#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qg3 s LEU 1127N 0.00 4.49 0.92 0.00 1.43 -1.26 -4.93 118.68 119.32 1qg3 s LEU 1127Ca 0.00 2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 55.24 1qg3 s LEU 1127Cb 0.00 -3.62 0.18 0.00 0.03 0.00 0.00 46.19 42.78 1qg3 s LEU 1127CO 0.00 -0.29 1.27 -0.83 0.23 0.00 0.00 176.35 176.73 1qg3 s GLY 1128N -0.29 1.75 0.13 -3.19 0.00 -1.24 -4.18 107.32 100.29 1qg3 s GLY 1128Ca 0.49 -1.17 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 1qg3 s GLY 1128CO 0.39 -0.46 0.78 0.00 0.00 0.00 0.00 173.10 173.81 1qg3 s ALA 1129N -3.78 3.42 0.36 3.20 0.00 -1.26 -4.55 121.76 119.15 1qg3 s ALA 1129Ca 0.72 0.35 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 1qg3 s ALA 1129Cb -0.05 -2.98 -0.12 0.00 0.00 0.00 0.00 23.12 19.97 1qg3 s ALA 1129CO 0.52 0.21 1.23 -2.30 0.00 0.00 0.00 175.76 175.42 1qg3 n PRO 1130N 2.01 1.94 -3.89 0.00 -0.02 -1.26 -4.67 135.00 129.10 1qg3 n PRO 1130Ca -0.04 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.91 1qg3 n PRO 1130Cb 0.49 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1qg3 n PRO 1130CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1qg3 s GLN 1131N -1.92 3.15 -1.33 -0.52 -1.52 -0.80 -4.52 119.66 112.21 1qg3 s GLN 1131Ca 0.57 -0.95 -0.15 0.00 -1.95 0.00 0.00 55.36 52.88 1qg3 s GLN 1131Cb -0.57 -2.74 0.01 0.00 -0.22 0.00 0.00 33.01 29.49 1qg3 s GLN 1131CO 0.61 0.31 0.48 0.09 -0.25 0.00 0.00 175.29 176.52 1qg3 n ASN 1132N -1.39 -2.19 -4.74 5.90 3.02 -1.26 -0.21 115.26 114.39 1qg3 n ASN 1132Ca -0.06 -1.17 -0.42 0.00 -0.03 0.00 0.00 54.58 52.91 1qg3 n ASN 1132Cb 0.58 -2.35 -0.02 0.00 -0.61 0.00 0.00 39.78 37.38 1qg3 n ASN 1132CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1qg3 s PRO 1133N -6.91 4.17 -0.01 3.52 0.04 -1.26 -4.35 135.00 130.20 1qg3 s PRO 1133Ca 0.25 2.48 0.01 0.00 0.04 0.00 0.00 61.00 63.77 1qg3 s PRO 1133Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1qg3 s PRO 1133CO 0.94 -0.61 -0.02 1.21 0.04 0.00 0.00 177.00 178.56 1qg3 s ASN 1134N 0.75 0.28 0.04 6.66 2.47 0.74 -4.95 114.94 120.92 1qg3 s ASN 1134Ca 0.66 -0.03 0.02 0.00 0.42 0.00 0.00 52.86 53.93 1qg3 s ASN 1134Cb -0.46 -0.06 -0.02 0.00 -1.45 0.00 0.00 41.25 39.25 1qg3 s ASN 1134CO 0.40 -0.00 -0.07 0.00 -3.72 0.00 0.00 177.10 173.71 1qg3 s ALA 1135N 0.18 0.50 -0.17 1.71 0.00 -1.26 -0.19 121.76 122.52 1qg3 s ALA 1135Ca -0.02 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1qg3 s ALA 1135Cb -0.04 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.18 1qg3 s ALA 1135CO -0.01 -0.03 0.56 -1.59 0.00 0.00 0.00 175.76 174.69 1qg3 s LYS 1136N -1.43 0.71 0.27 0.00 -2.85 -0.70 -4.95 119.74 110.79 1qg3 s LYS 1136Ca -0.10 0.63 -0.31 0.00 -1.00 0.00 0.00 55.97 55.20 1qg3 s LYS 1136Cb -0.09 0.34 -0.12 0.00 -2.06 0.00 0.00 37.83 35.91 1qg3 s LYS 1136CO 0.00 -0.12 1.64 0.00 0.10 0.00 0.00 175.35 176.97 1qg3 s ALA 1137N -0.04 3.81 -0.25 0.59 0.00 -1.26 -1.16 121.76 123.45 1qg3 s ALA 1137Ca -0.03 1.58 -0.04 0.00 0.00 0.00 0.00 51.96 53.48 1qg3 s ALA 1137Cb -0.04 -3.67 0.09 0.00 0.00 0.00 0.00 23.12 19.51 1qg3 s ALA 1137CO 0.02 -0.97 0.13 0.00 0.00 0.00 0.00 175.76 174.94 1qg3 s ALA 1138N 0.38 0.45 0.00 0.00 0.00 -0.77 -4.82 121.76 117.00 1qg3 s ALA 1138Ca 0.67 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1qg3 s ALA 1138Cb -0.49 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1qg3 s ALA 1138CO 0.43 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1qg3 n GLY 1139N 5.27 -1.83 3.71 0.00 0.00 -1.26 -4.37 105.19 106.71 1qg3 n GLY 1139Ca -0.06 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.04 113.70 112.02 1qg3 s SER 1140Ca 0.00 1.75 -0.13 0.00 0.70 0.00 0.00 55.95 58.27 1qg3 s SER 1140Cb 0.00 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.84 1qg3 s SER 1140CO 0.00 -0.33 0.62 0.54 1.20 0.00 0.00 173.24 175.27 1qg3 n ARG 1141N 3.99 -3.51 -3.87 5.44 1.74 -1.26 -4.89 116.66 114.30 1qg3 n ARG 1141Ca 0.07 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.50 1qg3 n ARG 1141Cb 0.50 -5.18 -0.05 0.00 -1.02 0.00 0.00 32.46 26.71 1qg3 n ARG 1141CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1qg3 s LYS 1142N -6.34 1.32 -0.02 5.56 -2.85 -1.26 -2.26 119.74 113.89 1qg3 s LYS 1142Ca 0.53 -1.05 0.01 0.00 -1.00 0.00 0.00 55.97 54.46 1qg3 s LYS 1142Cb -0.28 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 35.95 1qg3 s LYS 1142CO 0.65 -0.53 -0.04 0.42 0.10 0.00 0.00 175.35 175.95 1qg3 s ILE 1143N -3.93 0.40 -0.29 3.79 1.01 -0.65 -1.86 121.20 119.67 1qg3 s ILE 1143Ca 0.14 -0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 1qg3 s ILE 1143Cb 0.01 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1qg3 s ILE 1143CO 0.00 0.16 0.49 -2.28 0.00 0.00 0.00 174.94 173.31 1qg3 s HIS 1144N 0.48 3.23 -0.17 3.97 5.65 -0.31 -0.32 115.29 127.81 1qg3 s HIS 1144Ca -0.05 0.44 0.01 0.00 0.25 0.00 0.00 55.06 55.70 1qg3 s HIS 1144Cb -0.09 -2.77 0.01 0.00 -1.18 0.00 0.00 32.58 28.55 1qg3 s HIS 1144CO -0.00 -0.36 -0.18 0.12 -0.65 0.00 0.00 174.74 173.66 1qg3 s PHE 1145N 2.30 2.78 0.29 3.88 5.36 -0.32 -1.71 117.98 130.56 1qg3 s PHE 1145Ca 0.19 -1.42 0.04 0.00 -0.96 0.00 0.00 56.93 54.78 1qg3 s PHE 1145Cb -0.16 -1.92 -0.06 0.00 -0.34 0.00 0.00 43.02 40.55 1qg3 s PHE 1145CO 0.11 -0.69 0.04 0.54 -1.46 0.00 0.00 175.22 173.76 1qg3 s ASN 1146N 1.15 2.11 0.24 6.13 4.22 0.73 -1.09 114.94 128.44 1qg3 s ASN 1146Ca 0.01 -1.33 -0.21 0.00 -2.14 0.00 0.00 52.86 49.19 1qg3 s ASN 1146Cb -0.14 -0.03 0.06 0.00 1.28 0.00 0.00 41.25 42.41 1qg3 s ASN 1146CO -0.08 -0.59 0.90 -1.66 -2.04 0.00 0.00 177.10 173.63 1qg3 s TRP 1147N -3.37 -0.03 -0.23 1.54 -2.14 -0.87 -0.18 118.94 113.66 1qg3 s TRP 1147Ca 0.35 -0.43 -0.10 0.00 2.66 0.00 0.00 56.10 58.57 1qg3 s TRP 1147Cb 0.08 0.72 -0.05 0.00 -3.10 0.00 0.00 33.47 31.12 1qg3 s TRP 1147CO 0.14 -1.11 0.15 -0.51 -2.66 0.00 0.00 176.95 172.96 1qg3 s LEU 1148N -3.09 4.15 0.32 -4.66 1.02 0.71 -4.79 118.68 112.33 1qg3 s LEU 1148Ca 0.15 0.15 -0.27 0.00 0.02 0.00 0.00 54.13 54.19 1qg3 s LEU 1148Cb -0.03 -2.11 -0.13 0.00 0.02 0.00 0.00 46.19 43.94 1qg3 s LEU 1148CO 0.06 0.10 1.02 -2.65 0.02 0.00 0.00 176.35 174.90 1qg3 n PRO 1149N 4.05 1.40 -1.84 1.29 -0.02 -1.26 -1.90 135.00 136.71 1qg3 n PRO 1149Ca -0.15 0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 1qg3 n PRO 1149Cb 0.52 -1.91 0.01 0.00 -0.02 0.00 0.00 33.50 32.10 1qg3 n PRO 1149CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1qg3 s PRO 1150N -1.67 3.52 0.40 0.52 0.04 -1.26 -4.70 135.00 131.86 1qg3 s PRO 1150Ca 0.59 0.