#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bql n ASP 1220N -0.50 5.16 -0.26 0.00 5.68 -1.26 -4.60 116.55 120.77 3bql n ASP 1220Ca -0.02 -2.41 -0.03 0.00 -0.50 0.00 0.00 54.79 51.83 3bql n ASP 1220Cb 0.66 -1.32 0.15 0.00 -1.14 0.00 0.00 41.12 39.47 3bql n ASP 1220CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 3bql h LEU 1221N 5.33 0.98 -2.86 -2.12 8.10 -1.95 -2.21 115.31 120.58 3bql h LEU 1221Ca 0.24 -0.09 -0.00 0.00 0.11 0.00 0.00 57.88 58.14 3bql h LEU 1221Cb 1.26 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.23 3bql h LEU 1221CO 0.42 0.81 0.00 0.59 -4.11 0.00 0.00 178.44 176.15 3bql n ASN 1222N -4.34 4.44 -4.10 0.17 3.02 -1.26 -4.80 115.26 108.40 3bql n ASN 1222Ca 0.08 -2.68 -0.34 0.00 -0.03 0.00 0.00 54.58 51.60 3bql n ASN 1222Cb 0.11 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.51 3bql n ASN 1222CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bql s ALA 1223N -2.28 3.01 -0.21 5.41 0.00 -0.83 -5.08 121.76 121.77 3bql s ALA 1223Ca 0.40 -2.37 -0.29 0.00 0.00 0.00 0.00 51.96 49.69 3bql s ALA 1223Cb 0.30 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 21.24 3bql s ALA 1223CO 0.11 -1.66 1.14 -0.08 0.00 0.00 0.00 175.76 175.28 3bql s THR 1224N 1.10 4.49 -0.03 0.00 -1.32 -1.26 -5.00 115.64 113.61 3bql s THR 1224Ca 0.06 1.80 0.02 0.00 -1.21 0.00 0.00 61.69 62.36 3bql s THR 1224Cb -0.21 -4.18 0.01 0.00 -1.51 0.00 0.00 72.50 66.61 3bql s THR 1224CO -0.05 -0.18 -0.08 0.21 -2.21 0.00 0.00 174.62 172.31 3bql s ASN 1225N 1.59 1.12 0.00 8.08 3.04 -1.26 -5.15 114.94 122.36 3bql s ASN 1225Ca 0.49 -0.17 -0.04 0.00 0.04 0.00 0.00 52.86 53.18 3bql s ASN 1225Cb -0.18 -0.36 -0.00 0.00 -1.54 0.00 0.00 41.25 39.16 3bql s ASN 1225CO 0.10 0.03 0.07 -0.72 -3.04 0.00 0.00 177.10 173.55 3bql s TYR 1226N 0.37 0.09 0.02 0.43 -0.85 -1.26 -5.05 117.35 111.09 3bql s TYR 1226Ca -0.06 -0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.34 3bql s TYR 1226Cb -0.10 -0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.15 3bql s TYR 1226CO 0.01 -0.21 -0.10 0.96 -1.52 0.00 0.00 175.55 174.69 3bql s ILE 1227N -1.13 0.76 0.53 -3.49 -4.36 -1.26 -5.14 121.20 107.12 3bql s ILE 1227Ca -0.12 -0.76 -0.18 0.00 -0.26 0.00 0.00 60.65 59.33 3bql s ILE 1227Cb -0.07 -0.71 -0.06 0.00 1.25 0.00 0.00 42.46 42.87 3bql s ILE 1227CO 0.00 -0.03 1.04 0.00 0.24 0.00 0.00 174.94 176.19 3bql s ARG 1228N -0.88 3.63 0.00 0.37 1.70 -1.26 -3.76 118.95 118.75 3bql s ARG 1228Ca -0.01 1.24 0.00 0.00 -0.47 0.00 0.00 55.73 56.49 3bql s ARG 1228Cb -0.06 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 3bql s ARG 1228CO 0.00 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.07 3bql n GLY 1229N -0.73 3.39 2.98 3.88 0.00 -1.26 -4.50 105.19 108.95 3bql n GLY 1229Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3bql n GLY 1229CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bql s GLN 1231N 0.63 2.83 0.26 0.00 -1.52 -1.26 -4.90 119.66 115.69 3bql s GLN 1231Ca 0.13 -1.07 -0.27 0.00 -1.95 0.00 0.00 55.36 52.20 3bql s GLN 1231Cb -0.21 -2.70 -0.16 0.00 -0.22 0.00 0.00 33.01 29.72 3bql s GLN 1231CO -0.07 -0.31 0.51 0.43 -0.25 0.00 0.00 175.29 175.60 3bql n SER 1232N -1.93 -1.20 -4.75 5.90 7.64 -1.26 -4.88 113.62 113.13 3bql n SER 1232Ca 0.06 1.07 -0.35 0.00 1.01 0.00 0.00 58.87 60.66 3bql n SER 1232Cb 0.59 -0.99 0.04 0.00 -1.01 0.00 0.00 64.21 62.84 3bql n SER 1232CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3bql s LYS 1233N -1.10 2.89 0.00 1.43 -0.14 -1.26 -4.96 119.74 116.59 3bql s LYS 1233Ca 0.63 1.72 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 3bql s LYS 1233Cb -0.83 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 3bql s LYS 1233CO 0.58 -1.25 0.37 0.25 -0.76 0.00 0.00 175.35 174.54 3bql n THR 1234N -1.82 0.07 0.21 2.17 -2.24 -1.26 -4.37 114.28 107.04 3bql n THR 1234Ca 0.13 -0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 3bql n THR 1234Cb 0.50 1.29 0.49 0.00 -2.10 0.00 0.00 70.33 70.51 3bql n THR 1234CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3bql h TYR 1235N 0.00 0.02 -0.48 4.78 -0.00 -1.88 0.13 116.97 119.53 3bql h TYR 1235Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3bql h TYR 1235Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.48 3bql h TYR 1235CO 0.00 0.21 0.00 -0.25 -0.00 0.00 0.00 178.16 178.12 3bql n ASP 1236N -4.31 4.62 0.00 0.10 8.00 -1.26 -0.15 116.55 123.55 3bql n ASP 1236Ca -0.02 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.76 3bql n ASP 1236Cb 0.25 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3bql n ASP 1236CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bql n GLY 1237N 0.42 2.96 3.75 0.44 0.00 0.44 -4.79 105.19 108.41 3bql n GLY 1237Ca 0.24 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 3bql n GLY 1237CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bql s LYS 1238N -3.31 2.98 0.20 1.61 1.02 -0.39 -4.33 119.74 117.53 3bql s LYS 1238Ca 0.00 1.88 -0.30 0.00 0.02 0.00 0.00 55.97 57.56 3bql s LYS 1238Cb 0.00 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 3bql s LYS 1238CO 0.00 -1.21 1.40 0.42 -0.92 0.00 0.00 175.35 175.03 3bql s ILE 1239N -1.55 2.95 0.27 2.17 1.01 -1.26 -4.59 121.20 120.20 3bql s ILE 1239Ca 0.77 0.76 -0.29 0.00 0.00 0.00 0.00 60.65 61.89 3bql s ILE 1239Cb -0.32 -3.49 -0.14 0.00 0.01 0.00 0.00 42.46 38.53 3bql s ILE 1239CO 0.35 0.10 1.07 0.33 0.00 0.00 0.00 174.94 176.79 3bql n PHE 1240N 2.83 1.40 1.88 3.97 -0.00 -1.26 -0.89 117.46 125.39 3bql n PHE 1240Ca 0.08 0.67 0.15 0.00 -0.00 0.00 0.00 57.45 58.36 3bql n PHE 1240Cb 0.41 -2.28 0.90 0.00 -0.00 0.00 0.00 39.48 38.52 3bql n PHE 1240CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3bql n PRO 1241N 0.94 0.92 -1.23 -7.13 -0.02 -1.26 -5.09 135.00 122.13 3bql n PRO 1241Ca 0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 3bql n PRO 1241Cb 0.31 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.41 3bql n PRO 1241CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3bql