#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqb s LYS 1229N 0.00 0.31 -0.11 5.56 1.02 -1.26 -5.15 119.74 120.11 2nqb s LYS 1229Ca 0.00 0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.35 2nqb s LYS 1229Cb 0.00 -0.68 0.01 0.00 -0.52 0.00 0.00 37.83 36.64 2nqb s LYS 1229CO 0.00 -0.72 -0.17 0.50 -0.92 0.00 0.00 175.35 174.04 2nqb s ARG 1230N 2.47 2.42 -0.11 1.68 3.52 -1.26 -5.11 118.95 122.56 2nqb s ARG 1230Ca 0.11 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 2nqb s ARG 1230Cb -0.15 -2.01 0.02 0.00 -1.56 0.00 0.00 34.95 31.25 2nqb s ARG 1230CO -0.18 -0.04 -0.09 -1.59 -0.81 0.00 0.00 175.30 172.59 2nqb s LYS 1231N 0.91 1.60 0.69 5.12 -2.85 -1.26 -5.14 119.74 118.81 2nqb s LYS 1231Ca -0.07 -0.30 -0.11 0.00 -1.00 0.00 0.00 55.97 54.49 2nqb s LYS 1231Cb -0.15 -1.58 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 2nqb s LYS 1231CO -0.01 -0.21 1.06 -1.21 0.10 0.00 0.00 175.35 175.07 2nqb s GLU 1232N 1.50 3.02 0.07 1.78 2.02 -1.26 -5.08 118.70 120.76 2nqb s GLU 1232Ca 0.01 0.91 -0.27 0.00 0.02 0.00 0.00 54.97 55.65 2nqb s GLU 1232Cb -0.13 -2.00 0.08 0.00 0.10 0.00 0.00 34.13 32.18 2nqb s GLU 1232CO -0.06 -1.03 0.92 -1.54 0.02 0.00 0.00 175.26 173.57 2nqb s SER 1233N -3.86 -0.28 0.00 -0.19 1.04 -1.26 -5.02 113.70 104.13 2nqb s SER 1233Ca 0.58 -0.18 0.19 0.00 0.48 0.00 0.00 55.95 57.02 2nqb s SER 1233Cb -0.14 0.43 0.70 0.00 0.10 0.00 0.00 66.02 67.11 2nqb s SER 1233CO 0.55 -0.75 1.51 -1.22 0.98 0.00 0.00 173.24 174.31 2nqb n TYR 1234N -0.35 0.24 -0.27 5.02 4.02 -1.26 -4.56 117.16 120.00 2nqb n TYR 1234Ca -0.08 -0.12 0.01 0.00 -0.01 0.00 0.00 57.90 57.70 2nqb n TYR 1234Cb 0.61 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.01 2nqb n TYR 1234CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nqb h ALA 1235N 3.99 0.40 -0.14 -0.72 0.00 -1.95 0.16 119.26 120.99 2nqb h ALA 1235Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2nqb h ALA 1235Cb 0.47 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2nqb h ALA 1235CO 0.00 -0.47 -0.25 -0.84 0.00 0.00 0.00 179.25 177.69 2nqb h ILE 1236N -0.03 1.24 -0.02 0.00 3.07 -2.00 0.11 117.51 119.89 2nqb h ILE 1236Ca 0.35 -1.12 -0.23 0.00 1.55 0.00 0.00 64.86 65.41 2nqb h ILE 1236Cb 0.57 1.42 0.01 0.00 -0.27 0.00 0.00 36.82 38.54 2nqb h ILE 1236CO -0.80 0.34 -0.93 1.88 -1.05 0.00 0.00 178.15 177.59 2nqb h TYR 1237N 0.23 0.73 -0.48 0.16 -1.99 -1.51 -2.02 116.97 112.09 2nqb h TYR 1237Ca 0.04 -0.38 -0.04 0.00 2.00 0.00 0.00 58.73 60.35 2nqb h TYR 1237Cb 0.57 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 2nqb h TYR 1237CO 0.01 1.20 0.16 0.82 -0.00 0.00 0.00 178.16 180.35 2nqb h ILE 1238N 0.29 1.22 -0.67 -2.88 2.04 -0.34 -1.93 117.51 115.24 2nqb h ILE 1238Ca -0.08 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.07 2nqb h ILE 1238Cb 1.56 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 2nqb h ILE 1238CO 0.17 0.27 0.43 0.22 0.00 0.00 0.00 178.15 179.23 2nqb h TYR 1239N 0.63 0.80 -0.22 1.37 3.20 -0.72 0.41 116.97 122.45 2nqb h TYR 1239Ca 0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2nqb h TYR 1239Cb 0.25 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2nqb h TYR 1239CO 0.01 0.48 0.13 1.15 -1.64 0.00 0.00 178.16 178.30 2nqb h THR 1240N 0.85 1.08 -0.51 1.81 2.02 -1.11 -1.71 112.91 115.34 2nqb h THR 1240Ca 0.26 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2nqb