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 1qg3 s PRO 1150Cb -0.66 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.71 1qg3 s PRO 1150CO 0.60 -0.63 1.28 -1.13 0.04 0.00 0.00 177.00 177.15 1qg3 n SER 1151N -2.78 2.62 0.00 6.66 3.41 -1.26 -4.66 113.62 117.60 1qg3 n SER 1151Ca 0.06 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1qg3 n SER 1151Cb 0.54 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1qg3 n SER 1151CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qg3 n GLY 1152N 0.80 0.16 2.69 5.00 0.00 -1.26 -3.62 105.19 108.96 1qg3 n GLY 1152Ca 0.06 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 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 1.65 0.38 1.61 1.02 -1.26 -5.11 119.74 118.03 1qg3 s LYS 1153Ca 0.00 -2.59 -0.26 0.00 0.02 0.00 0.00 55.97 53.14 1qg3 s LYS 1153Cb 0.00 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 1qg3 s LYS 1153CO 0.00 -1.28 1.12 -2.14 -0.92 0.00 0.00 175.35 172.12 1qg3 s PRO 1154N -0.48 4.20 -0.02 -1.68 0.02 -1.26 -4.71 135.00 131.07 1qg3 s PRO 1154Ca 0.25 1.72 0.20 0.00 0.02 0.00 0.00 61.00 63.20 1qg3 s PRO 1154Cb -0.07 -2.72 -0.27 0.00 0.02 0.00 0.00 34.50 31.45 1qg3 s PRO 1154CO -0.13 -0.16 0.63 -1.33 -0.33 0.00 0.00 177.00 175.68 1qg3 n MET 1155N 0.23 0.54 -1.54 5.54 2.81 0.16 -4.98 117.12 119.88 1qg3 n MET 1155Ca 0.04 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1qg3 n MET 1155Cb 0.47 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.40 0.57 3.13 3.03 0.00 -1.16 -4.85 105.19 107.32 1qg3 n GLY 1156Ca -0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.39 -0.05 -0.20 1.61 2.02 0.99 -2.65 117.35 116.68 1qg3 s TYR 1157Ca 0.00 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 1qg3 s TYR 1157Cb 0.00 0.00 0.03 0.00 -0.40 0.00 0.00 41.96 41.59 1qg3 s TYR 1157CO 0.00 -0.28 -0.18 0.50 -1.57 0.00 0.00 175.55 174.02 1qg3 s ARG 1158N -1.14 2.88 -0.13 -0.62 3.52 -0.63 -1.23 118.95 121.61 1qg3 s ARG 1158Ca -0.12 -0.91 -0.07 0.00 -0.13 0.00 0.00 55.73 54.50 1qg3 s ARG 1158Cb -0.06 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 1qg3 s ARG 1158CO 0.02 -0.27 0.13 0.08 -0.81 0.00 0.00 175.30 174.44 1qg3 s VAL 1159N 1.27 5.38 -0.13 7.11 1.01 0.49 -2.00 120.40 133.53 1qg3 s VAL 1159Ca 0.03 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1qg3 s VAL 1159Cb -0.14 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1qg3 s VAL 1159CO -0.11 0.60 -0.19 -0.75 0.00 0.00 0.00 175.10 174.65 1qg3 s LYS 1160N -0.83 2.62 0.04 2.72 2.20 -0.43 -1.24 119.74 124.83 1qg3 s LYS 1160Ca 0.14 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1qg3 s LYS 1160Cb -0.12 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 1qg3 s LYS 1160CO 0.03 -0.05 -0.04 1.52 -0.36 0.00 0.00 175.35 176.46 1qg3 s TYR 1161N 0.93 0.48 0.11 4.03 1.13 -0.82 -1.52 117.35 121.69 1qg3 s TYR 1161Ca -0.06 -0.83 -0.25 0.00 -1.41 0.00 0.00 57.07 54.52 1qg3 s TYR 1161Cb -0.15 -0.34 0.08 0.00 -1.10 0.00 0.00 41.96 40.45 1qg3 s TYR 1161CO -0.02 -0.27 0.67 1.67 -2.51 0.00 0.00 175.55 175.09 1qg3 s TRP 1162N -2.86 -0.50 0.22 -3.49 -2.14 -0.48 -0.38 118.94 109.30 1qg3 s TRP 1162Ca -0.02 0.33 -0.30 0.00 2.66 0.00 0.00 56.10 58.78 1qg3 s TRP 1162Cb 0.00 0.55 -0.09 0.00 -3.10 0.00 0.00 33.47 30.83 1qg3 s TRP 1162CO -0.06 -0.76 1.41 0.42 -2.66 0.00 0.00 176.95 175.30 1qg3 s ILE 1163N -3.48 2.87 0.06 0.66 1.01 -1.26 -0.97 121.20 120.08 1qg3 s ILE 1163Ca 0.01 0.70 -0.33 0.00 0.00 0.00 0.00 60.65 61.03 1qg3 s ILE 1163Cb -0.01 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 38.89 1qg3 s ILE 1163CO -0.11 0.10 1.74 1.67 0.00 0.00 0.00 174.94 178.34 1qg3 n GLN 1164N 2.71 2.28 0.00 2.79 7.27 0.29 -1.04 117.38 131.68 1qg3 n GLN 1164Ca 0.08 0.83 0.00 0.00 0.07 0.00 0.00 57.00 57.97 1qg3 n GLN 1164Cb 0.41 -2.65 0.00 0.00 2.41 0.00 0.00 30.24 30.41 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 3.93 2.79 3.83 1.69 0.00 -1.26 -4.97 105.19 111.20 1qg3 n GLY 1165Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.93 6.02 0.39 1.61 1.11 -0.21 -5.03 116.67 119.63 1qg3 s ASP 1166Ca 0.00 1.65 -0.23 0.00 0.18 0.00 0.00 52.55 54.14 1qg3 s ASP 1166Cb 0.00 -2.51 -0.10 0.00 1.07 0.00 0.00 42.92 41.38 1qg3 s ASP 1166CO 0.00 -1.00 0.97 -0.55 1.18 0.00 0.00 175.17 175.77 1qg3 s SER 1167N -3.26 7.01 0.01 0.27 0.15 -1.26 -4.87 113.70 111.75 1qg3 s SER 1167Ca 0.60 1.83 0.01 0.00 0.70 0.00 0.00 55.95 59.09 1qg3 s SER 1167Cb -0.13 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1qg3 s SER 1167CO 0.41 -0.31 0.98 -0.62 1.20 0.00 0.00 173.24 174.90 1qg3 n GLU 1168N -0.11 0.00 0.29 5.44 1.02 -1.26 0.80 120.64 126.83 1qg3 n GLU 1168Ca 0.05 0.47 0.19 0.00 -0.02 0.00 0.00 57.16 57.84 1qg3 n GLU 1168Cb 0.52 -1.55 0.83 0.00 -0.02 0.00 0.00 31.44 31.22 1qg3 n GLU 1168CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1qg3 h SER 1169N 0.00 0.00 -0.38 1.62 0.02 -2.01 -0.79 113.55 112.02 1qg3 h SER 1169Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qg3 h SER 1169Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1qg3 h SER 1169CO 0.00 0.01 0.00 -0.62 -1.14 0.00 0.00 176.83 175.08 1qg3 n GLU 1170N -3.12 3.60 -1.74 3.45 4.71 0.24 -5.01 120.64 122.77 1qg3 n GLU 1170Ca -0.01 -2.94 -0.31 0.00 -0.01 0.00 0.00 57.16 53.90 1qg3 n GLU 1170Cb 0.24 -1.97 0.04 0.00 -1.01 0.00 0.00 31.44 28.73 1qg3 n GLU 1170CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qg3 s ALA 1171N -2.74 2.84 0.08 0.62 0.00 -0.30 -4.77 121.76 117.49 1qg3 s ALA 1171Ca 0.46 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1qg3 s ALA 1171Cb 0.36 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1qg3 s ALA 1171CO 0.12 -1.04 -0.17 -1.01 0.00 0.00 0.00 175.76 173.66 1qg3 s HIS 1172N -3.16 2.57 -0.14 0.00 3.76 0.49 -4.94 115.29 113.87 1qg3 s HIS 1172Ca 0.57 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.25 1qg3 s HIS 1172Cb -0.12 -1.41 0.01 0.00 1.11 0.00 0.00 32.58 32.16 1qg3 s HIS 1172CO 0.54 0.33 -0.20 -0.51 -0.85 0.00 0.00 174.74 174.06 1qg3 s LEU 1173N -1.83 2.23 0.09 0.89 1.43 -1.26 -1.94 118.68 118.28 1qg3 s LEU 1173Ca 0.17 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1qg3 s LEU 1173Cb -0.11 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1qg3 s LEU 1173CO 0.08 0.08 -0.19 -0.76 0.23 0.00 0.00 176.35 175.79 1qg3 s LEU 1174N 0.81 2.28 0.19 1.79 1.43 -0.37 -4.98 118.68 119.83 1qg3 s LEU 1174Ca -0.07 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1qg3 s LEU 1174Cb -0.15 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1qg3 