s GLY 1242N -2.05 2.25 0.03 -1.23 0.00 -0.07 -5.05 107.32 101.20 3bql s GLY 1242Ca 0.45 0.88 -0.04 0.00 0.00 0.00 0.00 44.72 46.01 3bql s GLY 1242CO 0.37 1.30 0.05 1.25 0.00 0.00 0.00 173.10 176.06 3bql s LYS 1243N -4.04 0.51 2.90 2.90 2.47 -1.26 -4.56 119.74 118.65 3bql s LYS 1243Ca 0.74 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 54.40 3bql s LYS 1243Cb -0.29 0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.27 3bql s LYS 1243CO 0.49 -0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.29 3bql n GLY 1244N 0.95 0.17 2.30 5.54 0.00 -1.26 -4.67 105.19 108.22 3bql n GLY 1244Ca -0.20 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3bql n GLY 1244CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bql n GLY 1245N 0.00 0.42 3.76 -0.02 0.00 -1.26 -1.26 105.19 106.83 3bql n GLY 1245Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bql n GLY 1245CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3bql s GLU 1246N -0.43 3.40 0.43 1.61 1.03 -1.25 -4.54 118.70 118.94 3bql s GLU 1246Ca 0.00 1.87 -0.01 0.00 0.03 0.00 0.00 54.97 56.86 3bql s GLU 1246Cb 0.00 -2.22 -0.02 0.00 -0.80 0.00 0.00 34.13 31.09 3bql s GLU 1246CO 0.00 -0.88 0.66 0.15 -1.33 0.00 0.00 175.26 173.87 3bql s LYS 1247N -2.95 3.27 0.31 -4.83 1.02 0.79 -4.88 119.74 112.47 3bql s LYS 1247Ca 0.69 -0.30 0.10 0.00 0.02 0.00 0.00 55.97 56.49 3bql s LYS 1247Cb -0.31 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 3bql s LYS 1247CO 0.36 -0.15 -0.07 1.14 -0.92 0.00 0.00 175.35 175.72 3bql s GLN 1248N -4.53 1.97 0.14 1.68 -2.07 -1.26 -4.78 119.66 110.80 3bql s GLN 1248Ca 0.46 -1.72 -0.31 0.00 -1.82 0.00 0.00 55.36 51.96 3bql s GLN 1248Cb -0.10 -1.89 -0.09 0.00 -1.09 0.00 0.00 33.01 29.83 3bql s GLN 1248CO 0.39 0.23 1.56 -1.58 -1.32 0.00 0.00 175.29 174.57 3bql s TRP 1249N -2.50 2.96 -0.43 9.60 0.52 -1.26 -4.32 118.94 123.51 3bql s TRP 1249Ca 0.32 0.60 -0.11 0.00 0.02 0.00 0.00 56.10 56.93 3bql s TRP 1249Cb -0.02 -3.91 0.07 0.00 -1.15 0.00 0.00 33.47 28.46 3bql s TRP 1249CO 0.18 -3.39 0.29 0.42 0.02 0.00 0.00 176.95 174.47 3bql s ILE 1250N 1.44 4.59 -0.25 2.03 1.01 -1.03 -4.89 121.20 124.11 3bql s ILE 1250Ca 0.70 -1.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 3bql s ILE 1250Cb -0.42 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3bql s ILE 1250CO 0.31 -0.48 0.12 0.00 0.00 0.00 0.00 174.94 174.90 3bql s LYS 1252N 1.41 2.42 -0.02 0.00 -0.14 -0.77 -5.00 119.74 117.64 3bql s LYS 1252Ca 0.06 -0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 53.89 3bql s LYS 1252Cb -0.15 -2.34 -0.01 0.00 -1.68 0.00 0.00 37.83 33.65 3bql s LYS 1252CO 0.06 0.61 0.22 -0.44 -0.76 0.00 0.00 175.35 175.04 3bql h ASP 1253N 5.17 -0.07 -0.38 2.83 5.19 -1.96 -3.11 116.42 124.10 3bql h ASP 1253Ca -0.47 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.69 3bql h ASP 1253Cb 1.15 0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.58 3bql h ASP 1253CO 0.50 0.07 0.08 1.07 -3.12 0.00 0.00 179.24 177.84 3bql n THR 1254N -2.87 2.81 -4.33 0.35 5.66 -1.26 -3.24 114.28 111.40 3bql n THR 1254Ca -0.01 -1.69 -0.21 0.00 -3.05 0.00 0.00 64.05 59.09 3bql n THR 1254Cb 0.03 -1.64 -0.11 0.00 -1.55 0.00 0.00 70.33 67.06 3bql n THR 1254CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3bql s ILE 1255N -0.79 1.78 -0.15 1.09 -5.25 -1.26 -5.02 121.20 111.60 3bql s ILE 1255Ca 0.42 -2.01 -0.02 0.00 -0.99 0.00 0.00 60.65 58.05 3bql s ILE 1255Cb 0.25 -1.89 -0.02 0.00 2.95 0.00 0.00 42.46 43.75 3bql s ILE 1255CO -0.06 -0.41 -0.08 -0.63 -1.79 0.00 0.00 174.94 171.97 3bql s ILE 1256N -2.34 3.43 -0.52 8.37 1.01 -1.26 -0.17 121.20 129.71 3bql s ILE 1256Ca 0.18 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3bql s ILE 1256Cb -0.04 -2.49 0.13 0.00 0.01 0.00 0.00 42.46 40.07 3bql s ILE 1256CO 0.07 0.50 0.41 -2.28 0.00 0.00 0.00 174.94 173.63 3bql s HIS 1257N 0.53 3.43 0.00 3.97 2.46 -0.60 -4.71 115.29 120.37 3bql s HIS 1257Ca -0.06 -1.88 0.00 0.00 0.47 0.00 0.00 55.06 53.60 3bql s HIS 1257Cb -0.15 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 3bql s HIS 1257CO 0.03 -0.99 0.00 0.41 -2.47 0.00 0.00 174.74 171.73 3bql n GLY 1258N 4.77 2.17 0.00 1.59 0.00 -1.26 -3.51 105.19 108.94 3bql n GLY 1258Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3bql n GLY 1258CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bql n ASP 1259N 4.73 3.09 -4.87 1.61 8.00 -1.26 -5.11 116.55 122.74 3bql n ASP 1259Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 3bql n ASP 1259Cb 0.00 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3bql n ASP 1259CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3bql s THR 1260N -1.73 3.82 0.52 -3.53 -1.32 -1.23 -5.06 115.64 107.11 3bql s THR 1260Ca 0.00 -1.32 -0.19 0.00 -1.21 0.00 0.00 61.69 58.97 3bql s THR 1260Cb 0.00 -3.27 -0.07 0.00 -1.51 0.00 0.00 72.50 67.65 3bql s THR 1260CO 0.00 -0.21 1.05 0.20 -2.21 0.00 0.00 174.62 173.45 3bql s ASN 1261N -3.99 6.16 0.05 8.08 -0.87 -1.26 -1.55 114.94 121.56 3bql s ASN 1261Ca 0.40 1.92 0.00 0.00 -1.57 0.00 0.00 52.86 53.61 3bql s ASN 1261Cb -0.07 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 3bql s ASN 1261CO 0.27 -0.90 0.00 0.61 -2.57 0.00 0.00 177.10 174.50 3bql n GLY 1262N -0.39 -1.93 0.00 0.66 0.00 0.75 -4.79 105.19 99.50 3bql n GLY 1262Ca 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3bql n GLY 1262CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bql n ALA 1263N -2.40 0.00 -3.71 4.61 0.00 -1.17 -3.64 120.51 114.20 3bql n ALA 1263Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 3bql n ALA 1263Cb 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.38 3bql n ALA 1263CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bql s ILE 1265N 1.33 4.96 0.42 0.00 1.01 0.19 -4.85 121.20 124.26 3bql s ILE 1265Ca 0.01 1.18 -0.25 0.00 0.00 0.00 0.00 60.65 61.58 3bql s ILE 1265Cb -0.16 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 3bql s ILE 1265CO -0.05 -0.00 