h THR 1240Cb -0.03 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2nqb h THR 1240CO -0.08 0.08 0.17 0.58 0.37 0.00 0.00 175.52 176.64 2nqb h VAL 1241N 0.27 1.20 -0.45 3.16 2.07 -0.92 -2.19 116.25 119.39 2nqb h VAL 1241Ca 0.08 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2nqb h VAL 1241Cb 0.01 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2nqb h VAL 1241CO -0.02 0.25 0.27 0.25 0.02 0.00 0.00 177.57 178.35 2nqb h LEU 1242N 0.73 0.53 -2.06 2.57 5.85 -0.41 -1.94 115.31 120.59 2nqb h LEU 1242Ca 0.17 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2nqb h LEU 1242Cb 0.20 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2nqb h LEU 1242CO -0.01 0.43 -0.09 0.11 -0.34 0.00 0.00 178.44 178.54 2nqb h LYS 1243N 0.60 0.00 -0.04 1.25 1.79 -0.77 0.28 116.57 119.68 2nqb h LYS 1243Ca 0.16 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.44 2nqb h LYS 1243Cb -0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2nqb h LYS 1243CO -0.03 0.09 -0.81 1.96 -1.08 0.00 0.00 179.45 179.58 2nqb h GLN 1244N 0.00 0.34 0.01 3.15 4.20 -0.78 -2.91 115.11 119.13 2nqb h GLN 1244Ca -0.00 -0.32 -0.31 0.00 0.06 0.00 0.00 58.65 58.08 2nqb h GLN 1244Cb 0.24 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 2nqb h GLN 1244CO 0.01 0.98 -1.89 1.33 -0.67 0.00 0.00 178.83 178.59 2nqb n VAL 1245N -3.78 1.57 -3.39 -0.54 0.24 -0.89 -4.70 118.33 106.85 2nqb n VAL 1245Ca -0.05 -0.80 -0.26 0.00 -2.04 0.00 0.00 64.34 61.19 2nqb n VAL 1245Cb 0.75 -0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 32.07 2nqb n VAL 1245CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2nqb s HIS 1246N -2.57 0.81 0.39 6.34 3.76 0.94 -5.01 115.29 119.95 2nqb s HIS 1246Ca -0.07 -1.99 0.18 0.00 -0.15 0.00 0.00 55.06 53.02 2nqb s HIS 1246Cb 0.07 -0.84 1.10 0.00 1.11 0.00 0.00 32.58 34.02 2nqb s HIS 1246CO 0.82 -0.85 1.76 -1.35 -0.85 0.00 0.00 174.74 174.26 2nqb h PRO 1247N 6.07 0.39 -0.57 8.40 0.11 -1.69 -2.36 132.00 142.34 2nqb h PRO 1247Ca 0.19 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.98 2nqb h PRO 1247Cb 0.94 -0.09 -0.18 0.00 0.11 0.00 0.00 31.00 31.79 2nqb h PRO 1247CO 0.32 0.26 0.14 -0.25 -0.21 0.00 0.00 178.00 178.25 2nqb n ASP 1248N -4.66 2.98 -4.41 -2.05 8.00 -1.26 -4.91 116.55 110.23 2nqb n ASP 1248Ca 0.26 -3.75 -0.32 0.00 0.71 0.00 0.00 54.79 51.70 2nqb n ASP 1248Cb 0.89 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 2nqb n ASP 1248CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2nqb s THR 1249N -3.33 2.67 0.00 -3.53 2.01 -0.89 -5.13 115.64 107.44 2nqb s THR 1249Ca 0.49 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.59 2nqb s THR 1249Cb 0.43 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2nqb s THR 1249CO 0.03 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 2nqb n GLY 1250N 2.30 2.59 3.36 4.40 0.00 -1.26 -4.85 105.19 111.72 2nqb n GLY 1250Ca -0.17 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.61 2nqb n GLY 1250CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2nqb s ILE 1251N 0.70 -0.01 0.72 -0.61 2.07 -1.26 -5.14 121.20 117.66 2nqb s ILE 1251Ca 0.00 0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.19 2nqb s ILE 1251Cb 0.00 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 41.93 2nqb s ILE 1251CO 0.00 0.02 1.07 -0.94 -1.91 0.00 0.00 174.94 173.18 2nqb s SER 1252N 1.14 5.12 0.32 4.50 1.04 -1.26 -4.84 113.70 