s LEU 1174CO -0.01 0.03 0.01 -0.62 0.23 0.00 0.00 176.35 175.99 1qg3 s ASP 1175N -1.81 4.78 -0.13 2.29 2.15 -1.26 -0.38 116.67 122.31 1qg3 s ASP 1175Ca 0.04 -0.41 -0.23 0.00 0.43 0.00 0.00 52.55 52.38 1qg3 s ASP 1175Cb -0.10 -1.02 0.06 0.00 -0.30 0.00 0.00 42.92 41.56 1qg3 s ASP 1175CO 0.04 0.08 0.57 -0.55 -0.17 0.00 0.00 175.17 175.13 1qg3 s SER 1176N -3.05 -0.56 0.02 -0.34 0.15 -0.37 -4.95 113.70 104.60 1qg3 s SER 1176Ca 0.28 0.84 0.22 0.00 0.70 0.00 0.00 55.95 57.99 1qg3 s SER 1176Cb -0.09 0.83 -0.12 0.00 -1.71 0.00 0.00 66.02 64.93 1qg3 s SER 1176CO 0.19 -0.38 0.87 0.29 1.20 0.00 0.00 173.24 175.41 1qg3 n LYS 1177N 1.88 0.28 -4.32 5.44 4.76 -1.26 -0.01 118.16 124.93 1qg3 n LYS 1177Ca -0.17 -0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 54.98 1qg3 n LYS 1177Cb 0.56 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 32.12 1qg3 n LYS 1177CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1qg3 s VAL 1178N -3.20 3.22 0.00 -0.18 -7.23 -1.26 -4.75 120.40 107.00 1qg3 s VAL 1178Ca 0.03 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1qg3 s VAL 1178Cb 0.15 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1qg3 s VAL 1178CO 0.85 -0.31 0.42 -2.65 -0.31 0.00 0.00 175.10 173.09 1qg3 n PRO 1179N -0.60 0.33 -3.64 4.82 -0.02 -1.26 -4.70 135.00 129.92 1qg3 n PRO 1179Ca -0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.34 1qg3 n PRO 1179Cb 0.58 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.71 1qg3 n PRO 1179CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1qg3 s SER 1180N 1.28 -0.30 -0.07 2.55 1.04 -1.26 -2.06 113.70 114.88 1qg3 s SER 1180Ca 0.00 -0.24 -0.29 0.00 0.48 0.00 0.00 55.95 55.90 1qg3 s SER 1180Cb 0.00 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1qg3 s SER 1180CO 0.00 -0.87 0.85 0.54 0.98 0.00 0.00 173.24 174.74 1qg3 s VAL 1181N -3.36 0.00 -0.21 5.02 0.11 -0.25 -4.86 120.40 116.85 1qg3 s VAL 1181Ca 0.08 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1qg3 s VAL 1181Cb -0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1qg3 s VAL 1181CO -0.03 0.00 0.05 -1.61 -3.33 0.00 0.00 175.10 170.18 1qg3 s GLU 1182N -1.83 3.77 -0.23 1.54 0.41 -1.26 -1.17 118.70 119.92 1qg3 s GLU 1182Ca -0.02 -0.44 -0.20 0.00 -0.41 0.00 0.00 54.97 53.90 1qg3 s GLU 1182Cb -0.00 -3.22 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 1qg3 s GLU 1182CO 0.00 0.05 0.60 -0.51 -0.49 0.00 0.00 175.26 174.90 1qg3 s LEU 1183N 0.97 4.09 0.47 1.80 1.43 0.57 -4.94 118.68 123.07 1qg3 s LEU 1183Ca 0.03 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 1qg3 s LEU 1183Cb -0.14 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1qg3 s LEU 1183CO 0.03 -0.30 0.01 0.42 0.23 0.00 0.00 176.35 176.73 1qg3 s THR 1184N 2.19 1.45 -1.45 5.49 -4.23 -1.26 -1.64 115.64 116.18 1qg3 s THR 1184Ca 0.26 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1qg3 s THR 1184Cb -0.16 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1qg3 s THR 1184CO 0.09 0.00 0.92 0.59 -0.54 0.00 0.00 174.62 175.68 1qg3 n ASN 1185N -1.15 -6.03 -4.94 3.99 3.02 -1.19 -4.99 115.26 103.96 1qg3 n ASN 1185Ca -0.13 -0.46 -0.23 0.00 -0.03 0.00 0.00 54.58 53.73 1qg3 n ASN 1185Cb 0.67 -4.81 0.05 0.00 -0.61 0.00 0.00 39.78 35.09 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 -7.04 3.09 0.43 3.41 1.43 -0.96 -5.08 118.68 113.96 1qg3 s LEU 1186Ca 0.48 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 1qg3 s LEU 1186Cb -0.22 -2.91 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 1qg3 s LEU 1186CO 0.60 -1.35 0.84 -0.31 0.23 0.00 0.00 176.35 176.36 1qg3 s TYR 1187N -2.96 3.45 0.52 0.29 1.51 -1.26 -4.76 117.35 114.13 1qg3 s TYR 1187Ca 0.59 1.22 -0.16 0.00 -1.01 0.00 0.00 57.07 57.71 1qg3 s TYR 1187Cb -0.10 -2.58 -0.07 0.00 -0.11 0.00 0.00 41.96 39.10 1qg3 s TYR 1187CO 0.41 -0.17 0.97 -1.25 -1.11 0.00 0.00 175.55 174.40 1qg3 s PRO 1188N -3.81 3.91 -1.49 -1.71 0.04 -1.26 -4.00 135.00 126.68 1qg3 s PRO 1188Ca 0.54 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 1qg3 s PRO 1188Cb -0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1qg3 s PRO 1188CO 0.29 -0.28 0.16 0.98 0.04 0.00 0.00 177.00 178.19 1qg3 n TYR 1189N -1.65 -1.39 -4.61 0.56 9.36 -0.38 -4.81 117.16 114.23 1qg3 n TYR 1189Ca 0.06 0.63 -0.23 0.00 3.32 0.00 0.00 57.90 61.68 1qg3 n TYR 1189Cb 0.54 -3.10 -0.14 0.00 -0.63 0.00 0.00 39.34 36.01 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 -0.72 7.10 0.09 0.00 1.01 -1.26 -1.50 116.67 121.40 1qg3 s ASP 1191Ca 0.05 1.32 0.08 0.00 0.71 0.00 0.00 52.55 54.71 1qg3 s ASP 1191Cb -0.07 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1qg3 s ASP 1191CO 0.00 -0.00 -0.20 -0.31 0.21 0.00 0.00 175.17 174.87 1qg3 s TYR 1192N 0.14 1.69 0.16 4.23 2.02 0.69 -0.55 117.35 125.74 1qg3 s TYR 1192Ca 0.37 -0.42 0.11 0.00 -0.37 0.00 0.00 57.07 56.76 1qg3 s TYR 1192Cb -0.19 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1qg3 s TYR 1192CO 0.20 0.17 -0.25 -1.21 -1.57 0.00 0.00 175.55 172.90 1qg3 s GLU 1193N -1.81 1.50 -0.05 -0.62 2.02 -0.15 -0.78 118.70 118.81 1qg3 s GLU 1193Ca 0.05 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.33 1qg3 s GLU 1193Cb -0.10 -1.90 0.09 0.00 0.10 0.00 0.00 34.13 32.33 1qg3 s GLU 1193CO 0.04 0.43 0.80 0.00 0.02 0.00 0.00 175.26 176.55 1qg3 s MET 1194N -2.36 0.91 0.14 1.61 0.23 -0.50 -1.39 119.30 117.94 1qg3 s MET 1194Ca 0.18 0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 54.76 1qg3 s MET 1194Cb -0.09 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.64 1qg3 s MET 1194CO 0.08 -0.32 0.32 -1.59 -2.03 0.00 0.00 175.02 171.48 1qg3 s LYS 1195N -1.82 1.10 0.01 3.16 -2.85 -0.57 -1.73 119.74 117.04 1qg3 s LYS 1195Ca -0.04 -0.99 -0.02 0.00 -1.00 0.00 0.00 55.97 53.92 1qg3 s LYS 1195Cb -0.00 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1qg3 s LYS 1195CO 0.01 -0.41 0.02 0.54 0.10 0.00 0.00 175.35 175.61 1qg3 s VAL 1196N -3.90 0.08 0.30 1.79 0.11 -1.26 -1.32 120.40 116.21 1qg3 s VAL 1196Ca 0.10 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1qg3 s VAL 1196Cb 0.03 -0.27 -0.06 0.00 -1.53 0.00 0.00 36.38 34.55 1qg3 s VAL 1196CO -0.05 -0.39 0.04 0.00 -3.33 0.00 0.00 175.10 171.37 1qg3 s ALA 1198N -3.34 3.19 0.03 0.00 0.00 -1.26 -1.60 121.76 118.78 1qg3 s ALA 1198Ca 0.35 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 1qg3 s ALA 1198Cb 0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1qg3 s ALA 1198CO 0.14 0.22 0.08 1.52 0.00 0.00 0.00 175.76 177.72 1qg3 s TYR 1199N -2.36 0.21 0.00 0.00 -0.85 -1.09 -0.54 117.35 112.72 1qg3 s TYR 1199Ca 0.32 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 1qg3 s TYR 1199Cb -0.05 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.13 1qg3 s TYR 1199CO 0.20 -0.34 0.00 0.41 -1.52 0.00 0.00 175.55 174.30 1qg3 n GLY 1200N 0.91 4.18 0.29 5.49 0.00 -0.26 0.35 105.19 116.16 1qg3 n GLY 1200Ca -0.20 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 1.70 0.97 0.01 4.61 0.00 -1.99 -3.18 119.26 121.37 1qg3 h ALA 1201Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 1qg3 h ALA 1201Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1qg3 h ALA 1201CO 0.00 0.62 -1.00 1.96 0.00 0.00 0.00 179.25 180.83 1qg3 h GLN 1202N 0.84 0.01 0.00 0.00 7.50 -1.98 -3.50 115.11 117.99 1qg3 h GLN 1202Ca 0.15 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1qg3 h GLN 1202Cb 0.53 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1qg3 h GLN 1202CO 0.03 1.