1.23 -2.65 0.00 0.00 0.00 174.94 173.47 3bql n PRO 1266N 5.77 1.83 -0.27 2.79 -0.02 -1.26 -2.46 135.00 141.37 3bql n PRO 1266Ca 0.00 0.65 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 3bql n PRO 1266Cb 0.49 -2.32 0.23 0.00 -0.02 0.00 0.00 33.50 31.87 3bql n PRO 1266CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3bql h PRO 1267N 1.99 0.23 -0.43 0.52 0.11 -1.89 -2.68 132.00 129.85 3bql h PRO 1267Ca -0.47 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3bql h PRO 1267Cb 1.30 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3bql h PRO 1267CO 0.59 0.15 0.13 -0.09 -0.21 0.00 0.00 178.00 178.58 3bql h ARG 1268N 0.24 0.28 -0.91 1.05 2.43 -1.91 -2.22 114.38 113.34 3bql h ARG 1268Ca 0.48 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.72 3bql h ARG 1268Cb 0.89 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 3bql h ARG 1268CO -0.59 0.18 0.56 1.15 -1.51 0.00 0.00 179.97 179.77 3bql h THR 1269N 0.29 0.98 0.00 0.20 2.02 -1.85 -0.43 112.91 114.11 3bql h THR 1269Ca 0.21 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3bql h THR 1269Cb 0.22 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3bql h THR 1269CO -0.23 0.18 0.00 1.56 0.37 0.00 0.00 175.52 177.40 3bql h GLN 1270N 0.97 0.00 -0.55 6.66 4.20 -1.15 -2.45 115.11 122.78 3bql h GLN 1270Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 3bql h GLN 1270Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3bql h GLN 1270CO -0.22 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.23 3bql n ASN 1271N -2.74 3.48 -4.71 1.46 2.85 -0.20 -5.04 115.26 110.36 3bql n ASN 1271Ca -0.01 -1.99 -0.43 0.00 -0.11 0.00 0.00 54.58 52.04 3bql n ASN 1271Cb 0.15 -0.37 -0.03 0.00 1.24 0.00 0.00 39.78 40.77 3bql n ASN 1271CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3bql n LEU 1272N 1.14 3.80 -4.63 1.20 7.94 -0.93 -4.91 117.00 120.61 3bql n LEU 1272Ca 0.19 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.76 3bql n LEU 1272Cb 0.53 -1.53 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 3bql n LEU 1272CO 0.13 -0.03 1.23 0.00 -1.11 0.00 0.00 177.39 177.60 3bql n VAL 1274N 6.22 0.39 0.00 0.00 0.24 -1.26 -4.75 118.33 119.17 3bql n VAL 1274Ca 0.16 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3bql n VAL 1274Cb 0.46 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3bql n VAL 1274CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bql n GLY 1275N 1.00 2.54 0.42 7.63 0.00 -1.26 -0.98 105.19 114.54 3bql n GLY 1275Ca 0.13 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.36 3bql n GLY 1275CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bql n GLU 1276N 14.00 1.52 0.11 1.61 -0.58 -1.26 -3.31 120.64 132.73 3bql n GLU 1276Ca 0.00 -0.76 -0.02 0.00 -0.42 0.00 0.00 57.16 55.96 3bql n GLU 1276Cb 0.00 -1.20 0.01 0.00 -0.57 0.00 0.00 31.44 29.68 3bql n GLU 1276CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3bql h LEU 1277N 1.21 0.00 -8.30 -4.62 3.38 -1.36 -3.43 115.31 102.19 3bql h LEU 1277Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3bql h LEU 1277Cb 0.32 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.77 3bql h LEU 1277CO 0.01 0.72 -0.84 0.86 0.09 0.00 0.00 178.44 179.29 3bql s TRP 1278N -3.00 1.63 -0.38 1.13 -0.11 -1.21 -1.13 118.94 115.86 3bql s TRP 1278Ca 0.02 -0.35 -0.07 0.00 1.22 0.00 0.00 56.10 56.91 3bql s TRP 1278Cb 0.10 -1.06 0.07 0.00 -1.50 0.00 0.00 33.47 31.07 3bql s TRP 1278CO 0.77 -0.07 0.19 0.34 -4.62 0.00 0.00 176.95 173.56 3bql s ASP 1279N -0.29 5.43 0.17 5.86 2.15 0.24 -4.79 116.67 125.44 3bql s ASP 1279Ca 0.04 -1.46 0.26 0.00 0.43 0.00 0.00 52.55 51.81 3bql s ASP 1279Cb -0.08 -1.91 0.91 0.00 -0.30 0.00 0.00 42.92 41.54 3bql s ASP 1279CO 0.00 -0.46 1.78 0.29 -0.17 0.00 0.00 175.17 176.61 3bql n LYS 1280N 4.81 0.19 -1.78 4.34 5.02 -1.26 0.35 118.16 129.83 3bql n LYS 1280Ca -0.10 0.22 -0.39 0.00 -2.02 0.00 0.00 58.31 56.02 3bql n LYS 1280Cb 0.43 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 33.72 3bql n LYS 1280CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3bql s SER 1281N -4.12 5.68 -1.35 4.39 1.04 -1.26 -2.72 113.70 115.36 3bql s SER 1281Ca 0.10 2.90 -0.06 0.00 0.48 0.00 0.00 55.95 59.37 3bql s SER 1281Cb 0.13 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3bql s SER 1281CO 0.53 -1.30 0.49 -1.22 0.98 0.00 0.00 173.24 172.71 3bql n TYR 1282N -0.43 -1.67 -0.10 5.02 4.01 -1.26 -1.42 117.16 121.30 3bql n TYR 1282Ca 0.07 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.45 3bql n TYR 1282Cb 0.42 -3.60 0.00 0.00 -0.31 0.00 0.00 39.34 35.85 3bql n TYR 1282CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bql n GLY 1283N -1.95 0.81 0.00 2.72 0.00 -1.25 -4.90 105.19 100.61 3bql n GLY 1283Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3bql n GLY 1283CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bql n GLY 1284N -2.00 -2.73 3.40 -0.02 0.00 -0.51 -5.05 105.19 98.28 3bql n GLY 1284Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 3bql n GLY 1284CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bql s ARG 1285N -5.87 1.23 0.26 1.61 1.70 0.16 -4.97 118.95 113.06 3bql s ARG 1285Ca 0.00 -0.51 -0.31 0.00 -0.47 0.00 0.00 55.73 54.44 3bql s ARG 1285Cb 0.00 0.56 -0.12 0.00 -0.57 0.00 0.00 34.95 34.83 3bql s ARG 1285CO 0.00 -0.52 1.65 0.45 -1.08 0.00 0.00 175.30 175.79 3bql s SER 1286N -2.73 6.38 -0.06 -2.89 0.15 -1.26 -0.59 113.70 112.69 3bql s SER 1286Ca 0.01 2.91 0.20 0.00 0.70 0.00 0.00 55.95 59.78 3bql s SER 1286Cb -0.00 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 62.38 3bql s SER 1286CO -0.12 -0.94 1.59 -3.20 1.20 0.00 0.00 173.24 171.77 3bql n ASN 1287N 2.94 4.37 -0.18 5.45 5.15 -0.29 -4.42 115.26 128.30 3bql n ASN 1287Ca 0.11 -2.23 0.07 0.00 -0.60 0.00 0.00 54.58 51.94 3bql n ASN 1287Cb 0.36 -0.54 0.10 0.00 -0.53 0.00 0.00 39.78 39.18 3bql n ASN 1287CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3bql n ILE 1288N 1.39 1.41 -0.16 -1.44 -5.35 -1.25 -4.81 