 0.49 0.00 -0.75 0.00 0.02 0.00 0.00 57.03 56.79 2jck h ASP 1348Cb 0.89 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.22 2jck h ASP 1348CO -0.24 0.08 0.36 -0.63 -1.72 0.00 0.00 179.24 177.09 2jck s ILE 1349N -4.06 5.23 0.00 0.35 -1.09 -0.81 -4.88 121.20 115.94 2jck s ILE 1349Ca -0.02 -2.02 -0.19 0.00 -2.23 0.00 0.00 60.65 56.18 2jck s ILE 1349Cb 0.12 -4.58 -0.26 0.00 -1.58 0.00 0.00 42.46 36.16 2jck s ILE 1349CO 0.55 -1.21 1.06 0.11 -1.23 0.00 0.00 174.94 174.22 2jck h LYS 1350N 8.28 0.44 -2.12 2.79 1.79 -1.83 -3.45 116.57 122.47 2jck h LYS 1350Ca 0.09 -0.54 -0.22 0.00 -2.18 0.00 0.00 60.65 57.80 2jck h LYS 1350Cb 1.04 0.17 -0.32 0.00 -1.58 0.00 0.00 32.23 31.54 2jck h LYS 1350CO 0.91 1.20 -0.54 -1.17 -1.08 0.00 0.00 179.45 178.76 2jck s LEU 1351N -8.14 -0.43 -0.00 2.94 2.96 -1.26 -5.13 118.68 109.61 2jck s LEU 1351Ca -0.12 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 2jck s LEU 1351Cb 0.03 0.82 -0.04 0.00 0.50 0.00 0.00 46.19 47.50 2jck s LEU 1351CO 0.85 -0.32 1.22 -0.69 -1.32 0.00 0.00 176.35 176.09 2jck s VAL 1352N 2.46 4.12 -0.13 1.68 1.01 -1.26 -4.79 120.40 123.48 2jck s VAL 1352Ca 0.10 1.48 0.20 0.00 0.00 0.00 0.00 61.98 63.77 2jck s VAL 1352Cb -0.15 -3.95 -0.19 0.00 0.00 0.00 0.00 36.38 32.09 2jck s VAL 1352CO -0.17 0.04 0.66 0.29 0.00 0.00 0.00 175.10 175.92 2jck n LYS 1353N 4.73 0.64 -3.60 2.72 4.01 0.60 -3.54 118.16 123.73 2jck n LYS 1353Ca 0.10 0.02 -0.15 0.00 -0.51 0.00 0.00 58.31 57.77 2jck n LYS 1353Cb 0.46 -1.67 -0.07 0.00 -0.51 0.00 0.00 35.03 33.24 2jck n LYS 1353CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2jck s MET 1354N -3.19 0.91 0.13 1.97 -2.45 -1.22 -0.19 119.30 115.25 2jck s MET 1354Ca -0.05 0.73 0.06 0.00 -1.25 0.00 0.00 55.69 55.18 2jck s MET 1354Cb 0.10 0.44 -0.04 0.00 1.25 0.00 0.00 34.83 36.58 2jck s MET 1354CO 0.84 -0.18 -0.15 -1.54 1.05 0.00 0.00 175.02 175.05 2jck s SER 1355N -0.17 2.11 0.81 1.11 1.04 -0.49 -0.17 113.70 117.94 2jck s SER 1355Ca -0.04 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 2jck s SER 1355Cb -0.03 -0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.08 2jck s SER 1355CO 0.04 -0.13 1.09 0.26 0.98 0.00 0.00 173.24 175.48 2jck s TRP 1356N -2.13 2.55 -0.18 5.02 0.52 -0.30 -1.02 118.94 123.40 2jck s TRP 1356Ca 0.10 1.43 0.08 0.00 0.02 0.00 0.00 56.10 57.73 2jck s TRP 1356Cb -0.05 -3.07 -0.22 0.00 -1.15 0.00 0.00 33.47 28.97 2jck s TRP 1356CO 0.04 -1.94 0.14 1.04 0.02 0.00 0.00 176.95 176.24 2jck n GLN 1357N -3.61 0.68 -4.08 4.98 1.13 -0.66 -4.74 117.38 111.08 2jck n GLN 1357Ca 0.08 0.14 -0.34 0.00 -1.94 0.00 0.00 57.00 54.94 2jck n GLN 1357Cb 0.54 -1.60 -0.07 0.00 0.11 0.00 0.00 30.24 29.21 2jck n GLN 1357CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2jck s THR 1358N -2.53 4.90 -0.28 5.09 -4.23 -1.26 -5.06 115.64 112.26 2jck s THR 1358Ca -0.19 -0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 2jck s THR 1358Cb 0.07 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 2jck s THR 1358CO 0.75 0.45 0.71 -0.75 -0.54 0.00 0.00 174.62 175.24 2jck s LYS 1359N -1.46 4.01 0.00 3.99 2.20 -1.26 -4.99 119.74 122.23 2jck s LYS 1359Ca 0.20 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2jck s LYS 1359Cb -0.12 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2jck s LYS 1359CO 0.10 -0.56 0.49 -0.85 -0.36 0.00 0.00 175.35 174.18