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.77 1qg3 n GLY 1203N 1.33 0.43 3.85 3.46 0.00 -1.20 -5.10 105.19 107.96 1qg3 n GLY 1203Ca -0.00 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 3.72 0.32 1.61 2.02 -1.26 -1.10 118.70 122.01 1qg3 s GLU 1204Ca 0.00 0.17 -0.01 0.00 0.02 0.00 0.00 54.97 55.15 1qg3 s GLU 1204Cb 0.00 -3.21 0.07 0.00 0.10 0.00 0.00 34.13 31.08 1qg3 s GLU 1204CO 0.00 0.72 0.44 0.41 0.02 0.00 0.00 175.26 176.85 1qg3 n GLY 1205N 1.93 0.36 3.79 -1.39 0.00 0.29 -4.96 105.19 105.22 1qg3 n GLY 1205Ca -0.17 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 1qg3 n GLY 1205CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qg3 s PRO 1206N -3.64 3.16 0.47 1.61 0.04 -1.26 -4.55 135.00 130.83 1qg3 s PRO 1206Ca 0.28 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 1qg3 s PRO 1206Cb -0.01 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1qg3 s PRO 1206CO 0.19 -0.95 1.01 0.71 0.04 0.00 0.00 177.00 178.00 1qg3 s TYR 1207N -2.36 3.09 1.26 0.56 2.02 -1.26 -4.28 117.35 116.38 1qg3 s TYR 1207Ca 0.65 1.59 -0.21 0.00 -0.37 0.00 0.00 57.07 58.73 1qg3 s TYR 1207Cb -0.18 -3.01 0.31 0.00 -0.40 0.00 0.00 41.96 38.68 1qg3 s TYR 1207CO 0.37 -0.63 1.10 -1.54 -1.57 0.00 0.00 175.55 173.29 1qg3 s SER 1208N -2.03 0.44 0.91 2.29 1.04 0.57 -4.84 113.70 112.08 1qg3 s SER 1208Ca 0.66 0.53 -0.12 0.00 0.48 0.00 0.00 55.95 57.49 1qg3 s SER 1208Cb -0.14 -0.69 0.14 0.00 0.10 0.00 0.00 66.02 65.43 1qg3 s SER 1208CO 0.18 -4.41 1.12 -0.94 0.98 0.00 0.00 173.24 170.17 1qg3 s SER 1209N -3.94 3.48 0.02 7.02 1.04 -1.26 -4.68 113.70 115.38 1qg3 s SER 1209Ca 0.72 1.06 -0.20 0.00 0.48 0.00 0.00 55.95 58.01 1qg3 s SER 1209Cb -0.08 -1.67 -0.06 0.00 0.10 0.00 0.00 66.02 64.31 1qg3 s SER 1209CO 0.56 -2.58 0.58 -0.22 0.98 0.00 0.00 173.24 172.56 1qg3 s LEU 1210N -6.08 4.46 0.17 2.42 1.98 -1.26 -4.64 118.68 115.73 1qg3 s LEU 1210Ca 0.64 1.19 0.10 0.00 -2.89 0.00 0.00 54.13 53.17 1qg3 s LEU 1210Cb -0.15 -2.91 -0.04 0.00 0.66 0.00 0.00 46.19 43.74 1qg3 s LEU 1210CO 0.54 0.16 -0.21 0.68 -1.89 0.00 0.00 176.35 175.63 1qg3 s VAL 1211N -0.51 2.04 0.17 1.68 -7.23 -0.71 -4.97 120.40 110.88 1qg3 s VAL 1211Ca 0.30 -1.92 0.10 0.00 -1.81 0.00 0.00 61.98 58.65 1qg3 s VAL 1211Cb -0.19 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1qg3 s VAL 1211CO 0.18 -0.19 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.12 1qg3 s SER 1212N -2.56 3.07 -0.24 4.85 0.01 -1.26 -1.41 113.70 116.15 1qg3 s SER 1212Ca 0.17 -0.85 -0.26 0.00 1.31 0.00 0.00 55.95 56.32 1qg3 s SER 1212Cb -0.07 -0.21 0.10 0.00 0.21 0.00 0.00 66.02 66.05 1qg3 s SER 1212CO 0.08 0.06 0.91 0.00 0.41 0.00 0.00 173.24 174.69 1qg3 s ARG 1214N -0.01 2.90 0.59 0.00 3.52 -1.26 -0.22 118.95 124.46 1qg3 s ARG 1214Ca 0.00 -0.47 -0.15 0.00 -0.13 0.00 0.00 55.73 54.98 1qg3 s ARG 1214Cb -0.04 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1qg3 s ARG 1214CO -0.02 0.68 1.04 0.95 -0.81 0.00 0.00 175.30 177.15 1qg3 s THR 1215N -0.90 3.99 0.93 4.11 -4.23 -0.56 -4.43 115.64 114.55 1qg3 s THR 1215Ca 0.14 0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 61.45 1qg3 s THR 1215Cb -0.11 -3.46 0.15 0.00 1.34 0.00 0.00 72.50 70.42 1qg3 s THR 1215CO 0.03 -0.59 1.10 -1.00 -0.54 0.00 0.00 174.62 173.63 1qg3 s HIS 1216N -2.56 1.91 0.75 3.99 0.09 -1.26 -3.01 115.29 115.21 1qg3 s HIS 1216Ca 0.62 1.49 -0.11 0.00 -0.00 0.00 0.00 55.06 57.06 1qg3 s HIS 1216Cb -0.15 -3.20 0.05 0.00 -0.00 0.00 0.00 32.58 29.28 1qg3 s HIS 1216CO 0.38 -2.74 1.12 -0.65 -0.00 0.00 0.00 174.74 172.86 1qg3 s GLN 1217N -4.73 2.43 0.01 1.40 -0.21 -1.26 -1.25 119.66 116.05 1qg3 s GLN 1217Ca 0.65 0.25 -0.03 0.00 0.02 0.00 0.00 55.36 56.26 1qg3 s GLN 1217Cb -0.21 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.79 1qg3 s GLN 1217CO 0.59 -1.29 0.04 -2.00 -2.12 0.00 0.00 175.29 170.51 1qg3 s GLU 1218N -5.44 0.36 0.59 2.91 2.56 -0.57 -4.76 118.70 114.35 1qg3 s GLU 1218Ca 0.60 -0.47 -0.18 0.00 0.00 0.00 0.00 54.97 54.91 1qg3 s GLU 1218Cb -0.11 0.14 -0.06 0.00 2.00 0.00 0.00 34.13 36.10 1qg3 s GLU 1218CO 0.50 -0.07 0.81 1.33 -0.56 0.00 0.00 175.26 177.26 1qg3 n VAL 1219N 1.65 3.20 -1.17 3.70 0.24 -1.26 -4.43 118.33 120.25 1qg3 n VAL 1219Ca -0.23 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 61.28 1qg3 n VAL 1219Cb 0.56 -0.98 0.16 0.00 -1.47 0.00 0.00 33.84 32.11 1qg3 n VAL 1219CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1qg3 s PRO 1220N -2.52 0.74 0.00 7.34 0.02 -1.24 -4.76 135.00 134.59 1qg3 s PRO 1220Ca 0.73 0.65 0.00 0.00 0.02 0.00 0.00 61.00 62.40 1qg3 s PRO 1220Cb -0.43 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1qg3 s PRO 1220CO 0.50 -2.55 0.00 -1.13 -0.33 0.00 0.00 177.00 173.48 1qg3 n SER 1221N -4.07 0.00 -4.78 2.53 3.41 0.01 -4.14 113.62 106.58 1qg3 n SER 1221Ca 0.06 -0.97 -0.35 0.00 -0.26 0.00 0.00 58.87 57.36 1qg3 n SER 1221Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1qg3 n SER 1221CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1qg3 s GLU 1222N -2.62 3.49 1.18 4.33 8.01 -1.26 -4.57 118.70 127.26 1qg3 s GLU 1222Ca 0.00 1.50 -0.17 0.00 0.01 0.00 0.00 54.97 56.31 1qg3 s GLU 1222Cb 0.00 -2.03 0.28 0.00 -4.31 0.00 0.00 34.13 28.06 1qg3 s GLU 1222CO 0.00 -0.72 1.06 -2.14 0.01 0.00 0.00 175.26 173.48 1qg3 s PRO 1223N -3.33 -1.07 0.91 0.39 0.02 -1.26 -3.94 135.00 126.72 1qg3 s PRO 1223Ca 0.70 0.23 -0.12 0.00 0.02 0.00 0.00 61.00 61.84 1qg3 s PRO 1223Cb -0.21 -1.59 0.13 0.00 0.02 0.00 0.00 34.50 32.86 1qg3 s PRO 1223CO 0.25 -3.67 1.09 0.20 -0.33 0.00 0.00 177.00 174.55 1qg3 s GLY 1224N -3.46 1.61 0.25 0.52 0.00 -0.04 -4.78 107.32 101.41 