#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qg3 s GLY 1128N 0.00 1.69 0.05 -3.96 0.00 -0.81 -4.17 107.32 100.12 1qg3 s GLY 1128Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.47 1qg3 s GLY 1128CO 0.00 -0.27 0.47 0.00 0.00 0.00 0.00 173.10 173.30 1qg3 s ALA 1129N -3.48 3.66 0.37 3.20 0.00 -1.26 -4.47 121.76 119.78 1qg3 s ALA 1129Ca 0.73 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 1qg3 s ALA 1129Cb -0.06 -2.46 -0.10 0.00 0.00 0.00 0.00 23.12 20.49 1qg3 s ALA 1129CO 0.54 0.47 1.43 -2.14 0.00 0.00 0.00 175.76 176.06 1qg3 s PRO 1130N -1.30 4.13 0.43 0.00 0.02 -1.26 -4.63 135.00 132.39 1qg3 s PRO 1130Ca 0.28 2.45 0.07 0.00 0.02 0.00 0.00 61.00 63.83 1qg3 s PRO 1130Cb -0.17 -2.96 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 1qg3 s PRO 1130CO 0.16 -0.47 0.29 -0.65 -0.33 0.00 0.00 177.00 176.00 1qg3 s GLN 1131N -2.06 2.36 -1.37 5.54 -1.52 -1.17 -4.43 119.66 117.01 1qg3 s GLN 1131Ca 0.53 -1.74 -0.00 0.00 -1.95 0.00 0.00 55.36 52.19 1qg3 s GLN 1131Cb -0.44 -2.16 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 1qg3 s GLN 1131CO 0.60 -0.22 0.53 -1.71 -0.25 0.00 0.00 175.29 174.24 1qg3 n ASN 1132N -1.44 -0.67 -4.79 5.90 5.15 -1.26 -1.27 115.26 116.88 1qg3 n ASN 1132Ca 0.01 -0.93 -0.36 0.00 -0.60 0.00 0.00 54.58 52.69 1qg3 n ASN 1132Cb 0.63 -3.44 -0.04 0.00 -0.53 0.00 0.00 39.78 36.41 1qg3 n ASN 1132CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qg3 s PRO 1133N -6.34 4.04 -0.26 1.20 0.04 -1.26 -4.42 135.00 128.00 1qg3 s PRO 1133Ca 0.01 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.35 1qg3 s PRO 1133Cb -0.01 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.19 1qg3 s PRO 1133CO 0.86 -0.24 0.66 0.54 0.04 0.00 0.00 177.00 178.86 1qg3 s ASN 1134N -1.66 -0.79 0.10 6.66 2.20 -0.67 -4.94 114.94 115.84 1qg3 s ASN 1134Ca 0.61 1.39 0.06 0.00 -0.94 0.00 0.00 52.86 53.98 1qg3 s ASN 1134Cb -0.21 1.33 -0.04 0.00 -2.00 0.00 0.00 41.25 40.34 1qg3 s ASN 1134CO 0.26 -0.23 -0.07 0.00 -2.94 0.00 0.00 177.10 174.12 1qg3 s ALA 1135N 0.97 3.07 -0.13 3.54 0.00 -1.26 -2.27 121.76 125.68 1qg3 s ALA 1135Ca -0.05 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 1qg3 s ALA 1135Cb -0.05 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.13 1qg3 s ALA 1135CO -0.09 0.66 0.30 0.21 0.00 0.00 0.00 175.76 176.84 1qg3 s LYS 1136N -2.26 0.28 0.22 0.00 2.47 -0.57 -4.90 119.74 114.97 1qg3 s LYS 1136Ca 0.23 0.61 -0.32 0.00 -1.56 0.00 0.00 55.97 54.93 1qg3 s LYS 1136Cb -0.11 -0.07 -0.12 0.00 -1.46 0.00 0.00 37.83 36.07 1qg3 s LYS 1136CO 0.15 -0.15 1.71 0.00 0.16 0.00 0.00 175.35 177.22 1qg3 n ALA 1137N 4.16 2.83 -3.63 3.13 0.00 -1.26 -0.44 120.51 125.30 1qg3 n ALA 1137Ca -0.24 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1qg3 n ALA 1137Cb 0.54 -2.52 -0.15 0.00 0.00 0.00 0.00 19.45 17.32 1qg3 n ALA 1137CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qg3 s ALA 1138N 1.04 1.19 0.00 0.00 0.00 -0.42 -4.80 121.76 118.78 1qg3 s ALA 1138Ca 0.74 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1qg3 s ALA 1138Cb -0.50 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1qg3 s ALA 1138CO 0.34 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1qg3 n GLY 1139N 4.81 -1.84 3.70 0.00 0.00 -1.26 -4.27 105.19 106.32 1qg3 n GLY 1139Ca -0.01 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1qg3 n GLY 1139CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qg3 s SER 1140N -4.00 7.28 -1.42 1.61 0.15 -1.26 -3.89 113.70 112.16 1qg3 s SER 1140Ca 0.00 1.56 -0.10 0.00 0.70 0.00 0.00 55.95 58.10 1qg3 s SER 1140Cb 0.00 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.83 1qg3 s SER 1140CO 0.00 -0.34 0.66 0.54 1.20 0.00 0.00 173.24 175.30 1qg3 n ARG 1141N 4.43 -4.20 -3.94 5.44 1.74 -1.26 -4.88 116.66 114.00 1qg3 n ARG 1141Ca 0.07 0.57 -0.09 0.00 -0.77 0.00 0.00 57.85 57.62 1qg3 n ARG 1141Cb 0.50 -5.35 -0.09 0.00 -1.02 0.00 0.00 32.46 26.49 1qg3 n ARG 1141CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1qg3 s LYS 1142N -6.19 0.56 -0.03 5.56 1.02 -1.25 -2.42 119.74 116.99 1qg3 s LYS 1142Ca 0.48 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1qg3 s LYS 1142Cb -0.25 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1qg3 s LYS 1142CO 0.59 -0.14 -0.00 0.42 -0.92 0.00 0.00 175.35 175.31 1qg3 s ILE 1143N -2.50 0.17 -0.33 2.17 1.01 -0.62 -1.30 121.20 119.81 1qg3 s ILE 1143Ca -0.06 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1qg3 s ILE 1143Cb -0.02 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 1qg3 s ILE 1143CO -0.04 0.13 0.51 -2.28 0.00 0.00 0.00 174.94 173.26 1qg3 s HIS 1144N 0.92 3.20 -0.17 3.97 5.65 0.42 -0.84 115.29 128.45 1qg3 s HIS 1144Ca -0.09 0.30 -0.00 0.00 0.25 0.00 0.00 55.06 55.51 1qg3 s HIS 1144Cb -0.13 -2.87 0.00 0.00 -1.18 0.00 0.00 32.58 28.41 1qg3 s HIS 1144CO -0.02 -0.47 -0.15 0.12 -0.65 0.00 0.00 174.74 173.58 1qg3 s PHE 1145N 2.37 2.80 0.22 3.88 5.36 -0.63 -1.52 117.98 130.46 1qg3 s PHE 1145Ca 0.19 -1.16 0.01 0.00 -0.96 0.00 0.00 56.93 55.01 1qg3 s PHE 1145Cb -0.15 -1.92 -0.05 0.00 -0.34 0.00 0.00 43.02 40.55 1qg3 s PHE 1145CO 0.12 -0.56 0.06 0.54 -1.46 0.00 0.00 175.22 173.93 1qg3 s ASN 1146N 1.01 1.14 0.32 6.13 2.20 -0.96 -1.08 114.94 123.70 1qg3 s ASN 1146Ca -0.02 -1.31 -0.18 0.00 -0.94 0.00 0.00 52.86 50.41 1qg3 s ASN 1146Cb -0.15 0.16 0.05 0.00 -2.00 0.00 0.00 41.25 39.31 1qg3 s ASN 1146CO -0.03 -0.68 0.82 -1.66 -2.94 0.00 0.00 177.10 172.61 1qg3 s TRP 1147N -3.74 0.03 -0.14 1.54 -2.14 -1.06 -1.67 118.94 111.76 1qg3 s TRP 1147Ca 0.33 -0.60 -0.07 0.00 2.66 0.00 0.00 56.10 58.42 1qg3 s TRP 1147Cb 0.07 0.78 -0.04 0.00 -3.10 0.00 0.00 33.47 31.18 1qg3 s TRP 1147CO 0.10 -1.36 0.13 -0.51 -2.66 0.00 0.00 176.95 172.65 1qg3 s LEU 1148N -3.08 4.31 0.39 -4.66 1.43 -0.40 -4.79 118.68 111.89 1qg3 s LEU 1148Ca 0.15 0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.40 1qg3 s LEU 1148Cb -0.05 -2.06 -0.11 0.00 0.03 0.00 0.00 46.19 44.00 1qg3 s LEU 1148CO 0.09 0.36 1.13 -2.65 0.23 0.00 0.00 176.35 175.51 1qg3 n PRO 1149N 2.32 1.63 -0.77 1.29 -0.02 -1.26 -3.07 135.00 135.12 1qg3 n PRO 1149Ca -0.19 0.58 -0.15 0.00 -2.02 0.00 0.00 63.50 61.72 1qg3 n PRO 1149Cb 0.54 -2.16 0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1qg3 n PRO 1149CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qg3 n PRO 1150N 0.24 -1.23 -2.90 0.52 -0.04 -1.26 -4.70 135.00 125.63 1qg3 n PRO 1150Ca 0.08 -0.96 -0.41 0.00 -0.04 0.00 0.00 63.50 62.17 1qg3 n PRO 1150Cb 0.38 -0.73 -0.04 0.00 -0.04 0.00 0.00 33.50 33.06 1qg3 n PRO 1150CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1qg3 s SER 1151N -3.24 7.21 0.00 3.54 0.01 -1.26 -4.87 113.70 115.09 1qg3 s SER 1151Ca 0.37 1.46 