119.36 109.15 3bql n ILE 1288Ca 0.25 -1.69 0.04 0.00 -0.27 0.00 0.00 62.75 61.08 3bql n ILE 1288Cb 0.76 -0.05 0.33 0.00 -1.74 0.00 0.00 39.64 38.95 3bql n ILE 1288CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3bql h LYS 1289N 0.00 0.78 -0.15 6.28 3.64 -1.94 -3.20 116.57 121.98 3bql h LYS 1289Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3bql h LYS 1289Cb 1.10 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3bql h LYS 1289CO 0.00 0.51 0.00 0.09 -2.27 0.00 0.00 179.45 177.78 3bql n ASN 1290N -4.46 2.33 -4.79 4.20 4.13 -1.26 -4.99 115.26 110.42 3bql n ASN 1290Ca 0.08 -1.92 -0.36 0.00 1.68 0.00 0.00 54.58 54.07 3bql n ASN 1290Cb 0.13 -0.10 -0.04 0.00 -1.54 0.00 0.00 39.78 38.24 3bql n ASN 1290CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3bql s ASP 1291N -0.94 6.55 0.79 6.41 1.11 -1.21 -5.05 116.67 124.32 3bql s ASP 1291Ca 0.10 2.02 -0.11 0.00 0.18 0.00 0.00 52.55 54.75 3bql s ASP 1291Cb 0.05 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.54 3bql s ASP 1291CO 0.07 -0.64 1.10 0.42 1.18 0.00 0.00 175.17 177.31 3bql s THR 1292N -1.77 3.12 0.42 -1.27 -4.23 -1.26 -4.88 115.64 105.77 3bql s THR 1292Ca 0.62 0.37 0.22 0.00 -1.18 0.00 0.00 61.69 61.72 3bql s THR 1292Cb -0.20 -2.79 0.24 0.00 1.34 0.00 0.00 72.50 71.09 3bql s THR 1292CO 0.25 -0.47 2.02 0.07 -0.54 0.00 0.00 174.62 175.96 3bql h LYS 1293N -1.19 0.00 -0.43 3.99 2.10 -1.94 -1.55 116.57 117.55 3bql h LYS 1293Ca -0.44 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.18 3bql h LYS 1293Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 3bql h LYS 1293CO 0.50 0.16 0.16 0.93 -2.00 0.00 0.00 179.45 179.20 3bql h GLU 1294N 0.00 0.66 -0.26 0.07 3.07 -1.99 -1.23 114.58 114.90 3bql h GLU 1294Ca -0.00 -0.13 -0.19 0.00 -0.50 0.00 0.00 59.36 58.54 3bql h GLU 1294Cb 0.37 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3bql h GLU 1294CO 0.02 0.62 -0.57 1.25 -1.40 0.00 0.00 179.01 178.94 3bql h LEU 1295N 0.56 0.92 -0.21 1.33 5.85 -1.84 -2.27 115.31 119.64 3bql h LEU 1295Ca 0.14 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3bql h LEU 1295Cb 0.23 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3bql h LEU 1295CO -0.01 1.29 0.04 0.25 -0.34 0.00 0.00 178.44 179.67 3bql h LEU 1296N 0.62 0.01 -0.57 2.25 5.85 -1.31 -0.74 115.31 121.43 3bql h LEU 1296Ca 0.01 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3bql h LEU 1296Cb 1.17 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 3bql h LEU 1296CO 0.12 0.03 0.20 0.50 -0.34 0.00 0.00 178.44 178.95 3bql h LYS 1297N 0.12 0.36 -0.80 1.25 3.64 -1.20 0.12 116.57 120.06 3bql h LYS 1297Ca 0.10 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3bql h LYS 1297Cb 0.09 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3bql h LYS 1297CO -0.13 0.24 0.39 1.49 -2.27 0.00 0.00 179.45 179.17 3bql h GLU 1298N 0.37 1.15 -0.28 1.90 4.57 -1.14 -1.00 114.58 120.15 3bql h GLU 1298Ca 0.28 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 3bql h GLU 1298Cb 0.34 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3bql h GLU 1298CO -0.29 0.89 -0.30 0.87 -1.18 0.00 0.00 179.01 178.99 3bql h LYS 1299N 1.13 0.58 -0.21 1.92 1.57 -0.60 -1.34 116.57 119.63 3bql h LYS 1299Ca 0.28 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3bql h LYS 1299Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3bql h LYS 1299CO -0.04 0.82 0.01 0.82 -0.57 0.00 0.00 179.45 180.50 3bql h ILE 1300N 0.50 1.24 -0.64 1.86 2.04 -0.78 -2.21 117.51 119.53 3bql h ILE 1300Ca 0.06 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.11 3bql h ILE 1300Cb 0.78 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3bql h ILE 1300CO 0.06 0.26 0.41 0.50 0.00 0.00 0.00 178.15 179.38 3bql h LYS 1301N 0.13 0.81 -0.47 2.37 3.64 -1.03 -0.08 116.57 121.94 3bql h LYS 1301Ca 0.06 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3bql h LYS 1301Cb 0.37 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3bql h LYS 1301CO 0.01 0.53 0.26 -0.91 -2.27 0.00 0.00 179.45 177.07 3bql h ASN 1302N 0.83 0.58 -0.62 4.20 2.35 -1.25 -0.97 115.58 120.70 3bql h ASN 1302Ca 0.24 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3bql h ASN 1302Cb -0.06 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 3bql h ASN 1302CO -0.07 0.50 0.34 0.00 -1.65 0.00 0.00 177.43 176.56 3bql h ALA 1303N 1.10 0.79 -0.53 -0.83 0.00 -0.91 -0.67 119.26 118.21 3bql h ALA 1303Ca 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3bql h ALA 1303Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3bql h ALA 1303CO -0.03 0.31 0.06 0.82 0.00 0.00 0.00 179.25 180.41 3bql h ILE 1304N 0.84 1.26 -0.19 0.00 2.04 -0.88 0.45 117.51 121.03 3bql h ILE 1304Ca 0.22 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3bql h ILE 1304Cb 0.04 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3bql h ILE 1304CO -0.04 0.36 0.12 -0.74 0.00 0.00 0.00 178.15 177.85 3bql h HIS 1305N 0.77 0.25 -0.42 1.37 2.76 -0.97 -1.53 115.15 117.38 3bql h HIS 1305Ca 0.16 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3bql h HIS 1305Cb 0.45 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3bql h HIS 1305CO 0.03 0.19 -0.02 -0.22 -1.30 0.00 0.00 177.93 176.62 3bql h LYS 1306N 0.23 0.75 -0.66 5.26 1.63 -0.96 -2.05 116.57 120.78 3bql h LYS 1306Ca 0.07 -0.25 0.09 0.00 -0.85 0.00 0.00 60.65 59.70 3bql h LYS 1306Cb 0.02 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.52 3bql h LYS 1306CO -0.01 0.84 0.31 1.49 -3.45 0.00 0.00 179.45 178.63 3bql h GLU 1307N 0.59 0.52 -0.09 1.90 4.57 -0.75 0.16 114.58 121.49 3bql h GLU 1307Ca 0.12 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3bql h GLU 1307Cb 0.51 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3bql h GLU 1307CO 0.03 0.35 0.05 1.15 -1.18 0.00 0.00 179.01 179.40 3bql h THR 1308N 0.54 1.08 -0.57 0.32 2.02 -1.02 0.18 112.91 115.46 3bql h THR 1308Ca 0.32 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.34 3bql h THR 1308Cb 0.34 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3bql h THR 1308CO -0.26 0.07 0.28 -0.33 0.37 0.00 0.00 175.52 175.65 3bql h GLU 1309N 0.05 0.52 -0.13 6.66 5.08 -0.93 -0.17 114.58 125.66 3bql h GLU 1309Ca 0.03 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3bql h GLU 1309Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3bql h GLU 1309CO -0.00 0.34 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.73 3bql h LEU 1310N 0.53 0.43 -0.63 1.33 3.38 -0.71 -2.63 115.31 117.00 3bql h LEU 1310Ca 0.26 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3bql h LEU 1310Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3bql h LEU 1310CO -0.19 0.89 -0.26 -0.07 0.09 0.00 0.00 178.44 178.90 3bql h LEU 1311N 0.30 0.82 -0.32 1.67 3.38 -0.30 -1.04 115.31 119.81 3bql h LEU 1311Ca 0.00 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.72 3bql h LEU 1311Cb 1.