1qg3 s GLY 1224Ca 0.69 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.95 1qg3 s GLY 1224CO 0.58 0.36 1.35 -0.96 0.00 0.00 0.00 173.10 174.43 1qg3 n ARG 1225N -3.89 1.92 -2.17 2.90 0.00 -1.26 -4.33 116.66 109.83 1qg3 n ARG 1225Ca 0.07 0.68 -0.41 0.00 -0.00 0.00 0.00 57.85 58.19 1qg3 n ARG 1225Cb 0.56 -2.30 -0.03 0.00 -0.00 0.00 0.00 32.46 30.69 1qg3 n ARG 1225CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1qg3 s LEU 1226N 0.04 4.43 -0.04 2.89 1.43 -1.26 -4.59 118.68 121.59 1qg3 s LEU 1226Ca 0.67 2.54 0.06 0.00 -1.03 0.00 0.00 54.13 56.36 1qg3 s LEU 1226Cb -0.66 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1qg3 s LEU 1226CO 0.52 -0.52 -0.21 0.00 0.23 0.00 0.00 176.35 176.37 1qg3 s ALA 1227N -0.51 2.36 -0.05 4.21 0.00 -0.60 -4.99 121.76 122.18 1qg3 s ALA 1227Ca 0.53 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1qg3 s ALA 1227Cb -0.38 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 1qg3 s ALA 1227CO 0.45 0.51 -0.18 -0.06 0.00 0.00 0.00 175.76 176.48 1qg3 s PHE 1228N -0.53 1.78 -0.16 0.00 0.40 -1.26 -1.46 117.98 116.75 1qg3 s PHE 1228Ca 0.07 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1qg3 s PHE 1228Cb -0.11 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1qg3 s PHE 1228CO 0.01 -0.18 -0.16 1.21 0.70 0.00 0.00 175.22 176.79 1qg3 s ASN 1229N 0.05 3.52 -0.37 1.36 3.04 -0.65 -4.96 114.94 116.94 1qg3 s ASN 1229Ca -0.05 -0.52 -0.26 0.00 0.04 0.00 0.00 52.86 52.07 1qg3 s ASN 1229Cb -0.12 -1.54 0.02 0.00 -1.54 0.00 0.00 41.25 38.06 1qg3 s ASN 1229CO 0.03 0.06 0.96 -0.69 -3.04 0.00 0.00 177.10 174.41 1qg3 s VAL 1230N 0.96 4.55 -0.03 -5.21 1.01 -1.26 -0.88 120.40 119.53 1qg3 s VAL 1230Ca -0.03 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1qg3 s VAL 1230Cb -0.15 -4.36 -0.24 0.00 0.00 0.00 0.00 36.38 31.63 1qg3 s VAL 1230CO -0.03 -0.57 0.72 0.58 0.00 0.00 0.00 175.10 175.80 1qg3 h VAL 1231N 5.85 0.96 -2.42 2.92 2.07 -1.55 -3.49 116.25 120.59 1qg3 h VAL 1231Ca -0.23 -2.75 0.23 0.00 0.82 0.00 0.00 66.70 64.77 1qg3 h VAL 1231Cb 1.07 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 33.34 1qg3 h VAL 1231CO 1.00 0.66 0.71 -0.94 0.02 0.00 0.00 177.57 179.01 1qg3 s SER 1232N -6.45 0.01 0.10 0.57 1.04 -0.90 -4.93 113.70 103.14 1qg3 s SER 1232Ca -0.07 -0.52 0.12 0.00 0.48 0.00 0.00 55.95 55.95 1qg3 s SER 1232Cb 0.08 0.37 0.55 0.00 0.10 0.00 0.00 66.02 67.12 1qg3 s SER 1232CO 0.82 -0.75 1.37 -1.54 0.98 0.00 0.00 173.24 174.12 1qg3 n SER 1233N -1.22 0.21 0.00 7.02 3.41 -1.26 -2.65 113.62 119.13 1qg3 n SER 1233Ca -0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1qg3 n SER 1233Cb 0.59 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.75 0.34 -3.94 6.66 -2.24 -1.26 -4.27 114.28 107.81 1qg3 n THR 1234Ca 0.01 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 1qg3 n THR 1234Cb 0.09 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.34 0.11 0.06 2.28 1.01 -1.08 -1.40 120.40 121.03 1qg3 s VAL 1235Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1qg3 s VAL 1235Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 1qg3 s VAL 1235CO 0.00 0.03 0.06 0.28 0.00 0.00 0.00 175.10 175.47 1qg3 s THR 1236N -0.01 0.18 -0.24 3.92 -1.32 -0.41 -1.31 115.64 116.45 1qg3 s THR 1236Ca 0.00 -1.45 -0.04 0.00 -1.21 0.00 0.00 61.69 58.99 1qg3 s THR 1236Cb -0.01 -1.30 -0.00 0.00 -1.51 0.00 0.00 72.50 69.68 1qg3 s THR 1236CO -0.00 -0.80 -0.02 -1.10 -2.21 0.00 0.00 174.62 170.48 1qg3 s GLN 1237N -3.57 3.27 -0.20 7.08 -0.21 -0.06 -0.82 119.66 125.16 1qg3 s GLN 1237Ca 0.03 -0.70 -0.09 0.00 0.02 0.00 0.00 55.36 54.63 1qg3 s GLN 1237Cb 0.05 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 1qg3 s GLN 1237CO -0.09 -0.26 0.10 -1.17 -2.12 0.00 0.00 175.29 171.75 1qg3 s LEU 1238N 1.47 3.97 0.18 2.90 2.96 0.42 -1.63 118.68 128.95 1qg3 s LEU 1238Ca 0.05 0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 1qg3 s LEU 1238Cb -0.15 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1qg3 s LEU 1238CO -0.02 0.16 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.12 1qg3 s SER 1239N 0.49 2.09 -0.01 3.68 1.04 -0.53 0.24 113.70 120.70 1qg3 s SER 1239Ca 0.05 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.16 1qg3 s SER 1239Cb -0.12 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.01 1qg3 s SER 1239CO 0.00 -0.29 0.65 -1.66 0.98 0.00 0.00 173.24 172.92 1qg3 s TRP 1240N -3.20 -0.62 0.50 5.02 -2.14 -0.91 -1.55 118.94 116.05 1qg3 s TRP 1240Ca 0.20 0.93 -0.05 0.00 2.66 0.00 0.00 56.10 59.84 1qg3 s TRP 1240Cb 0.02 0.43 -0.02 0.00 -3.10 0.00 0.00 33.47 30.79 1qg3 s TRP 1240CO 0.04 -0.65 0.80 0.00 -2.66 0.00 0.00 176.95 174.47 1qg3 s ALA 1241N -1.73 3.41 0.46 2.67 0.00 -1.26 -4.80 121.76 120.50 1qg3 s ALA 1241Ca -0.09 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 1qg3 s ALA 1241Cb -0.00 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.50 1qg3 s ALA 1241CO 0.05 -0.45 1.25 -2.00 0.00 0.00 0.00 175.76 174.61 1qg3 s GLU 1242N -4.77 3.71 0.42 0.00 2.12 -1.26 -0.86 118.70 118.06 1qg3 s GLU 1242Ca 0.49 1.99 -0.23 0.00 0.36 0.00 0.00 54.97 57.58 1qg3 s GLU 1242Cb -0.10 -2.50 -0.12 0.00 0.26 0.00 0.00 34.13 31.67 1qg3 s GLU 1242CO 0.44 -0.65 0.73 -2.30 -0.54 0.00 0.00 175.26 172.94 1qg3 n PRO 1243N -0.38 0.85 0.21 4.30 -0.02 -1.26 -4.27 135.00 134.43 1qg3 n PRO 1243Ca 0.07 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1qg3 n PRO 1243Cb 0.46 -1.71 0.61 0.00 -0.02 0.00 0.00 33.50 32.84 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 1.06 1.96 -3.37 3.55 0.00 -1.90 -3.35 119.26 117.21 1qg3 h ALA 1244Ca -0.42 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.90 1qg3 h ALA 1244Cb 1.38 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.75 1qg3 h ALA 1244CO 0.54 0.03 -0.76 -1.21 0.00 0.00 0.00 179.25 177.84 1qg3 s GLU 1245N -5.14 1.03 0.16 0.00 8.01 -1.26 -4.99 118.70 116.52 1qg3 s GLU 1245Ca -0.06 -1.03 -0.04 0.00 0.01 0.00 0.00 54.97 53.85 1qg3 s GLU 1245Cb 0.17 -2.32 0.02 0.00 -4.31 0.00 0.00 34.13 27.70 1qg3 s GLU 1245CO 0.68 -0.81 1.42 1.79 0.01 0.00 0.00 175.26 178.35 1qg3 h THR 1246N 6.56 1.34 -2.48 3.63 1.35 -1.94 0.07 112.91 121.45 1qg3 h THR 1246Ca -0.14 -2.01 -0.29 0.00 -0.55 0.00 0.00 66.41 63.42 1qg3 h THR 1246Cb 1.05 1.98 -0.06 0.00 -1.73 0.00 0.00 68.15 69.39 1qg3 h THR 1246CO 0.44 0.62 -0.32 0.59 -0.25 0.00 0.00 175.52 176.60 1qg3 n ASN 1247N -3.89 -4.07 0.00 5.36 3.02 -1.26 -3.68 115.26 110.73 1qg3 n ASN 1247Ca -0.05 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1qg3 n ASN 1247Cb 0.69 