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1qg3 s SER 1151Cb -0.02 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1qg3 s SER 1151CO 0.27 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1qg3 n GLY 1152N 2.78 0.23 3.04 3.44 0.00 -1.26 -1.92 105.19 111.50 1qg3 n GLY 1152Ca 0.01 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 1qg3 n GLY 1152CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qg3 s LYS 1153N 0.00 3.00 0.04 1.61 1.02 -1.26 -5.07 119.74 119.08 1qg3 s LYS 1153Ca 0.00 -3.27 -0.30 0.00 0.02 0.00 0.00 55.97 52.41 1qg3 s LYS 1153Cb 0.00 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1qg3 s LYS 1153CO 0.00 -1.27 1.06 -1.25 -0.92 0.00 0.00 175.35 172.97 1qg3 s PRO 1154N -1.34 4.54 0.11 -1.68 0.04 -1.26 -4.57 135.00 130.83 1qg3 s PRO 1154Ca 0.26 1.55 0.23 0.00 0.04 0.00 0.00 61.00 63.08 1qg3 s PRO 1154Cb -0.07 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1qg3 s PRO 1154CO -0.13 -0.08 1.01 -1.33 0.04 0.00 0.00 177.00 176.51 1qg3 n MET 1155N 3.69 0.45 -3.18 4.56 2.81 0.45 -4.99 117.12 120.90 1qg3 n MET 1155Ca 0.06 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1qg3 n MET 1155Cb 0.49 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1qg3 n MET 1155CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qg3 n GLY 1156N 1.28 -1.32 2.94 3.03 0.00 -1.19 -4.86 105.19 105.08 1qg3 n GLY 1156Ca 0.01 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 1qg3 n GLY 1156CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qg3 s TYR 1157N -2.68 0.18 -0.19 1.61 2.02 0.13 -1.62 117.35 116.80 1qg3 s TYR 1157Ca 0.00 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1qg3 s TYR 1157Cb 0.00 -0.13 -0.01 0.00 -0.40 0.00 0.00 41.96 41.42 1qg3 s TYR 1157CO 0.00 -0.11 -0.09 0.50 -1.57 0.00 0.00 175.55 174.28 1qg3 s ARG 1158N -0.86 3.33 -0.14 -0.62 3.52 -0.20 -0.49 118.95 123.49 1qg3 s ARG 1158Ca -0.09 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.79 1qg3 s ARG 1158Cb -0.06 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 1qg3 s ARG 1158CO -0.01 -0.08 0.04 0.08 -0.81 0.00 0.00 175.30 174.52 1qg3 s VAL 1159N 1.11 4.58 -0.10 7.11 1.01 0.14 -1.78 120.40 132.47 1qg3 s VAL 1159Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1qg3 s VAL 1159Cb -0.14 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 1qg3 s VAL 1159CO -0.02 0.53 -0.23 -0.75 0.00 0.00 0.00 175.10 174.64 1qg3 s LYS 1160N -0.23 3.02 0.02 2.72 2.20 -0.57 -1.11 119.74 125.79 1qg3 s LYS 1160Ca 0.07 -0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 54.74 1qg3 s LYS 1160Cb -0.12 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1qg3 s LYS 1160CO 0.02 0.22 0.17 1.52 -0.36 0.00 0.00 175.35 176.91 1qg3 s TYR 1161N 0.26 0.04 0.15 4.03 1.13 -0.69 -1.88 117.35 120.39 1qg3 s TYR 1161Ca -0.15 -0.18 -0.21 0.00 -1.41 0.00 0.00 57.07 55.12 1qg3 s TYR 1161Cb -0.17 -0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.71 1qg3 s TYR 1161CO 0.08 -0.35 0.54 1.67 -2.51 0.00 0.00 175.55 174.98 1qg3 s TRP 1162N -1.87 -0.41 0.02 -3.49 -2.14 -0.61 0.07 118.94 110.49 1qg3 s TRP 1162Ca -0.11 0.16 -0.30 0.00 2.66 0.00 0.00 56.10 58.51 1qg3 s TRP 1162Cb -0.05 0.47 -0.06 0.00 -3.10 0.00 0.00 33.47 30.73 1qg3 s TRP 1162CO -0.00 -0.82 1.50 0.42 -2.66 0.00 0.00 176.95 175.39 1qg3 s ILE 1163N -3.78 3.48 0.16 0.66 1.01 -1.26 -0.98 121.20 120.50 1qg3 s ILE 1163Ca 0.02 0.86 -0.34 0.00 0.00 0.00 0.00 60.65 61.20 1qg3 s ILE 1163Cb -0.00 -3.56 -0.15 0.00 0.01 0.00 0.00 42.46 38.76 1qg3 s ILE 1163CO -0.12 -0.01 1.33 1.67 0.00 0.00 0.00 174.94 177.81 1qg3 n GLN 1164N 5.62 1.50 0.00 2.79 7.27 0.00 -1.44 117.38 133.12 1qg3 n GLN 1164Ca 0.14 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.75 1qg3 n GLN 1164Cb 0.42 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 30.92 1qg3 n GLN 1164CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qg3 n GLY 1165N 2.39 0.42 3.95 1.69 0.00 -1.26 -4.96 105.19 107.42 1qg3 n GLY 1165Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1qg3 n GLY 1165CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qg3 s ASP 1166N -2.18 6.30 0.31 1.61 1.11 -0.52 -5.07 116.67 118.23 1qg3 s ASP 1166Ca 0.00 0.12 -0.29 0.00 0.18 0.00 0.00 52.55 52.56 1qg3 s ASP 1166Cb 0.00 -1.87 -0.10 0.00 1.07 0.00 0.00 42.92 42.02 1qg3 s ASP 1166CO 0.00 0.01 1.33 -0.55 1.18 0.00 0.00 175.17 177.14 1qg3 s SER 1167N -3.50 6.75 0.19 0.27 0.15 -1.26 -4.83 113.70 111.47 1qg3 s SER 1167Ca 0.34 2.68 0.11 0.00 0.70 0.00 0.00 55.95 59.79 1qg3 s SER 1167Cb -0.10 -2.64 0.61 0.00 -1.71 0.00 0.00 66.02 62.17 1qg3 s SER 1167CO 0.28 -0.57 1.29 -0.62 1.20 0.00 0.00 173.24 174.82 1qg3 n GLU 1168N 1.11 0.07 0.30 5.44 1.02 -1.26 0.22 120.64 127.54 1qg3 n GLU 1168Ca 0.01 0.54 0.19 0.00 -0.02 0.00 0.00 57.16 57.88 1qg3 n GLU 1168Cb 0.42 -1.84 0.87 0.00 -0.02 0.00 0.00 31.44 30.87 1qg3 n GLU 1168CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1qg3 h SER 1169N 0.00 0.00 -0.62 1.62 0.87 -2.01 0.21 113.55 113.62 1qg3 h SER 1169Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1qg3 h SER 1169Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1qg3 h SER 1169CO 0.00 0.02 0.00 -0.62 -0.53 0.00 0.00 176.83 175.70 1qg3 n GLU 1170N -3.16 4.35 -2.66 2.24 -0.58 0.61 -4.99 120.64 116.46 1qg3 n GLU 1170Ca -0.01 -3.05 -0.33 0.00 -0.42 0.00 0.00 57.16 53.35 1qg3 n GLU 1170Cb 0.22 -2.09 -0.05 0.00 -0.57 0.00 0.00 31.44 28.95 1qg3 n GLU 1170CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qg3 s ALA 1171N -2.33 2.96 0.01 0.62 0.00 0.06 -4.76 121.76 118.32 1qg3 s ALA 1171Ca 0.53 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1qg3 s ALA 1171Cb 0.38 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1qg3 s ALA 1171CO 0.20 -0.10 0.11 -1.01 0.00 0.00 0.00 175.76 174.97 1qg3 s HIS 1172N -2.13 3.36 -0.15 0.00 3.76 0.11 -4.91 115.29 115.33 1qg3 s HIS 1172Ca 0.64 0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.80 1qg3 s HIS 1172Cb -0.12 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.82 1qg3 s HIS 1172CO 0.18 0.58 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.95 1qg3 s LEU 1173N -1.90 2.29 0.10 0.89 1.43 -1.26 -1.71 118.68 118.51 1qg3 s LEU 1173Ca 0.25 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1qg3 s LEU 1173Cb -0.12 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1qg3 s LEU 1173CO 0.17 0.07 -0.23 -0.76 0.23 0.00 0.00 176.35 175.83 1qg3 s LEU 1174N 0.86 2.28 0.05 1.79 1.43 -0.26 -4.98 118.68 119.85 1qg3 s LEU 1174Ca -0.05 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1qg3 s LEU 1174Cb -0.15 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1qg3 s LEU 1174CO -0.02 0.12 -0.15 -0.62 0.23 0.00 0.00 176.35 175.91 1qg3 s ASP 1175N -1.79 