119.73 2nqb s SER 1252Ca -0.07 1.69 0.01 0.00 0.48 0.00 0.00 55.95 58.06 2nqb s SER 1252Cb -0.07 -2.50 0.55 0.00 0.10 0.00 0.00 66.02 64.10 2nqb s SER 1252CO -0.10 -1.62 1.93 0.77 0.98 0.00 0.00 173.24 175.20 2nqb h SER 1253N -0.80 0.72 -0.39 7.02 4.64 -2.01 -0.95 113.55 121.79 2nqb h SER 1253Ca -0.44 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 2nqb h SER 1253Cb 1.22 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2nqb h SER 1253CO 0.55 0.61 0.11 0.11 -0.87 0.00 0.00 176.83 177.34 2nqb h LYS 1254N 0.80 0.62 -0.73 4.77 1.57 -1.99 0.11 116.57 121.73 2nqb h LYS 1254Ca 0.20 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2nqb h LYS 1254Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2nqb h LYS 1254CO -0.03 0.64 0.24 0.00 -0.57 0.00 0.00 179.45 179.73 2nqb h ALA 1255N 0.95 1.05 -0.64 3.86 0.00 -1.84 -0.71 119.26 121.94 2nqb h ALA 1255Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2nqb h ALA 1255Cb 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2nqb h ALA 1255CO -0.00 0.65 0.23 1.98 0.00 0.00 0.00 179.25 182.10 2nqb h MET 1256N 1.08 0.95 -0.63 0.00 1.85 -0.81 0.46 114.93 117.82 2nqb h MET 1256Ca 0.24 -0.17 -0.04 0.00 -0.61 0.00 0.00 59.70 59.12 2nqb h MET 1256Cb 0.28 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 2nqb h MET 1256CO -0.01 0.79 0.24 1.03 -0.40 0.00 0.00 176.91 178.56 2nqb h SER 1257N 0.92 0.89 -0.69 1.39 0.87 0.02 0.10 113.55 117.05 2nqb h SER 1257Ca 0.21 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 2nqb h SER 1257Cb 0.22 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 2nqb h SER 1257CO -0.01 0.82 0.26 0.40 -0.53 0.00 0.00 176.83 177.77 2nqb h ILE 1258N 0.89 1.25 -0.34 2.23 2.04 -0.42 -1.10 117.51 122.06 2nqb h ILE 1258Ca 0.21 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 2nqb h ILE 1258Cb 0.22 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2nqb h ILE 1258CO -0.01 0.32 -0.21 0.24 0.00 0.00 0.00 178.15 178.49 2nqb h MET 1259N 1.04 0.65 -0.47 2.37 2.86 -0.30 -0.90 114.93 120.18 2nqb h MET 1259Ca 0.24 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2nqb h MET 1259Cb 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2nqb h MET 1259CO -0.02 0.82 -0.03 -0.97 1.06 0.00 0.00 176.91 177.77 2nqb h ASN 1260N 0.58 0.83 -0.71 1.22 -1.24 -0.46 -1.58 115.58 114.22 2nqb h ASN 1260Ca 0.09 -0.32 -0.04 0.00 0.71 0.00 0.00 56.30 56.73 2nqb h ASN 1260Cb 0.68 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 2nqb h ASN 1260CO 0.05 0.96 0.30 0.28 -1.29 0.00 0.00 177.43 177.73 2nqb h SER 1261N 0.69 0.98 -0.13 1.15 0.02 -1.00 -2.22 113.55 113.05 2nqb h SER 1261Ca 0.13 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2nqb h SER 1261Cb 0.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2nqb h SER 1261CO 0.03 0.87 0.05 0.15 -1.14 0.00 0.00 176.83 176.79 2nqb h PHE 1262N 1.05 0.20 -0.73 3.45 3.57 -0.88 0.18 116.94 123.78 2nqb h PHE 1262Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2nqb h PHE 1262Cb 0.18 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2nqb h PHE 1262CO 0.02 0.28 0.43 0.28 -2.23 0.00 0.00 178.31 177.09 2nqb h VAL 1263N 0.06 1.21 -0.42 1.41 2.07 -1.21 -0.92 116.25 118.46 2nqb h VAL 1263Ca 0.04 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 2nqb h VAL 1263Cb 0.17 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2nqb h VAL 1263CO -0.00 0.22 -0.11 0.78 0.02 0.00 0.00 177.57 178.48 2nqb h ASN 1264N 1.00 0.73 -0.35 0.57 2.35 -1.27 -1.26 115.58 117.35 2nqb h ASN 1264Ca 0.26 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2nqb h ASN 1264Cb -0.02 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2nqb h ASN 1264CO -0.05 0.86 0.08 -0.78 -1.65 0.00 0.00 177.43 175.89 2nqb h ASP 1265N 0.67 0.54 -0.30 5.81 3.58 -0.46 -1.64 116.42 124.63 2nqb h ASP 1265Ca 0.12 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2nqb h ASP 1265Cb 0.57 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2nqb h ASP 1265CO 0.04 0.64 0.17 0.40 -2.88 0.00 0.00 179.24 177.61 2nqb h ILE 1266N 0.42 1.11 -0.09 2.25 1.08 -0.97 -1.14 117.51 120.17 2nqb h ILE 1266Ca 0.11 -0.28 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2nqb h ILE 1266Cb 0.32 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 2nqb h ILE 1266CO 0.00 0.11 -0.21 0.15 -0.69 0.00 0.00 178.15 177.52 2nqb h PHE 1267N 0.38 -0.55 -0.41 1.37 3.57 -1.07 -1.32 116.94 118.90 2nqb h PHE 1267Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2nqb h PHE 1267Cb 0.03 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2nqb h PHE 1267CO -0.04 -0.29 0.26 0.93 -2.23 0.00 0.00 178.31 176.95 2nqb h GLU 1268N -0.29 0.55 -0.28 1.11 5.08 -1.10 0.86 114.58 120.51 2nqb h GLU 1268Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2nqb h GLU 1268Cb 0.41 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2nqb h GLU 1268CO -0.26 0.39 0.16 0.00 -1.00 0.00 0.00 179.01 178.30 2nqb h ARG 1269N 0.55 0.38 -0.28 2.33 3.08 -1.01 0.18 114.38 119.62 2nqb h ARG 1269Ca 0.15 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2nqb h ARG 1269Cb -0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2nqb h ARG 1269CO -0.03 0.32 -0.01 0.82 -1.07 0.00 0.00 179.97 180.00 2nqb h ILE 1270N 0.35 1.26 -0.54 2.04 2.04 -1.08 -1.58 117.51 119.99 2nqb h ILE 1270Ca 0.10 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2nqb h ILE 1270Cb 0.04 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2nqb h ILE 1270CO -0.02 0.30 0.32 0.00 0.00 0.00 0.00 178.15 178.75 2nqb h ALA 1271N 0.82 0.69 -0.61 1.87 0.00 -0.72 0.85 119.26 122.16 2nqb h ALA 1271Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2nqb h ALA 1271Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2nqb h ALA 1271CO 0.02 0.19 0.16 0.00 0.00 0.00 0.00 179.25 179.61 2nqb h ALA 1272N 1.15 0.80 -0.80 0.00 0.00 -0.92 0.81 119.26 120.31 2nqb h ALA 1272Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2nqb h ALA 1272Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2nqb h ALA 1272CO -0.03 0.50 0.31 0.93 0.00 0.00 0.00 179.25 180.96 2nqb h GLU 1273N 0.88 1.20 -0.56 0.00 4.39 -0.94 -1.66 114.58 117.89 2nqb h GLU 1273Ca 0.19 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2nqb h GLU 1273Cb 0.34 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2nqb h GLU 1273CO -0.00 0.97 0.01 0.00 -1.16 0.00 0.00 179.01 178.83 2nqb h ALA 1274N 1.17 0.76 -0.02 3.43 0.00 -0.35 -1.38 119.26 122.87 2nqb h ALA 1274Ca 0.27 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2nqb h ALA 1274Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2nqb h ALA 1274CO -0.02 0.58 -0.15 1.03 0.00 0.00 0.00 179.25 180.69 2nqb h SER 1275N 0.87 -0.43 -0.51 0.00 0.87 -0.47 0.15 113.55 114.03 2nqb h SER 1275Ca 0.16 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2nqb