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.27 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 -0.56 -0.53 3.21 7.41 0.00 -1.26 -1.51 105.19 111.96 1qg3 n GLY 1248Ca -0.16 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.72 2.50 0.03 1.61 2.56 -1.26 -5.03 118.70 117.40 1qg3 s GLU 1249Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 54.97 53.43 1qg3 s GLU 1249Cb 0.00 -3.29 -0.06 0.00 2.00 0.00 0.00 34.13 32.78 1qg3 s GLU 1249CO 0.00 -0.64 1.35 0.42 -0.56 0.00 0.00 175.26 175.83 1qg3 s ILE 1250N 1.31 3.71 -0.33 -3.70 1.01 -1.26 -3.89 121.20 118.05 1qg3 s ILE 1250Ca -0.04 1.15 0.07 0.00 0.00 0.00 0.00 60.65 61.84 1qg3 s ILE 1250Cb -0.20 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 1qg3 s ILE 1250CO 0.00 0.03 0.30 0.35 0.00 0.00 0.00 174.94 175.63 1qg3 n THR 1251N 4.37 0.00 -3.66 2.92 -2.24 0.09 -4.83 114.28 110.93 1qg3 n THR 1251Ca 0.12 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1qg3 n THR 1251Cb 0.44 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.69 -2.05 0.09 6.98 0.00 -1.21 -4.33 121.76 119.55 1qg3 s ALA 1252Ca 0.03 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1qg3 s ALA 1252Cb 0.05 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1qg3 s ALA 1252CO 0.29 -1.04 -0.06 0.71 0.00 0.00 0.00 175.76 175.66 1qg3 s TYR 1253N -2.70 0.82 -0.07 0.00 2.02 -0.89 -0.96 117.35 115.56 1qg3 s TYR 1253Ca 0.13 -0.87 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1qg3 s TYR 1253Cb 0.03 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 1qg3 s TYR 1253CO -0.02 -0.16 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.73 1qg3 s GLU 1254N -3.52 1.21 -0.14 -0.62 2.12 -0.12 -0.76 118.70 116.86 1qg3 s GLU 1254Ca 0.08 -0.20 -0.06 0.00 0.36 0.00 0.00 54.97 55.15 1qg3 s GLU 1254Cb 0.03 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 1qg3 s GLU 1254CO -0.05 -0.13 0.07 0.08 -0.54 0.00 0.00 175.26 174.70 1qg3 s VAL 1255N 1.18 4.91 0.00 3.70 1.01 -0.11 -2.23 120.40 128.85 1qg3 s VAL 1255Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1qg3 s VAL 1255Cb -0.14 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1qg3 s VAL 1255CO -0.02 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.53 1qg3 s TYR 1257N -0.36 -0.62 0.06 0.00 1.13 -0.42 -0.51 117.35 116.63 1qg3 s TYR 1257Ca 0.02 0.89 -0.28 0.00 -1.41 0.00 0.00 57.07 56.29 1qg3 s TYR 1257Cb -0.04 0.45 0.09 0.00 -1.10 0.00 0.00 41.96 41.36 1qg3 s TYR 1257CO -0.00 -0.68 1.07 0.20 -2.51 0.00 0.00 175.55 173.63 1qg3 s GLY 1258N -1.65 -0.32 0.41 5.49 0.00 -0.96 -0.13 107.32 110.16 1qg3 s GLY 1258Ca -0.07 0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.89 1qg3 s GLY 1258CO 0.03 0.11 1.20 1.08 0.00 0.00 0.00 173.10 175.53 1qg3 s LEU 1259N -2.85 4.18 0.12 0.66 2.01 -1.26 -0.74 118.68 120.80 1qg3 s LEU 1259Ca 0.12 2.42 0.06 0.00 0.01 0.00 0.00 54.13 56.74 1qg3 s LEU 1259Cb 0.01 -4.02 -0.04 0.00 0.01 0.00 0.00 46.19 42.15 1qg3 s LEU 1259CO -0.01 -0.75 -0.14 0.68 1.01 0.00 0.00 176.35 177.13 1qg3 s VAL 1260N -1.38 1.35 0.16 -1.59 -7.23 -1.09 -0.78 120.40 109.83 1qg3 s VAL 1260Ca 0.58 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1qg3 s VAL 1260Cb -0.32 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.10 1qg3 s VAL 1260CO 0.41 -0.42 0.22 -0.46 -0.31 0.00 0.00 175.10 174.54 1qg3 n ASN 1261N 0.50 0.02 0.20 4.85 0.23 0.36 -4.61 115.26 116.82 1qg3 n ASN 1261Ca -0.15 -1.08 0.14 0.00 -0.53 0.00 0.00 54.58 52.96 1qg3 n ASN 1261Cb 0.57 -0.17 0.65 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 -0.29 0.00 -0.49 0.53 3.32 -2.00 -0.76 116.42 116.74 1qg3 h ASP 1262Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1qg3 h ASP 1262Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1qg3 h ASP 1262CO 0.05 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.04 1qg3 n ASP 1263N -2.56 2.69 -0.76 6.45 8.00 -1.26 -4.90 116.55 124.20 1qg3 n ASP 1263Ca 0.00 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.42 1qg3 n ASP 1263Cb 0.19 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.97 -4.19 -4.69 -2.24 3.02 -0.29 -5.01 115.26 102.83 1qg3 n ASN 1264Ca 0.17 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.59 1qg3 n ASN 1264Cb 0.43 -2.57 -0.07 0.00 -0.61 0.00 0.00 39.78 36.95 1qg3 n ASN 1264CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1qg3 s ARG 1265N -2.85 4.20 0.16 3.52 3.52 -1.26 -4.74 118.95 121.51 1qg3 s ARG 1265Ca 0.00 0.12 -0.33 0.00 -0.13 0.00 0.00 55.73 55.39 1qg3 s ARG 1265Cb 0.00 -3.49 -0.16 0.00 -1.56 0.00 0.00 34.95 29.74 1qg3 s ARG 1265CO 0.00 0.08 1.21 -2.30 -0.81 0.00 0.00 175.30 173.48 1qg3 n PRO 1266N 4.08 1.20 -0.06 5.12 -0.02 -1.26 -0.48 135.00 143.58 1qg3 n PRO 1266Ca -0.10 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1qg3 n PRO 1266Cb 0.51 -1.96 0.03 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.71 0.88 -3.84 4.25 -5.35 0.04 -4.80 119.36 112.24 1qg3 n ILE 1267Ca 0.15 -0.96 -0.07 0.00 -0.27 0.00 0.00 62.75 61.61 1qg3 n ILE 1267Cb 0.24 0.45 -0.01 0.00 -1.74 0.00 0.00 39.64 38.59 1qg3 n ILE 1267CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qg3 s GLY 1268N -1.17 0.04 0.86 3.28 0.00 -1.25 -5.01 107.32 104.06 1qg3 s GLY 1268Ca 0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 1qg3 s GLY 1268CO 0.01 -0.12 1.17 -4.14 0.00 0.00 0.00 173.10 170.01 1qg3 s PRO 1269N -3.44 1.37 0.23 2.90 0.02 -1.26 -4.71 135.00 130.12 1qg3 s PRO 1269Ca 0.12 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 62.71 1qg3 s PRO 1269Cb -0.06 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.65 1qg3 s PRO 1269CO 0.08 -2.38 0.47 -1.64 -0.33 0.00 0.00 177.00 173.20 1qg3 s MET 1270N -4.46 3.61 -0.11 5.54 -1.94 -1.26 -4.58 119.30 116.09 1qg3 s MET 1270Ca 0.69 -0.10 -0.02 0.00 -1.71 0.00 0.00 55.69 54.55 1qg3 s MET 1270Cb -0.25 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1qg3 s MET 1270CO 0.55 0.33 -0.05 0.15 -0.01 0.00 0.00 175.02 175.99 1qg3 s LYS 1271N -3.24 3.24 -0.03 2.03 1.02 0.81 -4.92 119.74 118.64 1qg3 s LYS 1271Ca 0.42 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 55.93 1qg3 s LYS 1271Cb -0.11 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 1qg3 s LYS 1271CO 0.28 0.45 -0.19 0.15 -0.92 0.00 0.00 175.35 175.11 1qg3 s LYS 1272N -0.21 1.82 -0.11 1.68 1.02 -1.26 -1.31 119.74 121.38 1qg3 s LYS 1272Ca 0.03 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.33 1qg3 s LYS 1272Cb -0.13 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.57 1qg3 s LYS 1272CO 0.02 0.34 -0.07 0.08 -0.92 0.00 