4.02 -0.13 2.29 -1.08 -1.26 0.27 116.67 118.99 1qg3 s ASP 1175Ca 0.09 -0.40 -0.14 0.00 -0.52 0.00 0.00 52.55 51.58 1qg3 s ASP 1175Cb -0.10 -0.71 0.04 0.00 -1.46 0.00 0.00 42.92 40.69 1qg3 s ASP 1175CO 0.04 0.24 0.38 -0.55 0.52 0.00 0.00 175.17 175.80 1qg3 s SER 1176N -1.64 -0.39 0.17 -0.34 0.15 0.36 -4.96 113.70 107.05 1qg3 s SER 1176Ca 0.16 0.72 0.23 0.00 0.70 0.00 0.00 55.95 57.76 1qg3 s SER 1176Cb -0.11 0.74 0.08 0.00 -1.71 0.00 0.00 66.02 65.02 1qg3 s SER 1176CO 0.07 -0.17 1.10 0.29 1.20 0.00 0.00 173.24 175.74 1qg3 n LYS 1177N 2.71 0.51 -4.21 5.44 4.01 -1.26 0.20 118.16 125.55 1qg3 n LYS 1177Ca -0.14 0.10 -0.27 0.00 -0.51 0.00 0.00 58.31 57.49 1qg3 n LYS 1177Cb 0.57 -1.78 -0.08 0.00 -0.51 0.00 0.00 35.03 33.23 1qg3 n LYS 1177CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1qg3 s VAL 1178N -3.31 3.62 0.00 -0.18 -7.23 -1.26 -4.76 120.40 107.28 1qg3 s VAL 1178Ca 0.01 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1qg3 s VAL 1178Cb 0.11 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1qg3 s VAL 1178CO 0.78 -0.06 1.22 -0.81 -0.31 0.00 0.00 175.10 175.92 1qg3 n PRO 1179N 0.08 0.60 -3.56 4.82 -0.04 -1.26 -4.69 135.00 130.96 1qg3 n PRO 1179Ca -0.10 -0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 1qg3 n PRO 1179Cb 0.54 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 1qg3 n PRO 1179CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qg3 s SER 1180N 2.12 -0.46 0.05 3.54 0.15 -1.26 -2.56 113.70 115.29 1qg3 s SER 1180Ca 0.08 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 57.00 1qg3 s SER 1180Cb 0.04 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1qg3 s SER 1180CO 0.00 -0.44 0.47 0.54 1.20 0.00 0.00 173.24 175.01 1qg3 s VAL 1181N -1.23 0.04 -0.29 4.45 0.11 -0.24 -4.89 120.40 118.34 1qg3 s VAL 1181Ca -0.04 -0.35 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1qg3 s VAL 1181Cb -0.00 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1qg3 s VAL 1181CO 0.04 -0.19 0.09 -1.61 -3.33 0.00 0.00 175.10 170.09 1qg3 s GLU 1182N -2.60 3.17 -0.18 1.54 0.41 -1.26 -1.61 118.70 118.17 1qg3 s GLU 1182Ca -0.04 -0.81 -0.22 0.00 -0.41 0.00 0.00 54.97 53.48 1qg3 s GLU 1182Cb -0.01 -3.39 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1qg3 s GLU 1182CO -0.03 -0.42 0.70 -0.51 -0.49 0.00 0.00 175.26 174.51 1qg3 s LEU 1183N 1.52 4.16 0.44 1.80 1.43 -0.02 -4.95 118.68 123.07 1qg3 s LEU 1183Ca 0.03 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1qg3 s LEU 1183Cb -0.17 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1qg3 s LEU 1183CO 0.03 -0.30 0.04 0.42 0.23 0.00 0.00 176.35 176.77 1qg3 s THR 1184N 1.91 1.21 -1.66 5.49 -4.23 -1.26 -1.58 115.64 115.52 1qg3 s THR 1184Ca 0.32 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1qg3 s THR 1184Cb -0.16 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1qg3 s THR 1184CO 0.11 0.00 0.30 0.59 -0.54 0.00 0.00 174.62 175.08 1qg3 n ASN 1185N -1.13 -5.98 -4.93 3.99 3.02 -1.17 -4.99 115.26 104.07 1qg3 n ASN 1185Ca -0.11 -0.15 -0.26 0.00 -0.03 0.00 0.00 54.58 54.03 1qg3 n ASN 1185Cb 0.66 -4.90 0.06 0.00 -0.61 0.00 0.00 39.78 35.00 1qg3 n ASN 1185CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qg3 s LEU 1186N -6.26 2.94 0.21 3.41 1.43 -1.02 -5.07 118.68 114.33 1qg3 s LEU 1186Ca 0.15 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.58 1qg3 s LEU 1186Cb -0.06 -3.23 -0.08 0.00 0.03 0.00 0.00 46.19 42.84 1qg3 s LEU 1186CO 0.18 -1.44 0.71 -0.31 0.23 0.00 0.00 176.35 175.72 1qg3 s TYR 1187N -3.17 3.65 0.67 0.29 1.51 -1.26 -4.71 117.35 114.33 1qg3 s TYR 1187Ca 0.58 1.36 -0.12 0.00 -1.01 0.00 0.00 57.07 57.88 1qg3 s TYR 1187Cb -0.11 -2.60 -0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1qg3 s TYR 1187CO 0.45 0.35 1.06 -1.25 -1.11 0.00 0.00 175.55 175.06 1qg3 s PRO 1188N -1.94 2.97 -1.56 -1.71 0.04 -1.26 -3.75 135.00 127.79 1qg3 s PRO 1188Ca 0.42 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 1qg3 s PRO 1188Cb -0.17 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1qg3 s PRO 1188CO 0.21 -1.08 0.23 0.98 0.04 0.00 0.00 177.00 177.38 1qg3 n TYR 1189N -2.84 -1.38 -4.69 0.56 9.36 0.81 -4.77 117.16 114.21 1qg3 n TYR 1189Ca 0.08 0.67 -0.24 0.00 3.32 0.00 0.00 57.90 61.72 1qg3 n TYR 1189Cb 0.53 -2.93 -0.16 0.00 -0.63 0.00 0.00 39.34 36.15 1qg3 n TYR 1189CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1qg3 s ASP 1191N 0.12 7.39 0.09 0.00 1.01 -1.26 -2.00 116.67 122.01 1qg3 s ASP 1191Ca -0.04 1.80 0.08 0.00 0.71 0.00 0.00 52.55 55.09 1qg3 s ASP 1191Cb -0.11 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1qg3 s ASP 1191CO 0.02 -0.19 -0.20 -0.31 0.21 0.00 0.00 175.17 174.70 1qg3 s TYR 1192N 0.43 1.73 0.12 4.23 1.51 0.08 -0.82 117.35 124.63 1qg3 s TYR 1192Ca 0.50 -0.41 0.11 0.00 -1.01 0.00 0.00 57.07 56.25 1qg3 s TYR 1192Cb -0.24 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1qg3 s TYR 1192CO 0.30 0.17 -0.26 -1.21 -1.11 0.00 0.00 175.55 173.44 1qg3 s GLU 1193N -1.78 1.47 0.17 -0.62 2.02 -0.15 -1.12 118.70 118.69 1qg3 s GLU 1193Ca 0.06 -1.32 -0.20 0.00 0.02 0.00 0.00 54.97 53.53 1qg3 s GLU 1193Cb -0.10 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 32.25 1qg3 s GLU 1193CO 0.04 0.46 0.56 0.00 0.02 0.00 0.00 175.26 176.33 1qg3 s MET 1194N -2.02 1.32 0.16 1.61 0.23 0.25 -1.58 119.30 119.26 1qg3 s MET 1194Ca 0.14 -0.67 -0.21 0.00 -1.03 0.00 0.00 55.69 53.93 1qg3 s MET 1194Cb -0.10 0.55 0.05 0.00 -1.53 0.00 0.00 34.83 33.81 1qg3 s MET 1194CO 0.06 -0.57 0.54 -1.59 -2.03 0.00 0.00 175.02 171.44 1qg3 s LYS 1195N -3.81 1.25 0.02 3.16 -2.85 -0.79 -1.24 119.74 115.49 1qg3 s LYS 1195Ca 0.04 -0.59 -0.01 0.00 -1.00 0.00 0.00 55.97 54.41 1qg3 s LYS 1195Cb -0.01 0.55 -0.02 0.00 -2.06 0.00 0.00 37.83 36.29 1qg3 s LYS 1195CO -0.08 -0.54 -0.01 0.54 0.10 0.00 0.00 175.35 175.36 1qg3 s VAL 1196N -3.78 0.12 0.12 1.79 0.11 -1.26 -1.51 120.40 115.98 1qg3 s VAL 1196Ca 0.03 -0.95 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1qg3 s VAL 1196Cb -0.00 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1qg3 s VAL 1196CO -0.11 -0.52 -0.05 0.00 -3.33 0.00 0.00 175.10 171.09 1qg3 s ALA 1198N -3.61 3.46 0.03 0.00 0.00 -1.26 -1.03 121.76 119.34 1qg3 s ALA 1198Ca 0.16 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1qg3 s ALA 1198Cb 0.05 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1qg3 s ALA 1198CO -0.02 0.38 -0.12 1.52 0.00 0.00 0.00 175.76 177.53 1qg3 s TYR 1199N -1.95 1.02 0.00 0.00 -0.85 -0.64 -0.58 117.35 114.35 1qg3 s TYR 1199Ca 0.31 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 1qg3 s TYR 1199Cb -0.09 -0.61 0.00 0.00 0.38 0.00 0.00 41.96 41.64 1qg3 s TYR 1199CO 0.23 0.00 0.00 0.41 -1.52 0.00 0.00 175.55 174.67 1qg3 