h SER 1275Cb 0.53 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 2nqb h SER 1275CO 0.03 -0.20 0.32 0.03 -0.53 0.00 0.00 176.83 176.48 2nqb h ARG 1276N -0.24 0.67 -0.30 2.24 3.08 -1.23 -1.33 114.38 117.27 2nqb h ARG 1276Ca 0.06 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.13 2nqb h ARG 1276Cb 0.31 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 2nqb h ARG 1276CO -0.16 0.46 -0.16 1.25 -1.07 0.00 0.00 179.97 180.30 2nqb h LEU 1277N 0.68 -0.54 -0.85 3.04 5.85 -0.77 0.19 115.31 122.91 2nqb h LEU 1277Ca 0.18 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 2nqb h LEU 1277Cb -0.05 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2nqb h LEU 1277CO -0.04 -0.20 0.28 0.00 -0.34 0.00 0.00 178.44 178.15 2nqb h ALA 1278N 1.10 1.08 -0.36 1.25 0.00 -0.65 -2.81 119.26 118.87 2nqb h ALA 1278Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2nqb h ALA 1278Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2nqb h ALA 1278CO -0.38 0.65 0.04 1.25 0.00 0.00 0.00 179.25 180.80 2nqb h HIS 1279N 1.10 0.65 -0.21 0.00 -0.00 -0.30 0.25 115.15 116.63 2nqb h HIS 1279Ca 0.25 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2nqb h HIS 1279Cb 0.23 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2nqb h HIS 1279CO 0.02 0.68 0.14 1.88 -0.00 0.00 0.00 177.93 180.65 2nqb h TYR 1280N 0.44 0.26 -0.54 5.26 0.99 -0.54 -2.06 116.97 120.78 2nqb h TYR 1280Ca 0.11 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2nqb h TYR 1280Cb 0.39 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 38.03 2nqb h TYR 1280CO 0.03 0.17 0.00 0.09 -0.00 0.00 0.00 178.16 178.44 2nqb n ASN 1281N -4.51 5.33 -3.26 3.88 3.02 -1.07 -4.94 115.26 113.72 2nqb n ASN 1281Ca 0.00 -2.88 -0.22 0.00 -0.03 0.00 0.00 54.58 51.45 2nqb n ASN 1281Cb 0.07 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2nqb n ASN 1281CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nqb n LYS 1282N 0.52 -3.53 -4.00 3.52 5.02 -0.78 -4.95 118.16 113.96 2nqb n LYS 1282Ca 0.27 0.54 -0.36 0.00 -2.02 0.00 0.00 58.31 56.73 2nqb n LYS 1282Cb 1.11 -5.26 -0.07 0.00 -0.02 0.00 0.00 35.03 30.79 2nqb n LYS 1282CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nqb s ARG 1283N -5.91 3.33 0.00 1.97 1.81 0.81 -4.99 118.95 115.97 2nqb s ARG 1283Ca 0.36 -0.21 0.21 0.00 -1.72 0.00 0.00 55.73 54.37 2nqb s ARG 1283Cb -0.19 -3.09 0.03 0.00 -0.45 0.00 0.00 34.95 31.25 2nqb s ARG 1283CO 0.45 0.75 1.07 -1.13 -0.68 0.00 0.00 175.30 175.76 2nqb n SER 1284N 1.94 2.13 -4.39 0.23 3.41 -1.26 -4.18 113.62 111.50 2nqb n SER 1284Ca -0.19 -1.57 -0.33 0.00 -0.26 0.00 0.00 58.87 56.53 2nqb n SER 1284Cb 0.55 0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 64.73 2nqb n SER 1284CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2nqb s THR 1285N -2.24 2.93 -0.34 6.66 2.01 -1.26 -5.09 115.64 118.31 2nqb s THR 1285Ca 0.19 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 2nqb s THR 1285Cb 0.17 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2nqb s THR 1285CO 0.48 0.55 0.32 -0.63 -0.69 0.00 0.00 174.62 174.65 2nqb s ILE 1286N -0.03 5.21 0.46 1.82 1.01 -1.26 -4.92 121.20 123.49 2nqb s ILE 1286Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.61 2nqb s ILE 1286Cb -0.14 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.57 2nqb s ILE 1286CO 0.04 -0.06 0.20 0.35 0.00 0.00 0.00 174.94 175.47 2nqb n THR 