0.00 175.35 174.80 1qg3 s VAL 1273N -0.19 1.00 -0.14 3.17 1.01 0.43 -4.99 120.40 120.69 1qg3 s VAL 1273Ca 0.01 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 1qg3 s VAL 1273Cb -0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1qg3 s VAL 1273CO 0.01 0.36 0.75 -0.22 0.00 0.00 0.00 175.10 176.00 1qg3 s LEU 1274N 1.68 4.21 -0.47 3.92 1.98 -1.26 -0.94 118.68 127.81 1qg3 s LEU 1274Ca 0.04 1.11 -0.12 0.00 -2.89 0.00 0.00 54.13 52.28 1qg3 s LEU 1274Cb -0.13 -3.12 0.10 0.00 0.66 0.00 0.00 46.19 43.71 1qg3 s LEU 1274CO -0.08 -0.28 0.37 -0.69 -1.89 0.00 0.00 176.35 173.78 1qg3 s VAL 1275N 1.66 4.63 0.27 1.68 1.01 0.06 -4.95 120.40 124.75 1qg3 s VAL 1275Ca 0.36 -1.49 0.12 0.00 0.00 0.00 0.00 61.98 60.97 1qg3 s VAL 1275Cb -0.17 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1qg3 s VAL 1275CO 0.14 -0.69 1.65 0.44 0.00 0.00 0.00 175.10 176.64 1qg3 h ASP 1276N 8.60 0.00 -3.13 3.32 3.32 -1.87 -2.38 116.42 124.28 1qg3 h ASP 1276Ca -0.25 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.05 1qg3 h ASP 1276Cb 1.09 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.40 1qg3 h ASP 1276CO 0.88 0.56 -0.24 0.21 -1.72 0.00 0.00 179.24 178.92 1qg3 s ASN 1277N -6.79 6.16 0.47 6.45 2.47 -1.26 -4.62 114.94 117.81 1qg3 s ASN 1277Ca -0.01 -1.73 0.19 0.00 0.42 0.00 0.00 52.86 51.73 1qg3 s ASN 1277Cb 0.13 -2.20 1.02 0.00 -1.45 0.00 0.00 41.25 38.75 1qg3 s ASN 1277CO 0.75 -0.82 1.51 1.55 -3.72 0.00 0.00 177.10 176.37 1qg3 h PRO 1278N 8.85 0.00 0.00 0.43 0.13 -1.80 0.25 132.00 139.86 1qg3 h PRO 1278Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qg3 h PRO 1278Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qg3 h PRO 1278CO 1.01 0.00 -0.58 0.87 -0.23 0.00 0.00 178.00 179.06 1qg3 h LYS 1279N 0.00 0.00 -4.81 0.86 6.56 -1.95 -3.40 116.57 113.83 1qg3 h LYS 1279Ca 0.00 0.00 -0.73 0.00 -1.06 0.00 0.00 60.65 58.86 1qg3 h LYS 1279Cb 0.69 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.19 1qg3 h LYS 1279CO 0.00 0.00 1.59 -1.71 -2.06 0.00 0.00 179.45 177.27 1qg3 n ASN 1280N -2.42 5.14 -2.03 0.86 4.05 0.89 -4.82 115.26 116.94 1qg3 n ASN 1280Ca 0.03 -2.98 -0.22 0.00 0.45 0.00 0.00 54.58 51.86 1qg3 n ASN 1280Cb 0.48 -1.59 0.05 0.00 1.23 0.00 0.00 39.78 39.95 1qg3 n ASN 1280CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1qg3 n ARG 1281N 5.95 2.07 -3.75 1.20 1.74 -1.26 -4.82 116.66 117.79 1qg3 n ARG 1281Ca 0.39 -2.09 -0.12 0.00 -0.77 0.00 0.00 57.85 55.26 1qg3 n ARG 1281Cb 0.43 -1.82 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 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 -2.44 0.34 -0.03 5.56 1.75 -1.26 -2.13 119.30 121.10 1qg3 s MET 1282Ca 0.41 0.50 0.01 0.00 -1.25 0.00 0.00 55.69 55.37 1qg3 s MET 1282Cb 0.32 0.10 0.01 0.00 2.84 0.00 0.00 34.83 38.11 1qg3 s MET 1282CO -0.01 -0.08 -0.05 -1.17 -0.65 0.00 0.00 175.02 173.07 1qg3 s LEU 1283N 0.53 1.57 -0.11 4.11 2.96 0.14 -4.96 118.68 122.92 1qg3 s LEU 1283Ca -0.03 -0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 53.56 1qg3 s LEU 1283Cb -0.04 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 1qg3 s LEU 1283CO -0.03 -0.01 0.61 -0.22 -1.32 0.00 0.00 176.35 175.38 1qg3 s LEU 1284N 0.51 4.27 -0.15 -0.68 2.96 -1.26 -0.43 118.68 123.90 1qg3 s LEU 1284Ca -0.06 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1qg3 s LEU 1284Cb -0.10 -2.91 0.02 0.00 0.50 0.00 0.00 46.19 43.70 1qg3 s LEU 1284CO -0.00 -0.11 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.13 1qg3 s ILE 1285N 0.97 1.69 0.49 6.68 1.01 0.00 -5.00 121.20 127.05 1qg3 s ILE 1285Ca 0.32 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1qg3 s ILE 1285Cb -0.16 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 1qg3 s ILE 1285CO 0.14 0.48 0.01 -1.84 0.00 0.00 0.00 174.94 173.73 1qg3 n GLU 1286N 4.63 0.77 -1.75 2.79 0.28 -1.26 -1.29 120.64 124.81 1qg3 n GLU 1286Ca -0.18 -3.64 -0.14 0.00 -0.16 0.00 0.00 57.16 53.03 1qg3 n GLU 1286Cb 0.50 1.06 -0.04 0.00 1.43 0.00 0.00 31.44 34.39 1qg3 n GLU 1286CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qg3 n ASN 1287N -1.32 -4.57 -4.78 -1.84 3.02 -0.97 -4.96 115.26 99.85 1qg3 n ASN 1287Ca -0.20 0.21 -0.38 0.00 -0.03 0.00 0.00 54.58 54.19 1qg3 n ASN 1287Cb 0.63 -3.48 -0.04 0.00 -0.61 0.00 0.00 39.78 36.28 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 -3.56 4.26 0.03 3.41 1.43 -0.49 -4.97 118.68 118.78 1qg3 s LEU 1288Ca 0.00 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 1qg3 s LEU 1288Cb 0.00 -4.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.13 1qg3 s LEU 1288CO 0.00 -0.36 1.51 -0.13 0.23 0.00 0.00 176.35 177.59 1qg3 s ARG 1289N -2.18 4.25 0.20 1.70 0.52 -1.26 -4.51 118.95 117.66 1qg3 s ARG 1289Ca 0.54 2.12 -0.32 0.00 -0.52 0.00 0.00 55.73 57.54 1qg3 s ARG 1289Cb -0.24 -3.58 -0.14 0.00 0.52 0.00 0.00 34.95 31.50 1qg3 s ARG 1289CO 0.31 -0.64 1.39 0.39 0.02 0.00 0.00 175.30 176.76 1qg3 n GLU 1290N 5.47 1.82 -2.01 3.54 1.02 -1.26 -2.66 120.64 126.56 1qg3 n GLU 1290Ca 0.14 0.65 -0.18 0.00 -0.02 0.00 0.00 57.16 57.76 1qg3 n GLU 1290Cb 0.42 -2.30 -0.04 0.00 -0.02 0.00 0.00 31.44 29.51 1qg3 n GLU 1290CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1qg3 n SER 1291N 2.40 -4.93 -4.53 1.62 7.64 -1.26 -4.99 113.62 109.57 1qg3 n SER 1291Ca 0.14 0.23 -0.32 0.00 1.01 0.00 0.00 58.87 59.93 1qg3 n SER 1291Cb 0.29 -4.26 -0.12 0.00 -1.01 0.00 0.00 64.21 59.11 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 -4.34 2.47 0.37 1.43 -1.52 -1.09 -4.91 119.66 112.07 1qg3 s GLN 1292Ca 0.00 -0.74 -0.25 0.00 -1.95 0.00 0.00 55.36 52.43 1qg3 s GLN 1292Cb 0.00 -2.41 -0.10 0.00 -0.22 0.00 0.00 33.01 30.28 1qg3 s GLN 1292CO 0.00 0.61 0.99 -1.25 -0.25 0.00 0.00 175.29 175.39 1qg3 s PRO 1293N -1.11 4.37 0.04 2.91 0.04 -1.26 -4.47 135.00 135.51 1qg3 s PRO 1293Ca 0.14 1.40 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1qg3 s PRO 1293Cb -0.11 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1qg3 s PRO 1293CO 0.04 0.07 -0.12 0.71 0.04 0.00 0.00 177.00 177.74 1qg3 s TYR 1294N -1.69 1.02 -0.22 0.56 1.51 0.36 -2.68 117.35 116.21 1qg3 s TYR 1294Ca 0.55 -0.36 -0.09 0.00 -1.01 0.00 0.00 57.07 56.15 1qg3 s TYR 1294Cb -0.19 -0.61 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1qg3 s TYR 1294CO 0.25 0.01 0.13 0.50 -1.11 0.00 0.00 175.55 175.32 1qg3 s ARG 1295N -1.18 4.03 -0.02 -0.62 3.52 0.08 -0.99 118.95 123.77 1qg3 s ARG 1295Ca -0.01 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 1qg3 s ARG 1295Cb -0.08 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1qg3 