n GLY 1200N 2.04 4.16 0.45 5.49 0.00 0.16 -0.42 105.19 117.08 1qg3 n GLY 1200Ca -0.18 -1.23 0.26 0.00 0.00 0.00 0.00 46.02 44.87 1qg3 n GLY 1200CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qg3 h ALA 1201N 1.36 2.68 -0.03 4.61 0.00 -2.00 0.16 119.26 126.04 1qg3 h ALA 1201Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qg3 h ALA 1201Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qg3 h ALA 1201CO 0.00 -0.95 0.00 1.04 0.00 0.00 0.00 179.25 179.34 1qg3 n GLN 1202N -4.34 2.17 0.00 0.00 1.13 -1.26 -5.07 117.38 110.01 1qg3 n GLN 1202Ca 0.19 -1.70 0.00 0.00 -1.94 0.00 0.00 57.00 53.55 1qg3 n GLN 1202Cb 0.91 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.79 1qg3 n GLN 1202CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qg3 n GLY 1203N 1.31 0.02 3.80 1.08 0.00 0.55 -5.03 105.19 106.92 1qg3 n GLY 1203Ca 0.15 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1qg3 n GLY 1203CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qg3 s GLU 1204N 0.00 4.35 0.77 1.61 2.02 -1.26 0.40 118.70 126.59 1qg3 s GLU 1204Ca 0.00 0.92 -0.02 0.00 0.02 0.00 0.00 54.97 55.89 1qg3 s GLU 1204Cb 0.00 -3.21 0.15 0.00 0.10 0.00 0.00 34.13 31.18 1qg3 s GLU 1204CO 0.00 0.59 1.06 0.20 0.02 0.00 0.00 175.26 177.13 1qg3 s GLY 1205N -1.19 1.76 0.71 -1.39 0.00 0.25 -4.98 107.32 102.48 1qg3 s GLY 1205Ca 0.33 -1.80 -0.13 0.00 0.00 0.00 0.00 44.72 43.13 1qg3 s GLY 1205CO 0.22 -1.15 1.10 2.56 0.00 0.00 0.00 173.10 175.83 1qg3 s PRO 1206N -5.27 2.55 0.58 2.90 0.04 -1.26 -4.60 135.00 129.94 1qg3 s PRO 1206Ca 0.69 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1qg3 s PRO 1206Cb -0.04 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1qg3 s PRO 1206CO 0.46 -1.43 1.03 0.71 0.04 0.00 0.00 177.00 177.81 1qg3 s TYR 1207N -2.61 3.22 1.17 0.56 2.02 -1.26 -4.26 117.35 116.19 1qg3 s TYR 1207Ca 0.64 1.47 -0.19 0.00 -0.37 0.00 0.00 57.07 58.62 1qg3 s TYR 1207Cb -0.19 -2.90 0.28 0.00 -0.40 0.00 0.00 41.96 38.75 1qg3 s TYR 1207CO 0.48 -0.82 1.15 -1.54 -1.57 0.00 0.00 175.55 173.25 1qg3 s SER 1208N -3.08 1.21 0.86 2.29 1.04 0.76 -4.82 113.70 111.96 1qg3 s SER 1208Ca 0.61 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 57.46 1qg3 s SER 1208Cb -0.13 -0.73 0.11 0.00 0.10 0.00 0.00 66.02 65.37 1qg3 s SER 1208CO 0.38 -3.94 1.10 -0.94 0.98 0.00 0.00 173.24 170.82 1qg3 s SER 1209N -4.09 3.86 0.13 7.02 1.04 -1.26 -4.68 113.70 115.72 1qg3 s SER 1209Ca 0.72 1.31 -0.23 0.00 0.48 0.00 0.00 55.95 58.23 1qg3 s SER 1209Cb -0.08 -2.00 -0.07 0.00 0.10 0.00 0.00 66.02 63.96 1qg3 s SER 1209CO 0.55 -2.37 0.70 -0.22 0.98 0.00 0.00 173.24 172.88 1qg3 s LEU 1210N -6.02 4.57 0.07 2.42 2.96 -1.26 -4.68 118.68 116.74 1qg3 s LEU 1210Ca 0.62 1.50 0.07 0.00 -0.22 0.00 0.00 54.13 56.10 1qg3 s LEU 1210Cb -0.16 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1qg3 s LEU 1210CO 0.55 0.23 -0.18 0.68 -1.32 0.00 0.00 176.35 176.31 1qg3 s VAL 1211N -1.11 1.48 0.12 1.68 -7.23 -0.37 -4.97 120.40 110.00 1qg3 s VAL 1211Ca 0.33 -1.30 0.10 0.00 -1.81 0.00 0.00 61.98 59.31 1qg3 s VAL 1211Cb -0.22 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1qg3 s VAL 1211CO 0.23 0.00 -0.25 -0.44 -0.31 0.00 0.00 175.10 174.34 1qg3 s SER 1212N -1.51 3.01 -0.17 4.85 0.01 -1.26 -0.58 113.70 118.04 1qg3 s SER 1212Ca 0.04 -0.72 -0.27 0.00 1.31 0.00 0.00 55.95 56.32 1qg3 s SER 1212Cb -0.09 -0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.02 1qg3 s SER 1212CO 0.03 0.13 0.68 0.00 0.41 0.00 0.00 173.24 174.49 1qg3 s ARG 1214N -0.27 3.04 0.61 0.00 3.52 -1.26 -0.75 118.95 123.84 1qg3 s ARG 1214Ca -0.05 -0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 54.81 1qg3 s ARG 1214Cb -0.03 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.69 1qg3 s ARG 1214CO 0.05 0.49 1.09 0.95 -0.81 0.00 0.00 175.30 177.07 1qg3 s THR 1215N -0.34 3.43 1.02 4.11 -4.23 -0.85 -4.54 115.64 114.24 1qg3 s THR 1215Ca 0.05 0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 61.16 1qg3 s THR 1215Cb -0.12 -3.24 0.20 0.00 1.34 0.00 0.00 72.50 70.68 1qg3 s THR 1215CO 0.02 -0.36 1.07 -1.00 -0.54 0.00 0.00 174.62 173.82 1qg3 s HIS 1216N -2.25 1.77 0.48 3.99 0.09 -1.26 -2.56 115.29 115.55 1qg3 s HIS 1216Ca 0.67 1.28 -0.05 0.00 -0.00 0.00 0.00 55.06 56.96 1qg3 s HIS 1216Cb -0.20 -3.18 -0.04 0.00 -0.00 0.00 0.00 32.58 29.17 1qg3 s HIS 1216CO 0.36 -3.15 0.78 -0.65 -0.00 0.00 0.00 174.74 172.09 1qg3 s GLN 1217N -4.70 3.55 0.17 1.40 -0.21 -1.26 -0.14 119.66 118.48 1qg3 s GLN 1217Ca 0.66 0.21 0.06 0.00 0.02 0.00 0.00 55.36 56.31 1qg3 s GLN 1217Cb -0.22 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 1qg3 s GLN 1217CO 0.60 -0.20 -0.13 -1.21 -2.12 0.00 0.00 175.29 172.24 1qg3 s GLU 1218N -4.70 1.18 0.65 2.91 0.41 -0.75 -4.72 118.70 113.68 1qg3 s GLU 1218Ca 0.47 -1.49 -0.17 0.00 -0.41 0.00 0.00 54.97 53.37 1qg3 s GLU 1218Cb -0.10 -0.89 -0.01 0.00 -1.78 0.00 0.00 34.13 31.35 1qg3 s GLU 1218CO 0.44 0.14 1.24 0.14 -0.49 0.00 0.00 175.26 176.73 1qg3 s VAL 1219N -3.02 2.34 0.93 2.63 -7.23 -1.26 -4.48 120.40 110.30 1qg3 s VAL 1219Ca 0.19 0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 60.44 1qg3 s VAL 1219Cb 0.00 -2.99 0.15 0.00 0.56 0.00 0.00 36.38 34.10 1qg3 s VAL 1219CO 0.04 -0.06 1.09 -2.84 -0.31 0.00 0.00 175.10 173.02 1qg3 s PRO 1220N -3.51 0.99 0.39 4.82 0.02 -1.25 -4.77 135.00 131.69 1qg3 s PRO 1220Ca 0.78 0.89 -0.06 0.00 0.02 0.00 0.00 61.00 62.63 1qg3 s PRO 1220Cb -0.33 -1.77 0.09 0.00 0.02 0.00 0.00 34.50 32.51 1qg3 s PRO 1220CO 0.39 -2.45 0.53 -1.13 -0.33 0.00 0.00 177.00 174.01 1qg3 n SER 1221N -4.03 0.09 -4.83 2.53 3.41 0.05 -4.03 113.62 106.80 1qg3 n SER 1221Ca 0.07 -1.22 -0.32 0.00 -0.26 0.00 0.00 58.87 57.14 1qg3 n SER 1221Cb 0.55 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1qg3 n SER 1221CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1qg3 s GLU 1222N -4.11 3.40 1.17 4.33 1.03 -1.26 -4.56 118.70 118.69 1qg3 s GLU 1222Ca 0.30 0.98 -0.14 0.00 0.03 0.00 0.00 54.97 56.14 1qg3 s GLU 1222Cb -0.01 -2.05 0.28 0.00 -0.80 0.00 0.00 34.13 31.55 1qg3 s GLU 1222CO 0.21 -0.73 1.03 -2.14 -1.33 0.00 0.00 175.26 172.31 1qg3 s PRO 1223N -4.60 -0.95 0.88 -4.83 0.02 -1.26 -4.09 135.00 120.17 1qg3 s PRO 1223Ca 0.59 0.60 -0.11 0.00 0.02 0.00 0.00 61.00 62.09 1qg3 s PRO 1223Cb -0.13 -1.57 0.12 0.00 0.02 0.00 0.00 34.50 32.94 1qg3 s PRO 1223CO 0.45 -3.68 1.09 0.20 -0.33 0.00 0.00 177.00 174.73 1qg3 s GLY 1224N -2.89 1.63 0.17 0.52 0.00 -0.34 -4.78 107.32 101.63 1qg3 s GLY 1224Ca 0.68 -0.00 -0.33 0.00 0.00 0.00 0.00 44.72 45.07 1qg3 s GLY 1224CO 0.62 0.47 1.29 0.54 0.00 0.00 0.00 173.10 176.02 1qg3 n ARG 1225N -3.86 1.48 -1.96 2.90 5.12 -1.26 -4.37 116.66 114.71 1qg3 n ARG 1225Ca 0.07 0.53 -0.41 0.00 -1.93 0.00 0.00 57.85 56.11 1qg3 n ARG 1225Cb 0.55 -2.11 -0.02 0.00 -1.16 0.00 0.00 32.46 29.71 1qg3 n ARG 1225CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1qg3 s LEU 1226N 0.51 4.38 -0.13 0.55 1.43 -1.26 -4.64 118.68 119.51 1qg3 s LEU 1226Ca 0.74 2.76 0.01 0.00 -1.03 0.00 0.00 54.13 56.61 1qg3 s LEU 1226Cb -0.80 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 1qg3 s LEU 1226CO 0.49 -0.74 -0.17 0.00 0.23 0.00 0.00 176.35 176.16 1qg3 s ALA 1227N -0.21 2.46 -0.04 4.21 0.00 -0.07 -4.99 121.76 123.12 1qg3 s ALA 1227Ca 0.59 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.65 1qg3 s ALA 1227Cb -0.43 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1qg3 s ALA 1227CO 0.47 0.18 -0.22 -0.06 0.00 0.00 0.00 175.76 176.13 1qg3 s PHE 1228N 0.48 2.49 -0.38 0.00 0.40 -1.26 -1.41 117.98 118.30 1qg3 s PHE 1228Ca -0.11 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1qg3 s PHE 1228Cb -0.16 -1.57 0.11 0.00 0.51 0.00 0.00 43.02 41.91 1qg3 s PHE 1228CO 0.05 -0.01 0.13 -0.80 0.70 0.00 0.00 175.22 175.29 1qg3 s ASN 1229N -0.53 4.28 0.22 1.36 0.01 -0.88 -4.99 114.94 114.40 1qg3 s ASN 1229Ca 0.07 -2.21 -0.32 0.00 -0.71 0.00 0.00 52.86 49.69 1qg3 s ASN 1229Cb -0.11 -1.29 -0.13 0.00 0.41 0.00 0.00 41.25 40.13 1qg3 s ASN 1229CO 0.01 -0.35 1.58 0.52 -1.51 0.00 0.00 177.10 177.35 1qg3 n VAL 1230N 4.14 0.39 -0.08 1.60 0.31 -1.26 -2.31 118.33 121.12 1qg3 n VAL 1230Ca 0.03 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1qg3 n VAL 1230Cb 0.39 -1.72 -0.04 0.00 -0.91 0.00 0.00 33.84 31.56 1qg3 n VAL 1230CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1qg3 n VAL 1231N 3.00 1.35 -4.19 2.52 0.31 -0.21 -4.93 118.33 116.18 1qg3 n VAL 1231Ca 0.14 0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.40 1qg3 n VAL 1231Cb 0.32 -2.04 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 1qg3 n VAL 1231CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qg3 n SER 1232N -4.14 0.86 0.08 4.52 2.88 -0.38 -4.96 113.62 112.47 1qg3 n SER 1232Ca -0.22 -1.86 0.12 0.00 -1.33 0.00 0.00 58.87 55.58 1qg3 n SER 1232Cb 0.54 0.45 0.46 0.00 -0.75 0.00 0.00 64.21 64.91 1qg3 n SER 1232CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1qg3 n SER 1233N -1.94 0.52 -0.07 -3.46 3.41 -1.26 -3.31 113.62 107.51 1qg3 n SER 1233Ca -0.02 0.57 0.01 0.00 -0.26 0.00 0.00 58.87 59.18 1qg3 n SER 1233Cb 0.24 -0.70 0.02 0.00 -0.26 0.00 0.00 64.21 63.51 1qg3 n SER 1233CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qg3 n THR 1234N -2.01 0.62 -3.81 6.66 -2.24 -1.26 -4.35 114.28 107.89 1qg3 n THR 1234Ca 0.05 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 61.03 1qg3 n THR 1234Cb 0.34 0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 1qg3 n THR 1234CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qg3 s VAL 1235N -0.75 -0.01 0.00 2.28 1.01 -1.21 -1.75 120.40 119.96 1qg3 s VAL 1235Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1qg3 s VAL 1235Cb 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.26 1qg3 s VAL 1235CO 0.00 0.02 0.23 0.28 0.00 0.00 0.00 175.10 175.63 1qg3 s THR 1236N 0.32 0.07 -0.11 3.92 -1.32 -0.56 -1.05 115.64 116.92 1qg3 s THR 1236Ca -0.02 -0.61 -0.12 0.00 -1.21 0.00 0.00 61.69 59.73 1qg3 s THR 1236Cb -0.03 -0.59 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 1qg3 s THR 1236CO -0.01 -0.34 0.27 -1.58 -2.21 0.00 0.00 174.62 170.75 1qg3 s GLN 1237N -1.53 3.92 -0.07 7.08 0.74 -0.98 -0.73 119.66 128.09 1qg3 s GLN 1237Ca -0.13 0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.43 1qg3 s GLN 1237Cb -0.06 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 1qg3 s GLN 1237CO 0.02 0.53 -0.25 -1.17 -0.55 0.00 0.00 175.29 173.87 1qg3 s LEU 1238N -0.40 2.09 0.11 3.68 2.96 0.12 -2.08 118.68 125.16 1qg3 s LEU 1238Ca 0.17 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1qg3 s LEU 1238Cb -0.14 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1qg3 s LEU 1238CO 0.06 0.23 0.09 -0.94 -1.32 0.00 0.00 176.35 174.46 1qg3 s SER 1239N -0.05 0.29 -0.01 3.68 1.04 -0.50 0.52 113.70 118.67 1qg3 s SER 1239Ca -0.07 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.05 1qg3 s SER 1239Cb -0.15 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.34 1qg3 s SER 1239CO 0.05 -0.72 0.65 -1.66 0.98 0.00 0.00 173.24 172.54 1qg3 s TRP 1240N -3.97 -0.62 0.52 5.02 -2.14 -1.05 -0.90 118.94 115.81 1qg3 s TRP 1240Ca 0.15 0.95 -0.04 0.00 2.66 0.00 0.00 56.10 59.82 1qg3 s TRP 1240Cb 0.07 0.43 -0.01 0.00 -3.10 0.00 0.00 33.47 30.85 1qg3 s TRP 1240CO -0.04 -0.65 0.81 0.00 -2.66 0.00 0.00 176.95 174.41 1qg3 s ALA 1241N -1.68 3.44 0.57 2.67 0.00 -1.26 -4.81 121.76 120.68 1qg3 s ALA 1241Ca -0.09 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 1qg3 s ALA 1241Cb -0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1qg3 s ALA 1241CO 0.05 -0.55 1.21 -2.00 0.00 0.00 0.00 175.76 174.48 1qg3 s GLU 1242N -4.80 3.12 0.37 0.00 2.12 -1.26 -1.20 118.70 117.03 1qg3 s GLU 1242Ca 0.50 1.84 -0.27 0.00 0.36 0.00 0.00 54.97 57.41 1qg3 s GLU 1242Cb -0.10 -2.02 -0.12 0.00 0.26 0.00 0.00 34.13 32.15 1qg3 s GLU 1242CO 0.43 -1.10 1.18 -2.30 -0.54 0.00 0.00 175.26 172.94 1qg3 n PRO 1243N -1.38 1.80 -0.22 4.30 -0.02 -1.26 -4.24 135.00 133.98 1qg3 n PRO 1243Ca 0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1qg3 n PRO 1243Cb 0.49 -2.20 0.12 0.00 -0.02 0.00 0.00 33.50 31.89 1qg3 n PRO 1243CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qg3 h ALA 1244N 2.15 0.87 -3.30 3.55 0.00 -1.89 -3.31 119.26 117.33 1qg3 h ALA 1244Ca -0.45 0.06 -0.69 0.00 0.00 0.00 0.00 54.91 53.84 1qg3 h ALA 1244Cb 1.31 -0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.75 1qg3 h ALA 1244CO 0.60 -0.11 -0.61 -1.21 0.00 0.00 0.00 179.25 177.92 1qg3 s GLU 1245N -6.08 2.15 0.20 0.00 8.01 -1.26 -4.94 118.70 116.78 1qg3 s GLU 1245Ca -0.13 -1.60 0.03 0.00 0.01 0.00 0.00 54.97 53.29 1qg3 s GLU 1245Cb 0.17 -3.42 0.12 0.00 -4.31 0.00 0.00 34.13 26.69 1qg3 s GLU 1245CO 0.75 -0.89 1.47 1.79 0.01 0.00 0.00 175.26 178.39 1qg3 h THR 1246N 6.40 1.44 -2.27 3.63 1.35 -1.94 0.19 112.91 121.72 1qg3 h THR 1246Ca -0.16 -2.31 -0.24 0.00 -0.55 0.00 0.00 66.41 63.16 1qg3 h THR 1246Cb 1.05 2.24 -0.07 0.00 -1.73 0.00 0.00 68.15 69.64 1qg3 h THR 1246CO 0.63 0.68 -0.25 0.59 -0.25 0.00 0.00 175.52 176.91 1qg3 n ASN 1247N -3.76 -3.34 0.00 5.36 3.02 -1.26 -3.78 115.26 111.49 1qg3 n ASN 1247Ca -0.03 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1qg3 n ASN 1247Cb 0.71 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 1qg3 n ASN 1247CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qg3 n GLY 1248N -0.41 -1.15 3.42 7.41 0.00 -1.26 -1.80 105.19 111.39 1qg3 n GLY 1248Ca -0.13 