1287N 5.20 0.00 0.28 2.92 -2.24 -1.26 -4.99 114.28 114.19 2nqb n THR 1287Ca -0.10 -1.99 0.12 0.00 -2.27 0.00 0.00 64.05 59.81 2nqb n THR 1287Cb 0.49 0.14 0.80 0.00 -2.10 0.00 0.00 70.33 69.66 2nqb n THR 1287CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2nqb h SER 1288N 0.79 0.00 -0.18 3.42 4.64 -1.99 -1.54 113.55 118.69 2nqb h SER 1288Ca -0.33 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.87 2nqb h SER 1288Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2nqb h SER 1288CO 0.54 0.03 -0.29 -0.09 -0.87 0.00 0.00 176.83 176.15 2nqb h ARG 1289N 0.00 0.67 -0.17 4.77 2.43 -1.99 -0.27 114.38 119.81 2nqb h ARG 1289Ca -0.00 -0.29 -0.22 0.00 -0.81 0.00 0.00 59.98 58.66 2nqb h ARG 1289Cb 0.07 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2nqb h ARG 1289CO 0.00 0.88 -0.74 0.93 -1.51 0.00 0.00 179.97 179.53 2nqb h GLU 1290N 0.57 0.79 -0.96 0.20 4.39 -1.68 -2.26 114.58 115.63 2nqb h GLU 1290Ca 0.07 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2nqb h GLU 1290Cb 0.79 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.51 2nqb h GLU 1290CO 0.06 1.23 0.61 0.82 -1.16 0.00 0.00 179.01 180.58 2nqb h ILE 1291N 0.55 1.25 -0.29 3.13 1.08 -1.25 -0.40 117.51 121.58 2nqb h ILE 1291Ca -0.04 -0.49 -0.04 0.00 -0.39 0.00 0.00 64.86 63.90 2nqb h ILE 1291Cb 1.37 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2nqb h ILE 1291CO 0.15 0.25 0.04 -0.61 -0.69 0.00 0.00 178.15 177.30 2nqb h GLN 1292N 1.31 0.49 -0.63 2.37 4.15 -0.92 -0.75 115.11 121.13 2nqb h GLN 1292Ca 0.35 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.58 2nqb h GLN 1292Cb -0.12 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 2nqb h GLN 1292CO -0.07 0.60 0.18 1.15 -1.93 0.00 0.00 178.83 178.75 2nqb h THR 1293N 0.30 1.25 -0.68 2.39 2.02 -1.14 -2.08 112.91 114.98 2nqb h THR 1293Ca 0.09 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.40 2nqb h THR 1293Cb 0.35 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2nqb h THR 1293CO 0.01 0.33 0.44 0.00 0.37 0.00 0.00 175.52 176.67 2nqb h ALA 1294N 1.06 0.87 -0.68 6.16 0.00 -0.88 -1.31 119.26 124.48 2nqb h ALA 1294Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2nqb h ALA 1294Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2nqb h ALA 1294CO -0.00 0.24 0.40 0.28 0.00 0.00 0.00 179.25 180.16 2nqb h VAL 1295N 0.87 1.19 -0.17 0.00 2.07 -0.82 0.22 116.25 119.62 2nqb h VAL 1295Ca 0.26 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 2nqb h VAL 1295Cb -0.04 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2nqb h VAL 1295CO -0.08 0.20 -0.41 0.03 0.02 0.00 0.00 177.57 177.33 2nqb h ARG 1296N 0.94 0.39 0.01 1.57 3.08 -0.60 -1.02 114.38 118.73 2nqb h ARG 1296Ca 0.24 -0.19 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 2nqb h ARG 1296Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2nqb h ARG 1296CO -0.04 0.74 -0.91 -0.07 -1.07 0.00 0.00 179.97 178.62 2nqb h LEU 1297N 0.32 0.05 0.14 3.04 3.38 -0.71 -3.38 115.31 118.15 2nqb h LEU 1297Ca 0.03 -0.04 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 2nqb h LEU 1297Cb 0.86 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2nqb h LEU 1297CO 0.07 0.92 -1.75 -0.07 0.09 0.00 0.00 178.44 177.70 2nqb h LEU 1298N 0.01 0.45 -9.95 1.67 -0.00 -0.83 -3.48 115.31 103.18 2nqb h LEU 1298Ca -0.02 -0.90 -0.56 0.00 -0.00 0.00 0.00 57.88 56.40 2nqb h LEU 1298Cb 1.59 