s ARG 1295CO 0.01 0.12 -0.16 0.71 -0.81 0.00 0.00 175.30 175.17 1qg3 s TYR 1296N 0.85 2.63 0.01 5.12 1.51 0.73 -2.26 117.35 125.94 1qg3 s TYR 1296Ca 0.06 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1qg3 s TYR 1296Cb -0.13 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1qg3 s TYR 1296CO 0.03 0.19 0.00 0.95 -1.11 0.00 0.00 175.55 175.60 1qg3 s THR 1297N -0.78 0.09 -0.03 -0.71 -4.23 0.33 -1.31 115.64 109.00 1qg3 s THR 1297Ca 0.12 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1qg3 s THR 1297Cb -0.11 -0.25 0.01 0.00 1.34 0.00 0.00 72.50 73.50 1qg3 s THR 1297CO 0.02 -0.40 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.96 1qg3 s VAL 1298N -1.20 0.52 0.07 2.29 1.01 -0.65 -1.21 120.40 121.22 1qg3 s VAL 1298Ca -0.13 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1qg3 s VAL 1298Cb -0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1qg3 s VAL 1298CO -0.00 0.20 -0.12 -1.59 0.00 0.00 0.00 175.10 173.58 1qg3 s LYS 1299N 0.60 0.76 0.15 2.72 -2.85 -0.95 -0.89 119.74 119.28 1qg3 s LYS 1299Ca -0.08 -0.94 0.09 0.00 -1.00 0.00 0.00 55.97 54.04 1qg3 s LYS 1299Cb -0.11 -0.68 -0.04 0.00 -2.06 0.00 0.00 37.83 34.94 1qg3 s LYS 1299CO 0.00 0.14 -0.14 0.00 0.10 0.00 0.00 175.35 175.45 1qg3 s ALA 1300N -1.43 2.81 0.04 0.59 0.00 -1.26 -0.94 121.76 121.56 1qg3 s ALA 1300Ca -0.03 -1.42 0.07 0.00 0.00 0.00 0.00 51.96 50.58 1qg3 s ALA 1300Cb -0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1qg3 s ALA 1300CO 0.02 0.53 -0.22 0.50 0.00 0.00 0.00 175.76 176.59 1qg3 s ARG 1301N -2.50 1.49 0.00 0.00 3.52 -0.14 -1.00 118.95 120.32 1qg3 s ARG 1301Ca 0.22 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1qg3 s ARG 1301Cb -0.10 -1.59 0.00 0.00 -1.56 0.00 0.00 34.95 31.71 1qg3 s ARG 1301CO 0.13 0.41 0.00 0.27 -0.81 0.00 0.00 175.30 175.30 1qg3 n ASN 1302N 1.94 0.01 0.13 -2.12 0.23 -0.74 -0.73 115.26 113.98 1qg3 n ASN 1302Ca -0.17 -0.33 0.11 0.00 -0.53 0.00 0.00 54.58 53.66 1qg3 n ASN 1302Cb 0.53 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.85 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 0.12 1.49 4.83 0.00 -1.93 -1.82 103.07 105.77 1qg3 h GLY 1303Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1qg3 h GLY 1303CO 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 176.54 176.36 1qg3 n ALA 1304N -2.56 2.87 0.00 3.60 0.00 -1.26 -5.04 120.51 118.12 1qg3 n ALA 1304Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1qg3 n ALA 1304Cb 0.25 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.48 0.56 3.83 0.00 0.00 -0.68 -4.65 105.19 105.73 1qg3 n GLY 1305Ca 0.07 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.08 3.61 0.05 1.61 0.52 -1.26 -1.78 118.94 121.61 1qg3 s TRP 1306Ca 0.00 1.21 0.01 0.00 0.02 0.00 0.00 56.10 57.34 1qg3 s TRP 1306Cb 0.00 -2.49 0.01 0.00 -1.15 0.00 0.00 33.47 29.84 1qg3 s TRP 1306CO 0.00 0.37 0.07 0.41 0.02 0.00 0.00 176.95 177.81 1qg3 n GLY 1307N 0.69 2.17 3.77 0.98 0.00 -0.17 -4.80 105.19 107.82 1qg3 n GLY 1307Ca -0.03 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.24 2.20 0.16 1.61 0.04 -1.26 -4.58 135.00 130.94 1qg3 s PRO 1308Ca 0.05 1.10 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1qg3 s PRO 1308Cb -0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1qg3 s PRO 1308CO 0.03 -1.66 0.42 -1.21 0.04 0.00 0.00 177.00 174.62 1qg3 s GLU 1309N -4.92 3.67 -0.16 4.56 2.02 -1.26 -4.28 118.70 118.32 1qg3 s GLU 1309Ca 0.61 0.01 -0.08 0.00 0.02 0.00 0.00 54.97 55.52 1qg3 s GLU 1309Cb -0.17 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1qg3 s GLU 1309CO 0.56 0.44 0.12 0.50 0.02 0.00 0.00 175.26 176.90 1qg3 s ARG 1310N -2.66 3.83 0.22 1.61 6.06 -0.07 -4.91 118.95 123.02 1qg3 s ARG 1310Ca 0.42 -0.20 0.10 0.00 -2.50 0.00 0.00 55.73 53.55 1qg3 s ARG 1310Cb -0.12 -3.29 -0.05 0.00 0.06 0.00 0.00 34.95 31.56 1qg3 s ARG 1310CO 0.24 0.51 -0.19 -2.00 -2.50 0.00 0.00 175.30 171.36 1qg3 s GLU 1311N -0.26 1.46 -0.28 5.12 2.12 -1.26 -1.64 118.70 123.96 1qg3 s GLU 1311Ca 0.11 -1.59 -0.22 0.00 0.36 0.00 0.00 54.97 53.63 1qg3 s GLU 1311Cb -0.12 -1.49 0.08 0.00 0.26 0.00 0.00 34.13 32.86 1qg3 s GLU 1311CO 0.01 0.29 0.76 0.00 -0.54 0.00 0.00 175.26 175.77 1qg3 s ALA 1312N -2.39 -1.85 -0.26 6.30 0.00 -0.42 -4.76 121.76 118.37 1qg3 s ALA 1312Ca 0.23 2.14 -0.08 0.00 0.00 0.00 0.00 51.96 54.25 1qg3 s ALA 1312Cb -0.04 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1qg3 s ALA 1312CO 0.10 -0.34 0.10 0.42 0.00 0.00 0.00 175.76 176.03 1qg3 s ILE 1313N 0.79 4.47 -0.00 0.00 -1.09 -1.26 -0.19 121.20 123.92 1qg3 s ILE 1313Ca -0.03 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1qg3 s ILE 1313Cb -0.05 -3.13 -0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1qg3 s ILE 1313CO -0.07 0.29 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.25 1qg3 s ILE 1314N 1.63 0.42 -0.25 2.92 -1.09 -0.16 -4.95 121.20 119.72 1qg3 s ILE 1314Ca 0.06 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1qg3 s ILE 1314Cb -0.15 -0.36 0.07 0.00 -1.58 0.00 0.00 42.46 40.43 1qg3 s ILE 1314CO 0.05 0.12 -0.02 0.21 -1.23 0.00 0.00 174.94 174.07 1qg3 s ASN 1315N -0.10 3.87 0.63 3.58 3.84 -1.26 -0.49 114.94 125.01 1qg3 s ASN 1315Ca 0.02 -1.28 0.28 0.00 0.21 0.00 0.00 52.86 52.09 1qg3 s ASN 1315Cb -0.02 -1.14 1.47 0.00 -0.55 0.00 0.00 41.25 41.01 1qg3 s ASN 1315CO -0.00 -0.27 1.86 -0.07 -2.79 0.00 0.00 177.10 175.83 1qg3 h LEU 1316N 7.96 0.00 -0.26 3.21 3.38 -1.91 -0.04 115.31 127.65 1qg3 h LEU 1316Ca -0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1qg3 h LEU 1316Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1qg3 h LEU 1316CO 0.42 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.63 1qg3 h ALA 1317N 1.33 0.83 -0.40 1.53 0.00 -1.90 -3.25 119.26 117.40 1qg3 h ALA 1317Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qg3 h ALA 1317Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qg3 h ALA 1317CO -0.00 0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.89 1qg3 n THR 1318N -3.23 1.81 -3.20 0.00 -2.24 -0.04 -4.99 114.28 102.40 1qg3 n THR 1318Ca 0.02 -1.42 -0.32 0.00 -2.27 0.00 0.00 64.05 60.06 1qg3 n THR 1318Cb 0.62 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1qg3 n THR 1318CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qg3 s GLN 1319N -2.03 3.96 0.00 -0.78 -1.52 -1.14 -4.98 119.66 113.16 1qg3 s GLN 1319Ca 0.39 0.58 0.19 0.00 -1.95 0.00 0.00 55.36 54.57 1qg3 s GLN 1319Cb 0.28 -2.48 1.13 0.00 -0.22 0.00 0.00 33.01 31.72 1qg3 s GLN 1319CO 0.15 0.19 1.52 -2.30 -0.25 0.00 0.00 175.29 174.61