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 1qg3 n GLY 1248CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qg3 s GLU 1249N -1.99 3.00 0.13 1.61 -6.30 -1.26 -5.00 118.70 108.89 1qg3 s GLU 1249Ca 0.00 -1.18 -0.31 0.00 -2.50 0.00 0.00 54.97 50.97 1qg3 s GLU 1249Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 34.13 29.95 1qg3 s GLU 1249CO 0.00 -0.98 1.57 0.42 0.02 0.00 0.00 175.26 176.30 1qg3 s ILE 1250N 1.80 2.79 -0.44 -3.70 1.01 -1.26 -4.07 121.20 117.33 1qg3 s ILE 1250Ca 0.06 0.50 0.05 0.00 0.00 0.00 0.00 60.65 61.26 1qg3 s ILE 1250Cb -0.22 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1qg3 s ILE 1250CO 0.08 0.03 0.45 0.35 0.00 0.00 0.00 174.94 175.85 1qg3 n THR 1251N 4.17 0.00 -3.60 2.92 -2.24 -0.20 -4.75 114.28 110.58 1qg3 n THR 1251Ca 0.14 -0.45 -0.03 0.00 -2.27 0.00 0.00 64.05 61.44 1qg3 n THR 1251Cb 0.39 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1qg3 n THR 1251CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qg3 s ALA 1252N -0.88 -2.11 0.11 6.98 0.00 -1.20 -4.26 121.76 120.39 1qg3 s ALA 1252Ca 0.04 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1qg3 s ALA 1252Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1qg3 s ALA 1252CO 0.12 -0.71 -0.10 0.71 0.00 0.00 0.00 175.76 175.78 1qg3 s TYR 1253N -2.42 1.08 -0.08 0.00 2.02 -0.54 -0.52 117.35 116.90 1qg3 s TYR 1253Ca 0.11 -0.72 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1qg3 s TYR 1253Cb 0.00 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 41.00 1qg3 s TYR 1253CO -0.04 -0.00 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.86 1qg3 s GLU 1254N -3.16 1.30 -0.15 -0.62 2.12 -0.61 -0.42 118.70 117.15 1qg3 s GLU 1254Ca 0.09 -0.22 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 1qg3 s GLU 1254Cb -0.00 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.07 1qg3 s GLU 1254CO -0.01 -0.14 0.06 0.08 -0.54 0.00 0.00 175.26 174.72 1qg3 s VAL 1255N 1.23 4.81 -0.01 3.70 1.01 -0.17 -2.41 120.40 128.56 1qg3 s VAL 1255Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1qg3 s VAL 1255Cb -0.14 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 1qg3 s VAL 1255CO -0.02 0.52 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 1qg3 s TYR 1257N -0.04 -0.42 0.02 0.00 1.13 -0.51 -0.57 117.35 116.96 1qg3 s TYR 1257Ca 0.01 0.63 -0.29 0.00 -1.41 0.00 0.00 57.07 56.01 1qg3 s TYR 1257Cb -0.05 0.27 0.10 0.00 -1.10 0.00 0.00 41.96 41.18 1qg3 s TYR 1257CO -0.00 -0.53 1.15 0.20 -2.51 0.00 0.00 175.55 173.85 1qg3 s GLY 1258N -1.44 -0.35 0.42 5.49 0.00 -0.98 -0.50 107.32 109.96 1qg3 s GLY 1258Ca -0.10 0.65 -0.25 0.00 0.00 0.00 0.00 44.72 45.01 1qg3 s GLY 1258CO 0.05 0.15 1.24 1.08 0.00 0.00 0.00 173.10 175.62 1qg3 s LEU 1259N -2.83 4.17 0.17 0.66 1.43 -1.26 -1.02 118.68 119.99 1qg3 s LEU 1259Ca 0.12 2.50 0.07 0.00 -1.03 0.00 0.00 54.13 55.79 1qg3 s LEU 1259Cb 0.02 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 1qg3 s LEU 1259CO -0.02 -0.82 -0.14 0.68 0.23 0.00 0.00 176.35 176.27 1qg3 s VAL 1260N -1.35 1.55 0.00 -1.59 -7.23 -1.03 -0.40 120.40 110.35 1qg3 s VAL 1260Ca 0.58 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1qg3 s VAL 1260Cb -0.34 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1qg3 s VAL 1260CO 0.43 -0.54 0.00 -0.46 -0.31 0.00 0.00 175.10 174.22 1qg3 n ASN 1261N -0.04 0.00 -0.03 4.85 0.23 0.42 -4.70 115.26 116.00 1qg3 n ASN 1261Ca -0.11 -0.73 0.08 0.00 -0.53 0.00 0.00 54.58 53.29 1qg3 n ASN 1261Cb 0.59 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.75 1qg3 n ASN 1261CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1qg3 h ASP 1262N 0.00 0.41 -0.24 0.53 5.19 -2.01 -1.18 116.42 119.13 1qg3 h ASP 1262Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1qg3 h ASP 1262Cb 0.00 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1qg3 h ASP 1262CO 0.00 0.28 0.00 0.47 -3.12 0.00 0.00 179.24 176.87 1qg3 n ASP 1263N -4.48 2.65 -2.06 6.45 8.00 -1.26 -4.86 116.55 121.00 1qg3 n ASP 1263Ca 0.06 -2.31 -0.20 0.00 0.71 0.00 0.00 54.79 53.05 1qg3 n ASP 1263Cb 0.20 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 1qg3 n ASP 1263CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qg3 n ASN 1264N 0.26 -5.70 -4.64 -2.24 3.02 -0.45 -4.96 115.26 100.54 1qg3 n ASN 1264Ca 0.11 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.45 1qg3 n ASN 1264Cb 0.56 -4.82 -0.08 0.00 -0.61 0.00 0.00 39.78 34.82 1qg3 n ASN 1264CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qg3 s ARG 1265N -4.55 4.10 0.06 3.52 0.52 -1.26 -4.77 118.95 116.57 1qg3 s ARG 1265Ca 0.00 0.05 -0.37 0.00 -0.52 0.00 0.00 55.73 54.89 1qg3 s ARG 1265Cb 0.00 -3.58 -0.16 0.00 0.52 0.00 0.00 34.95 31.73 1qg3 s ARG 1265CO 0.00 -0.10 1.42 -2.30 0.02 0.00 0.00 175.30 174.33 1qg3 n PRO 1266N 4.74 1.30 -3.11 3.54 -0.02 -1.26 -0.43 135.00 139.76 1qg3 n PRO 1266Ca -0.10 0.47 -0.25 0.00 -2.02 0.00 0.00 63.50 61.60 1qg3 n PRO 1266Cb 0.51 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1qg3 n PRO 1266CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1qg3 n ILE 1267N 2.87 2.04 -2.60 4.25 -5.35 0.47 -4.81 119.36 116.22 1qg3 n ILE 1267Ca 0.19 -5.20 0.00 0.00 -0.27 0.00 0.00 62.75 57.47 1qg3 n ILE 1267Cb 0.20 -1.39 0.00 0.00 -1.74 0.00 0.00 39.64 36.71 1qg3 n ILE 1267CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qg3 n GLY 1268N 0.22 -0.03 3.82 3.28 0.00 -1.26 -4.84 105.19 106.38 1qg3 n GLY 1268Ca 0.29 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1qg3 n GLY 1268CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qg3 s PRO 1269N -2.00 3.92 -0.20 1.61 0.02 -1.26 -4.95 135.00 132.15 1qg3 s PRO 1269Ca 0.00 1.13 -0.07 0.00 0.02 0.00 0.00 61.00 62.08 1qg3 s PRO 1269Cb 0.00 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1qg3 s PRO 1269CO 0.00 -0.30 0.05 -1.64 -0.33 0.00 0.00 177.00 174.78 1qg3 s MET 1270N -3.59 3.85 -0.00 5.54 -1.94 -1.26 -4.52 119.30 117.37 1qg3 s MET 1270Ca 0.62 -0.41 -0.20 0.00 -1.71 0.00 0.00 55.69 54.00 1qg3 s MET 1270Cb -0.12 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.47 1qg3 s MET 1270CO 0.23 0.15 0.57 0.15 -0.01 0.00 0.00 175.02 176.12 1qg3 s LYS 1271N 0.69 4.28 -0.08 2.03 1.02 0.35 -4.90 119.74 123.14 1qg3 s LYS 1271Ca 0.03 0.70 0.03 0.00 0.02 0.00 0.00 55.97 56.74 1qg3 s LYS 1271Cb -0.13 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1qg3 s LYS 1271CO 0.02 0.40 -0.15 0.15 -0.92 0.00 0.00 175.35 174.84 1qg3 s LYS 1272N -0.27 2.08 -0.17 1.68 1.02 -1.26 -1.42 119.74 121.40 1qg3 s LYS 1272Ca 0.30 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.76 1qg3 s LYS 1272Cb -0.18 -1.67 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 1qg3 s LYS 1272CO 0.17 0.05 -0.20 0.08 -0.92 0.00 0.00 175.35 174.53 1qg3 