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3bql h LEU 1311CO 0.09 1.04 -0.02 0.22 0.09 0.00 0.00 178.44 179.86 3bql h TYR 1312N 0.69 -0.05 -0.60 1.13 5.03 -0.80 -1.66 116.97 120.70 3bql h TYR 1312Ca 0.09 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3bql h TYR 1312Cb 0.79 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 39.11 3bql h TYR 1312CO 0.04 -0.08 0.33 1.49 -1.32 0.00 0.00 178.16 178.62 3bql h GLU 1313N 0.07 0.84 -0.12 1.82 4.81 -1.24 0.24 114.58 121.00 3bql h GLU 1313Ca 0.16 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3bql h GLU 1313Cb 0.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3bql h GLU 1313CO -0.28 0.64 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.53 3bql h TYR 1314N 0.81 0.20 0.06 0.92 -0.00 -0.76 -1.87 116.97 116.33 3bql h TYR 1314Ca 0.21 -0.03 -0.35 0.00 -0.00 0.00 0.00 58.73 58.56 3bql h TYR 1314Cb 0.05 -0.06 -0.04 0.00 -0.00 0.00 0.00 36.73 36.68 3bql h TYR 1314CO -0.01 0.38 -2.05 0.72 -0.00 0.00 0.00 178.16 177.19 3bql n HIS 1315N -4.24 0.86 -0.27 -3.82 8.25 -0.66 -1.83 115.22 113.50 3bql n HIS 1315Ca -0.01 0.22 -0.02 0.00 -0.26 0.00 0.00 57.72 57.64 3bql n HIS 1315Cb 0.30 -1.13 0.15 0.00 1.12 0.00 0.00 29.99 30.44 3bql n HIS 1315CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3bql h ASP 1316N 0.04 1.00 0.33 0.41 3.58 -0.48 -1.87 116.42 119.43 3bql h ASP 1316Ca -0.43 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.94 3bql h ASP 1316Cb 2.03 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.82 3bql h ASP 1316CO 0.05 0.80 0.00 0.35 -2.88 0.00 0.00 179.24 177.56 3bql n THR 1317N -4.35 0.15 -1.24 2.25 -2.24 -0.71 -4.89 114.28 103.25 3bql n THR 1317Ca 0.08 0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3bql n THR 1317Cb 0.09 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 3bql n THR 1317CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bql n GLY 1318N 0.76 1.00 0.12 3.38 0.00 -0.70 -4.94 105.19 104.82 3bql n GLY 1318Ca 0.14 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 3bql n GLY 1318CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bql h THR 1319N 0.00 1.12 -2.56 2.61 2.02 -1.67 -3.43 112.91 111.00 3bql h THR 1319Ca -0.17 -2.44 -0.55 0.00 0.77 0.00 0.00 66.41 64.02 3bql h THR 1319Cb 0.53 2.82 0.06 0.00 -1.74 0.00 0.00 68.15 69.82 3bql h THR 1319CO 0.24 0.72 0.88 0.00 0.37 0.00 0.00 175.52 177.73 3bql n ALA 1320N -2.90 2.05 -0.29 6.16 0.00 -0.76 -4.85 120.51 119.93 3bql n ALA 1320Ca -0.23 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.74 3bql n ALA 1320Cb 0.90 -2.42 0.26 0.00 0.00 0.00 0.00 19.45 18.19 3bql n ALA 1320CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bql h ILE 1321N 3.61 0.49 0.00 0.00 2.04 -1.88 -0.31 117.51 121.46 3bql h ILE 1321Ca -0.44 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3bql h ILE 1321Cb 1.23 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3bql h ILE 1321CO 0.89 0.06 0.00 2.30 0.00 0.00 0.00 178.15 181.41 3bql n ILE 1322N -5.09 0.41 1.20 -0.67 -5.35 -1.26 -2.24 119.36 106.35 3bql n ILE 1322Ca 0.19 0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.90 3bql n ILE 1322Cb 0.58 -0.75 0.31 0.00 -1.74 0.00 0.00 39.64 38.04 3bql n ILE 1322CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3bql n SER 1323N -1.34 1.19 -4.85 7.28 3.41 -0.13 -4.09 113.62 115.10 3bql n SER 1323Ca 0.09 -0.99 -0.32 0.00 -0.26 0.00 0.00 58.87 57.38 3bql n SER 1323Cb 0.19 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 3bql n SER 1323CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3bql s LYS 1324N -2.51 3.99 0.48 4.33 1.02 -0.95 -3.10 119.74 123.00 3bql s LYS 1324Ca 0.23 0.81 -0.12 0.00 0.02 0.00 0.00 55.97 56.91 3bql s LYS 1324Cb 0.19 -2.28 -0.06 0.00 -0.52 0.00 0.00 37.83 35.16 3bql s LYS 1324CO 0.53 -0.05 0.88 1.21 -0.92 0.00 0.00 175.35 177.01 3bql s ASN 1325N -2.66 6.49 0.62 2.83 3.84 -1.25 -4.58 114.94 120.21 3bql s ASN 1325Ca 0.57 1.29 0.27 0.00 0.21 0.00 0.00 52.86 55.20 3bql s ASN 1325Cb -0.10 -2.40 1.32 0.00 -0.55 0.00 0.00 41.25 39.52 3bql s ASN 1325CO 0.23 -0.55 1.74 0.44 -2.79 0.00 0.00 177.10 176.17 3bql h ASP 1326N 0.81 0.00 -3.43 -4.21 5.19 -1.92 -3.42 116.42 109.44 3bql h ASP 1326Ca -0.47 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.29 3bql h ASP 1326Cb 1.19 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.56 3bql h ASP 1326CO 0.63 0.00 -0.68 -0.75 -3.12 0.00 0.00 179.24 175.31 3bql s LYS 1327N -4.42 2.45 0.18 3.56 2.20 -1.26 -4.57 119.74 117.88 3bql s LYS 1327Ca -0.03 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.41 3bql s LYS 1327Cb 0.13 -2.48 -0.08 0.00 -1.51 0.00 0.00 37.83 33.89 3bql s LYS 1327CO 0.43 0.54 1.09 0.21 -0.36 0.00 0.00 175.35 177.26 3bql s LYS 1328N -2.17 4.61 0.00 4.03 2.20 -1.26 -3.46 119.74 123.69 3bql s LYS 1328Ca 0.24 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 3bql s LYS 1328Cb -0.11 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3bql s LYS 1328CO 0.16 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.66 3bql n GLY 1329N 2.01 2.63 3.79 5.54 0.00 -1.26 -4.99 