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 42.07 2nqb h LEU 1298CO 0.12 1.77 -0.20 -0.76 -0.00 0.00 0.00 178.44 179.37 2nqb s LEU 1299N -7.29 4.22 0.23 1.67 1.43 -0.40 -5.07 118.68 113.48 2nqb s LEU 1299Ca -0.20 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 2nqb s LEU 1299Cb 0.06 -3.48 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 2nqb s LEU 1299CO 0.78 -0.00 1.09 -2.84 0.23 0.00 0.00 176.35 175.61 2nqb s PRO 1300N -2.67 4.63 0.00 1.29 0.02 -1.26 -4.57 135.00 132.45 2nqb s PRO 1300Ca 0.44 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.21 2nqb s PRO 1300Cb -0.12 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2nqb s PRO 1300CO 0.22 0.16 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 2nqb n GLY 1301N 1.61 0.00 0.27 0.52 0.00 -1.26 -1.31 105.19 105.02 2nqb n GLY 1301Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2nqb n GLY 1301CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2nqb h GLU 1302N 0.00 0.88 -0.77 1.61 4.57 -2.01 -2.68 114.58 116.19 2nqb h GLU 1302Ca 0.00 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2nqb h GLU 1302Cb 0.00 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 2nqb h GLU 1302CO 0.00 0.62 0.44 -0.07 -1.18 0.00 0.00 179.01 178.82 2nqb h LEU 1303N 0.89 0.95 0.26 1.64 3.38 -1.56 -2.59 115.31 118.28 2nqb h LEU 1303Ca 0.24 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2nqb h LEU 1303Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2nqb h LEU 1303CO -0.05 0.76 -0.22 0.00 0.09 0.00 0.00 178.44 179.02 2nqb h ALA 1304N 1.23 -0.48 -0.51 1.53 0.00 -1.28 0.12 119.26 119.86 2nqb h ALA 1304Ca 0.27 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2nqb h ALA 1304Cb 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2nqb h ALA 1304CO -0.05 -0.79 -0.09 0.87 0.00 0.00 0.00 179.25 179.19 2nqb h LYS 1305N -0.50 0.03 -0.20 0.00 1.57 -1.30 0.28 116.57 116.46 2nqb h LYS 1305Ca -0.01 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2nqb h LYS 1305Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2nqb h LYS 1305CO -0.02 0.02 -0.43 0.45 -0.57 0.00 0.00 179.45 178.90 2nqb h HIS 1306N 0.03 0.58 -0.30 -1.35 3.86 -1.28 -2.21 115.15 114.48 2nqb h HIS 1306Ca 0.25 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2nqb h HIS 1306Cb 0.39 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 2nqb h HIS 1306CO -0.39 0.84 0.05 0.00 0.86 0.00 0.00 177.93 179.28 2nqb h ALA 1307N 1.14 0.40 -0.91 2.45 0.00 0.39 -1.40 119.26 121.33 2nqb h ALA 1307Ca 0.03 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2nqb h ALA 1307Cb 0.92 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2nqb h ALA 1307CO 0.08 0.10 0.56 0.28 0.00 0.00 0.00 179.25 180.27 2nqb h VAL 1308N 0.33 1.00 -0.01 0.00 2.07 -0.35 0.96 116.25 120.25 2nqb h VAL 1308Ca 0.09 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2nqb h VAL 1308Cb 0.34 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2nqb h VAL 1308CO 0.01 0.18 0.00 0.28 0.02 0.00 0.00 177.57 178.06 2nqb h SER 1309N 0.98 0.02 -0.82 0.57 0.02 -1.14 0.19 113.55 113.37 2nqb h SER 1309Ca 0.41 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2nqb h SER 1309Cb 0.27 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2nqb h SER 1309CO -0.20 0.32 0.54 -0.33 -1.14 0.00 0.00 176.83 176.01 2nqb h GLU 1310N -0.28 1.04 0.40 3.45 4.39 -0.95 -0.07 114.58 122.56 2nqb