s VAL 1273N 0.62 2.04 -0.09 3.17 1.01 0.00 -4.99 120.40 122.16 1qg3 s VAL 1273Ca -0.15 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 1qg3 s VAL 1273Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1qg3 s VAL 1273CO 0.04 0.54 0.54 -0.22 0.00 0.00 0.00 175.10 176.01 1qg3 s LEU 1274N 1.14 4.31 -0.37 3.92 2.96 -1.26 -1.00 118.68 128.38 1qg3 s LEU 1274Ca 0.01 0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 54.80 1qg3 s LEU 1274Cb -0.14 -2.81 0.05 0.00 0.50 0.00 0.00 46.19 43.80 1qg3 s LEU 1274CO -0.09 -0.00 0.16 -0.69 -1.32 0.00 0.00 176.35 174.40 1qg3 s VAL 1275N 0.51 3.89 -0.35 1.68 1.01 0.44 -4.97 120.40 122.61 1qg3 s VAL 1275Ca 0.29 -1.26 0.23 0.00 0.00 0.00 0.00 61.98 61.24 1qg3 s VAL 1275Cb -0.16 -3.29 0.18 0.00 0.00 0.00 0.00 36.38 33.12 1qg3 s VAL 1275CO 0.13 -0.31 1.36 0.44 0.00 0.00 0.00 175.10 176.72 1qg3 h ASP 1276N 8.26 0.00 -3.39 3.32 3.32 -1.85 -1.43 116.42 124.66 1qg3 h ASP 1276Ca -0.22 -0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.10 1qg3 h ASP 1276Cb 1.08 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.39 1qg3 h ASP 1276CO 0.65 0.00 -0.40 0.21 -1.72 0.00 0.00 179.24 177.98 1qg3 s ASN 1277N -5.80 5.94 0.47 6.45 3.84 -1.26 -4.58 114.94 120.01 1qg3 s ASN 1277Ca 0.04 -1.32 0.30 0.00 0.21 0.00 0.00 52.86 52.09 1qg3 s ASN 1277Cb 0.07 -2.10 1.62 0.00 -0.55 0.00 0.00 41.25 40.29 1qg3 s ASN 1277CO 0.72 -0.57 1.90 1.55 -2.79 0.00 0.00 177.10 177.92 1qg3 h PRO 1278N 8.60 0.00 0.00 0.43 0.13 -1.82 -1.52 132.00 137.82 1qg3 h PRO 1278Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1qg3 h PRO 1278Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1qg3 h PRO 1278CO 0.81 0.00 -0.22 0.87 -0.23 0.00 0.00 178.00 179.23 1qg3 h LYS 1279N 0.00 0.00 -4.60 0.86 1.57 -1.94 -3.40 116.57 109.07 1qg3 h LYS 1279Ca 0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.04 1qg3 h LYS 1279Cb 0.11 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.22 1qg3 h LYS 1279CO 0.00 0.22 1.02 -0.80 -0.57 0.00 0.00 179.45 179.32 1qg3 s ASN 1280N -6.30 6.98 -0.71 0.86 0.01 -0.57 -4.86 114.94 110.34 1qg3 s ASN 1280Ca 0.05 -2.83 -0.02 0.00 -0.71 0.00 0.00 52.86 49.36 1qg3 s ASN 1280Cb 0.06 -2.36 0.35 0.00 0.41 0.00 0.00 41.25 39.71 1qg3 s ASN 1280CO 0.70 -0.75 2.11 0.54 -1.51 0.00 0.00 177.10 178.18 1qg3 n ARG 1281N 5.35 2.63 -3.70 -0.60 1.74 -1.26 -4.84 116.66 115.98 1qg3 n ARG 1281Ca 0.30 -3.19 -0.11 0.00 -0.77 0.00 0.00 57.85 54.08 1qg3 n ARG 1281Cb 0.44 -2.22 -0.10 0.00 -1.02 0.00 0.00 32.46 29.56 1qg3 n ARG 1281CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1qg3 s MET 1282N -3.61 0.47 -0.01 5.56 1.75 -1.26 -2.52 119.30 119.69 1qg3 s MET 1282Ca 0.56 0.77 0.01 0.00 -1.25 0.00 0.00 55.69 55.79 1qg3 s MET 1282Cb 0.45 0.09 -0.00 0.00 2.84 0.00 0.00 34.83 38.21 1qg3 s MET 1282CO -0.22 -0.12 -0.05 -1.17 -0.65 0.00 0.00 175.02 172.80 1qg3 s LEU 1283N 1.00 1.96 -0.28 4.11 2.96 0.18 -4.97 118.68 123.64 1qg3 s LEU 1283Ca -0.06 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 1qg3 s LEU 1283Cb -0.06 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 1qg3 s LEU 1283CO -0.09 0.05 0.29 -0.22 -1.32 0.00 0.00 176.35 175.06 1qg3 s LEU 1284N -0.04 4.04 -0.20 -0.68 1.98 -1.26 0.13 118.68 122.65 1qg3 s LEU 1284Ca 0.01 0.13 -0.05 0.00 -2.89 0.00 0.00 54.13 51.34 1qg3 s LEU 1284Cb -0.03 -2.28 -0.02 0.00 0.66 0.00 0.00 46.19 44.52 1qg3 s LEU 1284CO -0.00 -0.13 -0.01 -0.63 -1.89 0.00 0.00 176.35 173.69 1qg3 s ILE 1285N 1.92 3.91 0.48 6.68 1.01 0.10 -5.00 121.20 130.30 1qg3 s ILE 1285Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1qg3 s ILE 1285Cb -0.16 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1qg3 s ILE 1285CO 0.10 0.43 0.01 -1.61 0.00 0.00 0.00 174.94 173.88 1qg3 s GLU 1286N 0.95 2.13 -1.54 2.79 2.02 -1.26 -1.50 118.70 122.28 1qg3 s GLU 1286Ca 0.01 -2.33 -0.04 0.00 0.02 0.00 0.00 54.97 52.63 1qg3 s GLU 1286Cb -0.14 -1.50 0.01 0.00 0.10 0.00 0.00 34.13 32.60 1qg3 s GLU 1286CO 0.02 -0.30 0.47 0.09 0.02 0.00 0.00 175.26 175.56 1qg3 n ASN 1287N -1.20 -5.72 -4.80 -0.19 3.02 -1.06 -4.97 115.26 100.35 1qg3 n ASN 1287Ca -0.16 -0.23 -0.37 0.00 -0.03 0.00 0.00 54.58 53.80 1qg3 n ASN 1287Cb 0.67 -4.66 -0.06 0.00 -0.61 0.00 0.00 39.78 35.12 1qg3 n ASN 1287CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qg3 s LEU 1288N -6.52 4.35 0.15 3.41 1.43 -0.72 -5.01 118.68 115.77 1qg3 s LEU 1288Ca 0.25 1.56 -0.30 0.00 -1.03 0.00 0.00 54.13 54.61 1qg3 s LEU 1288Cb -0.12 -3.71 -0.08 0.00 0.03 0.00 0.00 46.19 42.31 1qg3 s LEU 1288CO 0.31 0.01 1.31 -0.13 0.23 0.00 0.00 176.35 178.08 1qg3 s ARG 1289N -1.97 4.38 0.24 1.70 0.52 -1.26 -4.47 118.95 118.09 1qg3 s ARG 1289Ca 0.45 2.00 -0.31 0.00 -0.52 0.00 0.00 55.73 57.35 1qg3 s ARG 1289Cb -0.18 -3.24 -0.13 0.00 0.52 0.00 0.00 34.95 31.93 1qg3 s ARG 1289CO 0.22 -0.29 1.47 -1.91 0.02 0.00 0.00 175.30 174.81 1qg3 n GLU 1290N 3.21 2.18 -1.73 3.54 2.13 -1.26 -2.76 120.64 125.95 1qg3 n GLU 1290Ca 0.08 0.78 -0.18 0.00 0.66 0.00 0.00 57.16 58.49 1qg3 n GLU 1290Cb 0.43 -2.48 -0.06 0.00 0.27 0.00 0.00 31.44 29.60 1qg3 n GLU 1290CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1qg3 n SER 1291N 2.39 -4.92 -4.57 4.31 7.64 -1.26 -4.98 113.62 112.23 1qg3 n SER 1291Ca 0.12 0.36 -0.34 0.00 1.01 0.00 0.00 58.87 60.02 1qg3 n SER 1291Cb 0.32 -4.33 -0.11 0.00 -1.01 0.00 0.00 64.21 59.07 1qg3 n SER 1291CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qg3 s GLN 1292N -3.88 2.93 0.23 1.43 -1.52 -1.11 -4.91 119.66 112.82 1qg3 s GLN 1292Ca 0.00 -0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 52.57 1qg3 s GLN 1292Cb 0.00 -2.66 -0.09 0.00 -0.22 0.00 0.00 33.01 30.05 1qg3 s GLN 1292CO 0.00 0.59 1.02 -1.25 -0.25 0.00 0.00 175.29 175.40 1qg3 s PRO 1293N -0.60 4.73 0.08 2.91 0.04 -1.26 -4.51 135.00 136.39 1qg3 s PRO 1293Ca 0.09 1.63 0.06 0.00 0.04 0.00 0.00 61.00 62.82 1qg3 s PRO 1293Cb -0.12 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1qg3 s PRO 1293CO 0.02 0.32 -0.17 0.71 0.04 0.00 0.00 177.00 177.92 1qg3 s TYR 1294N -0.92 1.45 -0.17 0.56 1.51 -0.24 -2.47 117.35 117.06 1qg3 s TYR 1294Ca 0.44 -0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1qg3 s TYR 1294Cb -0.28 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1qg3 s TYR 1294CO 0.35 0.11 0.08 0.50 -1.11 0.00 0.00 175.55 175.49 1qg3 s ARG 1295N -1.71 3.86 -0.01 -0.62 3.52 -0.19 -0.75 118.95 123.04 1qg3 s ARG 1295Ca 0.02 -0.29 0.07 0.00 -0.13 0.00 0.00 55.73 55.40 1qg3 s ARG 1295Cb -0.10 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1qg3 s ARG 1295CO 0.03 0.40 -0.23 0.71 -0.81 0.00 0.00 175.30 175.39 1qg3 s TYR 1296N 0.04 2.41 -0.01 5.12 1.51 0.15 -2.32 117.35 124.25 1qg3 s TYR 1296Ca 0.07 