105.19 112.91 3bql n GLY 1329Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3bql n GLY 1329CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bql s GLN 1330N -0.01 4.16 0.26 1.61 0.74 -1.22 -5.05 119.66 120.15 3bql s GLN 1330Ca 0.00 1.35 -0.16 0.00 0.05 0.00 0.00 55.36 56.60 3bql s GLN 1330Cb 0.00 -2.39 -0.08 0.00 1.10 0.00 0.00 33.01 31.64 3bql s GLN 1330CO 0.00 -0.12 0.69 -1.59 -0.55 0.00 0.00 175.29 173.72 3bql s LYS 1331N -2.76 4.06 0.32 1.67 -2.85 -1.26 -3.96 119.74 114.95 3bql s LYS 1331Ca 0.60 0.67 -0.29 0.00 -1.00 0.00 0.00 55.97 55.95 3bql s LYS 1331Cb -0.17 -2.66 -0.10 0.00 -2.06 0.00 0.00 37.83 32.84 3bql s LYS 1331CO 0.22 0.29 1.25 0.20 0.10 0.00 0.00 175.35 177.41 3bql s GLY 1332N -2.01 3.01 0.16 0.59 0.00 -1.18 -4.53 107.32 103.35 3bql s GLY 1332Ca 0.48 1.16 -0.31 0.00 0.00 0.00 0.00 44.72 46.05 3bql s GLY 1332CO 0.19 1.81 1.53 1.25 0.00 0.00 0.00 173.10 177.88 3bql s LYS 1333N -1.67 4.23 0.39 2.90 2.36 -1.26 -4.54 119.74 122.16 3bql s LYS 1333Ca 0.48 2.31 -0.26 0.00 -2.55 0.00 0.00 55.97 55.95 3bql s LYS 1333Cb -0.38 -3.17 -0.11 0.00 -1.05 0.00 0.00 37.83 33.12 3bql s LYS 1333CO 0.50 -0.58 1.10 0.09 1.55 0.00 0.00 175.35 178.01 3bql n ASN 1334N 3.97 1.73 -4.90 1.43 3.02 -1.26 -4.18 115.26 115.06 3bql n ASN 1334Ca 0.13 1.09 -0.28 0.00 -0.03 0.00 0.00 54.58 55.49 3bql n ASN 1334Cb 0.39 -1.39 0.03 0.00 -0.61 0.00 0.00 39.78 38.20 3bql n ASN 1334CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3bql s ASP 1335N -0.62 5.65 0.00 6.41 1.47 -0.31 -4.79 116.67 124.49 3bql s ASP 1335Ca 0.61 0.94 0.24 0.00 1.18 0.00 0.00 52.55 55.52 3bql s ASP 1335Cb -0.57 -1.89 0.33 0.00 -0.34 0.00 0.00 42.92 40.45 3bql s ASP 1335CO 0.58 -1.10 1.29 -2.65 0.68 0.00 0.00 175.17 173.97 3bql n PRO 1336N -2.72 0.26 -0.13 2.11 -0.02 -1.26 0.21 135.00 133.45 3bql n PRO 1336Ca 0.05 -0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.46 3bql n PRO 1336Cb 0.57 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.85 3bql n PRO 1336CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bql n ASN 1337N -1.22 2.29 0.00 2.55 3.02 -1.26 -4.97 115.26 115.68 3bql n ASN 1337Ca 0.07 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 3bql n ASN 1337Cb 0.35 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3bql n ASN 1337CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bql n GLY 1338N 1.25 0.78 3.91 7.41 0.00 0.57 -4.81 105.19 114.31 3bql n GLY 1338Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3bql n GLY 1338CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bql s LEU 1339N 0.00 4.03 0.52 0.99 1.43 -1.12 -4.80 118.68 119.73 3bql s LEU 1339Ca 0.00 0.71 -0.22 0.00 -1.03 0.00 0.00 54.13 53.59 3bql s LEU 1339Cb 0.00 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 3bql s LEU 1339CO 0.00 -0.23 1.30 -2.65 0.23 0.00 0.00 176.35 175.00 3bql n PRO 1340N -1.08 1.66 -1.65 1.29 -0.02 -1.26 -1.16 135.00 132.78 3bql n PRO 1340Ca -0.02 0.61 -0.47 0.00 -2.02 0.00 0.00 63.50 61.60 3bql n PRO 1340Cb 0.54 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3bql n PRO 1340CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bql n LYS 1341N -0.77 1.92 0.00 -0.52 4.81 -1.26 -2.27 118.16 120.08 3bql n LYS 1341Ca 0.10 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3bql n LYS 1341Cb 0.44 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.09 3bql n LYS 1341CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bql n GLY 1342N 2.83 2.96 0.21 3.14 0.00 -1.26 -3.90 105.19 109.18 3bql n GLY 1342Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3bql n GLY 1342CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bql h PHE 1343N 0.00 -0.42 -0.69 1.61 3.57 -1.81 -0.48 116.94 118.73 3bql h PHE 1343Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3bql h PHE 1343Cb 0.00 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3bql h PHE 1343CO 0.00 -0.24 0.33 0.00 -2.23 0.00 0.00 178.31 176.18 3bql h HIS 1345N 0.96 -0.04 -0.57 0.00 3.86 -1.85 0.02 115.15 117.52 3bql h HIS 1345Ca 0.24 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.49 3bql h HIS 1345Cb 0.12 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 3bql h HIS 1345CO 0.00 -0.04 0.35 0.00 0.86 0.00 0.00 177.93 179.10 3bql h ALA 1346N 1.14 0.74 -0.68 2.45 0.00 -0.84 -0.68 119.26 121.38 3bql h ALA 1346Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3bql h ALA 1346Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3bql h ALA 1346CO -0.13 0.07 0.21 0.28 0.00 0.00 0.00 179.25 179.68 3bql h VAL 1347N 0.69 1.25 -0.53 0.00 2.07 -0.89 -0.66 116.25 118.18 3bql h VAL 1347Ca 0.23 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3bql h VAL 1347Cb 0.03 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3bql h VAL 1347CO -0.10 0.34 0.21 1.56 0.02 0.00 0.00 177.57 179.60 3bql h GLN 1348N 1.00 0.79 -0.54 1.57 4.20 -0.71 -1.25 115.11 120.17 3bql h GLN 1348Ca 0.22 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3bql h GLN 1348Cb 0.30 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3bql h GLN 1348CO -0.01 0.70 0.09 0.00 -0.67 0.00 0.00 178.83 178.94 3bql h ARG 1349N 0.72 0.90 -0.71 1.46 3.08 -0.89 -1.78 114.38 117.16 3bql h ARG 1349Ca 0.18 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3bql h ARG 1349Cb 0.20 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3bql h ARG 1349CO -0.01 0.87 0.22 0.77 -1.07 0.00 0.00 179.97 180.75 3bql h SER 1350N 0.79 1.02 -0.56 7.04 0.02 -1.00 -1.54 113.55 119.32 3bql h SER 1350Ca 0.16 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3bql h SER 1350Cb 0.41 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3bql h SER 1350CO 0.01 0.95 0.37 0.15 -1.14 0.00 0.00 176.83 177.18 3bql h PHE 1351N 1.05 0.71 -0.80 3.45 3.57 -1.01 -0.57 116.94 123.33 3bql h PHE 1351Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3bql h PHE 1351Cb 0.30 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3bql h PHE 1351CO 0.02 0.45 0.51 0.82 -2.23 0.00 