h GLU 1310Ca 0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2nqb h GLU 1310Cb 0.31 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2nqb h GLU 1310CO 0.00 0.69 -0.19 0.78 -1.16 0.00 0.00 179.01 179.13 2nqb h GLY 1311N 1.07 -0.56 0.76 -3.84 0.00 -0.68 -0.30 103.07 99.53 2nqb h GLY 1311Ca 0.31 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.90 2nqb h GLY 1311CO -0.09 -0.20 0.50 -0.84 0.00 0.00 0.00 176.54 175.91 2nqb h THR 1312N -0.67 1.05 -0.34 4.70 2.02 -0.85 -1.94 112.91 116.89 2nqb h THR 1312Ca -0.05 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2nqb h THR 1312Cb 0.48 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2nqb h THR 1312CO 0.09 0.17 0.20 0.50 0.37 0.00 0.00 175.52 176.85 2nqb h LYS 1313N 0.92 0.46 -0.15 6.66 3.64 -0.90 0.34 116.57 127.54 2nqb h LYS 1313Ca 0.35 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2nqb h LYS 1313Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2nqb h LYS 1313CO -0.16 0.35 -0.19 0.00 -2.27 0.00 0.00 179.45 177.18 2nqb h ALA 1314N 1.08 1.40 0.03 5.00 0.00 -0.59 -1.78 119.26 124.40 2nqb h ALA 1314Ca 0.12 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2nqb h ALA 1314Cb 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2nqb h ALA 1314CO -0.02 0.42 -0.66 0.28 0.00 0.00 0.00 179.25 179.26 2nqb h VAL 1315N 0.24 1.45 -0.50 0.00 2.07 -0.94 -0.54 116.25 118.03 2nqb h VAL 1315Ca 0.04 -2.19 0.05 0.00 0.82 0.00 0.00 66.70 65.42 2nqb h VAL 1315Cb 0.48 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 2nqb h VAL 1315CO 0.03 0.63 0.23 0.74 0.02 0.00 0.00 177.57 179.23 2nqb h THR 1316N -0.16 0.92 -0.46 2.57 2.02 -0.86 0.39 112.91 117.33 2nqb h THR 1316Ca -0.09 -0.16 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 2nqb h THR 1316Cb 1.40 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2nqb h THR 1316CO 0.13 0.08 -0.25 0.50 0.37 0.00 0.00 175.52 176.35 2nqb h LYS 1317N 0.45 0.98 -0.86 6.66 3.64 -1.36 -2.30 116.57 123.79 2nqb h LYS 1317Ca 0.22 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2nqb h LYS 1317Cb 0.16 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2nqb h LYS 1317CO -0.18 1.11 0.49 -0.92 -2.27 0.00 0.00 179.45 177.68 2nqb h TYR 1318N 0.84 1.15 0.00 1.91 3.20 -0.58 -2.42 116.97 121.07 2nqb h TYR 1318Ca 0.10 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2nqb h TYR 1318Cb 0.83 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2nqb h TYR 1318CO 0.05 0.78 -0.32 1.15 -1.64 0.00 0.00 178.16 178.18 2nqb h THR 1319N 1.19 0.78 0.00 1.81 2.02 -0.76 -3.09 112.91 114.86 2nqb h THR 1319Ca 0.30 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 66.11 2nqb h THR 1319Cb -0.01 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2nqb h THR 1319CO -0.05 0.32 0.00 -1.54 0.37 0.00 0.00 175.52 174.61 2nqb n SER 1320N -3.50 0.54 -4.91 4.18 3.41 -0.88 -4.82 113.62 107.63 2nqb n SER 1320Ca -0.00 0.59 -0.24 0.00 -0.26 0.00 0.00 58.87 58.96 2nqb n SER 1320Cb 0.48 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 2nqb n SER 1320CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2nqb s SER 1321N -4.01 6.10 0.00 4.04 1.04 -1.17 -5.11 113.70 114.59 2nqb s SER 1321Ca 0.08 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2nqb s SER 1321Cb 0.11 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2nqb s SER 1321CO 0.46 0.01 0.00 1.17 0.98 0.00 0.00 173.24 175.86