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1qg3 s TYR 1296Cb -0.12 -1.51 -0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1qg3 s TYR 1296CO 0.00 0.04 0.05 0.95 -1.11 0.00 0.00 175.55 175.48 1qg3 s THR 1297N -0.67 0.04 -0.02 -0.71 -4.23 0.26 -0.90 115.64 109.41 1qg3 s THR 1297Ca 0.11 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 1qg3 s THR 1297Cb -0.10 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.55 1qg3 s THR 1297CO -0.00 -0.19 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.13 1qg3 s VAL 1298N -0.58 0.59 0.06 2.29 1.01 -0.14 -0.89 120.40 122.74 1qg3 s VAL 1298Ca -0.06 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1qg3 s VAL 1298Cb -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1qg3 s VAL 1298CO 0.00 0.19 -0.05 -1.59 0.00 0.00 0.00 175.10 173.64 1qg3 s LYS 1299N 0.11 0.64 0.18 2.72 -2.85 -1.01 -0.33 119.74 119.20 1qg3 s LYS 1299Ca -0.01 -1.09 0.09 0.00 -1.00 0.00 0.00 55.97 53.96 1qg3 s LYS 1299Cb -0.06 -0.06 -0.04 0.00 -2.06 0.00 0.00 37.83 35.61 1qg3 s LYS 1299CO -0.00 -0.03 -0.08 0.00 0.10 0.00 0.00 175.35 175.33 1qg3 s ALA 1300N -2.96 2.98 0.00 0.59 0.00 -1.26 -1.57 121.76 119.53 1qg3 s ALA 1300Ca 0.02 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 50.57 1qg3 s ALA 1300Cb 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1qg3 s ALA 1300CO -0.05 0.46 -0.18 0.50 0.00 0.00 0.00 175.76 176.49 1qg3 s ARG 1301N -2.88 1.36 0.00 0.00 3.52 0.32 -0.54 118.95 120.72 1qg3 s ARG 1301Ca 0.25 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1qg3 s ARG 1301Cb -0.09 -1.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 1qg3 s ARG 1301CO 0.16 0.36 0.00 0.27 -0.81 0.00 0.00 175.30 175.28 1qg3 n ASN 1302N 2.46 0.02 -0.04 -2.12 0.23 -0.74 -1.03 115.26 114.03 1qg3 n ASN 1302Ca -0.15 -0.62 0.15 0.00 -0.53 0.00 0.00 54.58 53.43 1qg3 n ASN 1302Cb 0.54 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.82 1qg3 n ASN 1302CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1qg3 h GLY 1303N 0.00 0.34 1.74 4.83 0.00 -1.92 -1.42 103.07 106.64 1qg3 h GLY 1303Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1qg3 h GLY 1303CO 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 176.54 176.40 1qg3 n ALA 1304N -2.57 2.49 0.00 3.60 0.00 -1.26 -5.05 120.51 117.72 1qg3 n ALA 1304Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qg3 n ALA 1304Cb 0.46 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1qg3 n ALA 1304CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qg3 n GLY 1305N 1.33 0.68 3.77 0.00 0.00 -0.54 -4.71 105.19 105.72 1qg3 n GLY 1305Ca 0.05 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 1qg3 n GLY 1305CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qg3 s TRP 1306N -1.06 3.80 0.21 1.61 0.52 -1.26 -1.79 118.94 120.96 1qg3 s TRP 1306Ca 0.00 1.46 0.01 0.00 0.02 0.00 0.00 56.10 57.59 1qg3 s TRP 1306Cb 0.00 -2.72 0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1qg3 s TRP 1306CO 0.00 0.42 0.28 0.41 0.02 0.00 0.00 176.95 178.09 1qg3 n GLY 1307N 2.00 1.14 3.76 0.98 0.00 0.30 -4.83 105.19 108.53 1qg3 n GLY 1307Ca -0.06 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1qg3 n GLY 1307CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qg3 s PRO 1308N -3.07 2.02 0.03 1.61 0.04 -1.26 -4.58 135.00 129.80 1qg3 s PRO 1308Ca 0.19 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.27 1qg3 s PRO 1308Cb -0.01 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1qg3 s PRO 1308CO 0.13 -1.77 0.15 -1.83 0.04 0.00 0.00 177.00 173.72 1qg3 s GLU 1309N -4.93 3.27 -0.16 4.56 -1.05 -1.26 -4.18 118.70 114.95 1qg3 s GLU 1309Ca 0.62 -0.46 -0.14 0.00 -0.15 0.00 0.00 54.97 54.84 1qg3 s GLU 1309Cb -0.17 -2.97 -0.05 0.00 -0.44 0.00 0.00 34.13 30.51 1qg3 s GLU 1309CO 0.56 0.63 0.28 0.50 0.95 0.00 0.00 175.26 178.19 1qg3 s ARG 1310N -2.17 4.23 0.30 -4.83 6.06 0.56 -4.89 118.95 118.21 1qg3 s ARG 1310Ca 0.29 0.08 0.11 0.00 -2.50 0.00 0.00 55.73 53.72 1qg3 s ARG 1310Cb -0.13 -3.42 -0.06 0.00 0.06 0.00 0.00 34.95 31.41 1qg3 s ARG 1310CO 0.21 0.26 -0.16 -2.00 -2.50 0.00 0.00 175.30 171.11 1qg3 s GLU 1311N 0.40 1.72 -0.28 5.12 2.12 -1.26 -0.97 118.70 125.55 1qg3 s GLU 1311Ca 0.16 -1.82 -0.20 0.00 0.36 0.00 0.00 54.97 53.47 1qg3 s GLU 1311Cb -0.13 -1.73 0.13 0.00 0.26 0.00 0.00 34.13 32.66 1qg3 s GLU 1311CO 0.04 0.26 0.95 0.00 -0.54 0.00 0.00 175.26 175.97 1qg3 s ALA 1312N -2.56 -2.09 -0.23 6.30 0.00 -0.08 -4.78 121.76 118.32 1qg3 s ALA 1312Ca 0.31 2.10 -0.07 0.00 0.00 0.00 0.00 51.96 54.30 1qg3 s ALA 1312Cb -0.02 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1qg3 s ALA 1312CO 0.15 -0.31 0.06 0.42 0.00 0.00 0.00 175.76 176.08 1qg3 s ILE 1313N 0.92 4.33 0.01 0.00 1.09 -1.26 0.35 121.20 126.64 1qg3 s ILE 1313Ca -0.04 -0.17 0.02 0.00 -1.10 0.00 0.00 60.65 59.36 1qg3 s ILE 1313Cb -0.04 -3.00 -0.01 0.00 -1.06 0.00 0.00 42.46 38.34 1qg3 s ILE 1313CO -0.12 0.37 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.40 1qg3 s ILE 1314N 1.32 0.53 -0.21 2.92 -1.09 0.07 -4.95 121.20 119.79 1qg3 s ILE 1314Ca 0.05 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 1qg3 s ILE 1314Cb -0.15 -0.48 0.04 0.00 -1.58 0.00 0.00 42.46 40.30 1qg3 s ILE 1314CO 0.03 0.02 -0.10 0.21 -1.23 0.00 0.00 174.94 173.87 1qg3 s ASN 1315N -0.51 3.49 0.59 3.58 3.84 -1.26 -1.08 114.94 123.59 1qg3 s ASN 1315Ca -0.00 -0.94 0.29 0.00 0.21 0.00 0.00 52.86 52.42 1qg3 s ASN 1315Cb -0.04 -1.24 1.72 0.00 -0.55 0.00 0.00 41.25 41.13 1qg3 s ASN 1315CO -0.00 -0.16 2.15 -0.07 -2.79 0.00 0.00 177.10 176.23 1qg3 h LEU 1316N 7.96 0.00 -1.45 3.21 3.38 -1.90 -1.35 115.31 125.16 1qg3 h LEU 1316Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1qg3 h LEU 1316Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1qg3 h LEU 1316CO 0.47 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.79 1qg3 h ALA 1317N 1.84 1.14 -1.29 1.53 0.00 -1.91 -3.29 119.26 117.28 1qg3 h ALA 1317Ca 0.06 -0.19 -0.45 0.00 0.00 0.00 0.00 54.91 54.33 1qg3 h ALA 1317Cb 0.33 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.68 1qg3 h ALA 1317CO -0.00 0.26 -1.03 0.25 0.00 0.00 0.00 179.25 178.72 1qg3 n THR 1318N -3.54 1.41 -0.07 0.00 -2.24 -0.52 -4.91 114.28 104.41 1qg3 n THR 1318Ca -0.01 -3.86 -0.07 0.00 -2.27 0.00 0.00 64.05 57.84 1qg3 n THR 1318Cb 0.36 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1qg3 n THR 1318CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1qg3 n GLN 1319N -0.17 0.41 0.00 -0.78 -0.06 -1.16 -4.82 117.38 110.80 1qg3 n GLN 1319Ca 0.20 0.16 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 1qg3 n GLN 1319Cb 0.74 -1.21 0.00 0.00 -4.06 0.00 0.00 30.24 25.71 1qg3 n GLN 1319CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51