0.00 178.31 177.88 3bql h ILE 1352N 0.76 1.21 -0.76 1.41 2.04 -1.11 -1.46 117.51 119.60 3bql h ILE 1352Ca 0.21 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3bql h ILE 1352Cb -0.09 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.02 3bql h ILE 1352CO -0.05 0.21 0.49 0.44 0.00 0.00 0.00 178.15 179.25 3bql h ASP 1353N 1.09 0.89 -0.11 1.72 3.32 -0.70 -1.59 116.42 121.04 3bql h ASP 1353Ca 0.29 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.31 3bql h ASP 1353Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3bql h ASP 1353CO -0.06 0.66 0.04 1.88 -1.72 0.00 0.00 179.24 180.04 3bql h TYR 1354N 1.03 0.07 -0.51 4.55 -1.99 -0.78 -0.67 116.97 118.68 3bql h TYR 1354Ca 0.28 0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.08 3bql h TYR 1354Cb -0.09 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.56 3bql h TYR 1354CO -0.02 0.04 0.17 -0.22 -0.00 0.00 0.00 178.16 178.14 3bql h LYS 1355N 0.10 0.34 -0.18 4.88 3.64 -1.06 0.21 116.57 124.50 3bql h LYS 1355Ca 0.04 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 3bql h LYS 1355Cb 0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3bql h LYS 1355CO -0.04 0.22 -0.47 -0.91 -2.27 0.00 0.00 179.45 175.98 3bql h ASN 1356N 0.35 0.48 -0.32 4.20 4.21 -1.18 0.06 115.58 123.38 3bql h ASN 1356Ca 0.25 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3bql h ASN 1356Cb 0.27 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 3bql h ASN 1356CO -0.26 0.88 0.21 -0.03 -1.29 0.00 0.00 177.43 176.94 3bql h MET 1357N 0.36 0.42 -0.54 0.81 1.85 -0.58 -0.09 114.93 117.17 3bql h MET 1357Ca 0.02 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 3bql h MET 1357Cb 0.96 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.87 3bql h MET 1357CO 0.08 0.29 0.20 0.82 -0.40 0.00 0.00 176.91 177.90 3bql h ILE 1358N 0.43 1.22 0.00 1.77 2.04 -0.65 -2.75 117.51 119.56 3bql h ILE 1358Ca 0.12 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3bql h ILE 1358Cb -0.04 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3bql h ILE 1358CO -0.02 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.58 3bql n LEU 1359N -4.50 0.73 -1.68 1.44 4.32 -0.02 -4.78 117.00 112.51 3bql n LEU 1359Ca 0.02 0.63 -0.13 0.00 -0.02 0.00 0.00 56.01 56.52 3bql n LEU 1359Cb 0.17 -0.47 0.01 0.00 -1.62 0.00 0.00 43.42 41.51 3bql n LEU 1359CO 0.39 -0.40 -0.06 0.61 -1.22 0.00 0.00 177.39 176.71 3bql n GLY 1360N 0.56 -0.06 0.04 -0.72 0.00 -0.73 -4.94 105.19 99.34 3bql n GLY 1360Ca 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.81 3bql n GLY 1360CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bql n THR 1361N -3.99 1.43 0.00 2.61 -2.24 -0.12 -4.99 114.28 106.97 3bql n THR 1361Ca -0.10 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 3bql n THR 1361Cb 0.59 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3bql n THR 1361CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3bql n SER 1362N -0.97 0.00 -4.60 3.42 3.41 -1.16 -4.50 113.62 109.22 3bql n SER 1362Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.39 3bql n SER 1362Cb 0.46 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 3bql n SER 1362CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bql s VAL 1363N 1.96 3.50 -0.32 -3.33 1.01 -1.26 -4.19 120.40 117.76 3bql s VAL 1363Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.80 3bql s VAL 1363Cb 0.00 -2.64 0.32 0.00 0.00 0.00 0.00 36.38 34.07 3bql s VAL 1363CO 0.00 0.13 1.78 -0.46 0.00 0.00 0.00 175.10 176.55 3bql n ASN 1364N 0.72 5.08 0.07 3.32 2.04 -1.26 -4.61 115.26 120.62 3bql n ASN 1364Ca -0.13 -3.07 -0.11 0.00 -0.44 0.00 0.00 54.58 50.83 3bql n ASN 1364Cb 0.52 -0.87 -0.01 0.00 -2.53 0.00 0.00 39.78 36.89 3bql n ASN 1364CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 3bql h ILE 1365N 0.79 1.43 -3.82 1.53 6.09 -1.98 -3.41 117.51 118.14 3bql h ILE 1365Ca 0.36 -2.43 -0.63 0.00 -1.37 0.00 0.00 64.86 60.79 3bql h ILE 1365Cb 1.49 2.36 -0.16 0.00 0.47 0.00 0.00 36.82 40.97 3bql h ILE 1365CO 0.78 0.72 -0.48 -0.31 -3.07 0.00 0.00 178.15 175.79 3bql s TYR 1366N -3.34 3.24 0.55 2.19 1.51 -1.26 -4.95 117.35 115.29 3bql s TYR 1366Ca -0.05 0.18 0.24 0.00 -1.01 0.00 0.00 57.07 56.44 3bql s TYR 1366Cb 0.10 -2.39 1.59 0.00 -0.11 0.00 0.00 41.96 41.15 3bql s TYR 1366CO 0.84 -0.13 2.20 1.49 -1.11 0.00 0.00 175.55 178.85 3bql h GLU 1367N 8.19 0.00 0.00 -0.62 4.57 -1.98 0.36 114.58 125.10 3bql h GLU 1367Ca -0.35 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.64 3bql h GLU 1367Cb 1.18 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 3bql h GLU 1367CO 0.58 0.01 -1.05 1.12 -1.18 0.00 0.00 179.01 178.49 3bql h HIS 1368N 0.00 0.00 0.07 0.92 2.07 -1.96 -2.46 115.15 113.79 3bql h HIS 1368Ca -0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 3bql h HIS 1368Cb 0.03 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.98 3bql h HIS 1368CO 0.00 0.77 -1.69 0.82 -3.07 0.00 0.00 177.93 174.76 3bql h ILE 1369N 0.00 0.93 -0.28 6.12 1.08 -1.78 -1.91 117.51 121.67 3bql h ILE 1369Ca -0.08 -2.67 -0.01 0.00 -0.39 0.00 0.00 64.86 61.71 3bql h ILE 1369Cb 1.66 2.58 -0.01 0.00 -3.07 0.00 0.00 36.82 37.98 3bql h ILE 1369CO 0.09 0.73 0.15 1.23 -0.69 0.00 0.00 178.15 179.66 3bql h GLY 1370N 2.20 0.41 1.73 5.37 0.00 -0.45 0.46 103.07 112.79 3bql h GLY 1370Ca -0.30 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 3bql h GLY 1370CO 0.11 0.16 -0.49 1.70 0.00 0.00 0.00 176.54 178.03 3bql h LYS 1371N 0.39 0.29 -0.12 4.80 3.64 -1.40 -2.69 116.57 121.48 3bql h LYS 1371Ca 0.10 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3bql h LYS 1371Cb 0.02 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3bql h LYS 1371CO -0.02 0.72 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.57 3bql h LEU 1372N 0.23 0.41 -0.98 5.20 3.38 -0.48 -0.58 115.31 122.50 3bql h LEU 1372Ca 0.01 -0.56 0.19 0.00 0.09 0.00 0.00 57.88 57.61 3bql h LEU 1372Cb 0.94 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.47 3bql h LEU 1372CO 0.08 0.90 0.58 1.56 0.09 0.00 0.00 178.44 181.65 3bql h GLN 1373N -0.06 0.71 -0.05 1.13 4.20 -0.95 -1.31 115.11 118.78 3bql h GLN 1373Ca 0.00 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.44 3bql h GLN 1373Cb 0.83 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.46 3bql h GLN 1373CO 0.05 0.47 -0.89 1.49 -0.67 0.00 0.00 178.83 179.28 3bql h GLU 1374N 0.73 0.57 -0.17 1.46 4.57 -1.26 -2.70 114.58 117.77 3bql h GLU 1374Ca 0.57 -0.55 -0.18 0.00 -1.18 0.00 0.00 59.36 58.02 3bql h GLU 1374Cb 0.88 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3bql h GLU 1374CO -0.39 1.17 -0.63 -0.44 -1.18 0.00 0.00 179.01 177.54 3bql h ASP 1375N 0.35 0.68 0.04 1.04 3.32 -0.80 -2.85 116.42 118.20 3bql h ASP 1375Ca -0.08 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3bql h ASP 1375Cb 1.52 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 3bql h ASP 1375CO 0.17 1.14 -0.04 0.40 -1.72 0.00 0.00 179.24 179.19 3bql h ILE 1376N 0.44 0.91 -1.00 0.35 2.04 -1.28 -2.05 117.51 116.92 3bql h ILE 1376Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 3bql h ILE 1376Cb 1.20 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 38.10 3bql h ILE 1376CO 0.12 0.00 0.62 0.50 0.00 0.00 0.00 178.15 179.39 3bql h LYS 1377N -0.09 0.83 -0.23 2.37 3.64 -1.47 -1.71 116.57 119.91 3bql h LYS 1377Ca 0.00 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 3bql h LYS 1377Cb 0.08 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3bql h LYS 1377CO -0.01 0.55 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.21 3bql h LYS 1378N 0.85 0.61 -0.54 1.90 1.63 -1.25 -2.03 116.57 117.73 3bql h LYS 1378Ca 0.54 -0.34 0.03 0.00 -0.85 0.00 0.00 60.65 60.03 3bql h LYS 1378Cb 0.73 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.34 3bql h LYS 1378CO -0.32 0.95 0.31 0.82 -3.45 0.00 0.00 179.45 177.76 3bql h ILE 1379N 0.31 1.03 0.01 2.00 2.04 -0.85 -2.64 117.51 119.40 3bql h ILE 1379Ca 0.03 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3bql h ILE 1379Cb 0.86 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3bql h ILE 1379CO 0.07 0.11 -0.00 0.40 0.00 0.00 0.00 178.15 178.73 3bql h ILE 1380N 0.61 1.23 -0.46 -0.67 1.08 -1.25 -1.79 117.51 116.26 3bql h ILE 1380Ca 0.23 -0.69 0.08 0.00 -0.39 0.00 0.00 64.86 64.08 3bql h ILE 1380Cb 0.06 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.44 3bql h ILE 1380CO -0.12 0.18 0.05 -0.33 -0.69 0.00 0.00 178.15 177.24 3bql h GLU 1381N -0.30 0.17 -0.00 2.37 5.08 -1.37 -1.71 114.58 118.81 3bql h GLU 1381Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3bql h GLU 1381Cb 0.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3bql h GLU 1381CO 0.00 0.11 -0.08 0.36 -1.00 0.00 0.00 179.01 178.40 3bql n LYS 1382N -5.16 0.47 -0.03 2.33 2.85 -1.00 -3.67 118.16 113.96 3bql n LYS 1382Ca 0.04 -0.10 0.06 0.00 -1.05 0.00 0.00 58.31 57.26 3bql n LYS 1382Cb 0.23 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.18 3bql n LYS 1382CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bql n GLY 1383N 1.32 0.18 3.14 2.58 0.00 -0.68 -5.01 105.19 106.72 3bql n GLY 1383Ca 0.13 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3bql n GLY 1383CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bql s THR 1384N -1.00 0.78 0.25 2.61 -4.23 -0.71 -4.99 115.64 108.35 3bql s THR 1384Ca 0.16 -1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 3bql s THR 1384Cb 0.10 -1.14 -0.10 0.00 1.34 0.00 0.00 72.50 72.70 3bql s THR 1384CO 0.15 -0.53 1.45 -2.16 -0.54 0.00 0.00 174.62 172.99 3bql s PRO 1385N -2.48 4.26 0.60 3.99 0.04 -1.26 -4.87 135.00 135.27 3bql s PRO 1385Ca 0.01 2.32 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 3bql s PRO 1385Cb -0.04 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3bql s PRO 1385CO -0.01 -0.43 1.10 -1.14 0.04 0.00 0.00 177.00 176.56 3bql s GLN 1386N -0.42 3.16 0.00 4.56 0.74 -1.26 -5.07 119.66 121.37 3bql s GLN 1386Ca 0.59 1.41 0.00 0.00 0.05 0.00 0.00 55.36 57.41 3bql s GLN 1386Cb -0.42 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 31.69 3bql s GLN 1386CO 0.44 -0.97 0.00 0.00 -0.55 0.00 0.00 175.29 174.21 3bql n GLN 1387N -1.88 0.00 0.00 1.67 10.64 -1.26 -5.21 117.38 121.34 3bql n GLN 1387Ca 0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 3bql n GLN 1387Cb 0.52 -0.65 0.00 0.00 -0.86 0.00 0.00 30.24 29.25 3bql n GLN 1387CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3bql n SER 1397N -1.86 0.00 0.00 2.61 7.64 -1.26 -5.17 113.62 115.58 3bql n SER 1397Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 3bql n SER 1397Cb 0.17 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 63.89 3bql n SER 1397CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3bql n THR 1398N 0.00 0.33 0.09 0.44 -2.24 -1.26 -3.23 114.28 108.41 3bql n THR 1398Ca 0.00 0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 3bql n THR 1398Cb 0.00 -0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 3bql n THR 1398CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3bql h GLU 1399N 0.00 0.31 -0.44 -0.78 5.08 -1.99 -0.76 114.58 116.00 3bql h GLU 1399Ca 0.00 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 3bql h GLU 1399Cb 0.40 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3bql h GLU 1399CO 0.00 1.18 0.11 -0.91 -1.00 0.00 0.00 179.01 178.39 3bql h ASN 1400N 0.12 0.61 -0.43 1.42 4.21 -1.97 -1.42 115.58 118.12 3bql h ASN 1400Ca -0.12 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.28 3bql h ASN 1400Cb 1.84 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 38.86 3bql h ASN 1400CO 0.19 0.60 0.17 0.58 -1.29 0.00 0.00 177.43 177.69 3bql h VAL 1401N 0.64 1.20 -0.32 2.81 2.07 -1.47 0.18 116.25 121.37 3bql h VAL 1401Ca 0.15 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3bql h VAL 1401Cb 0.24 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3bql h VAL 1401CO -0.00 0.23 0.07 -1.13 0.02 0.00 0.00 177.57 176.76 3bql h ASN 1402N 0.55 0.04 -0.28 0.57 -1.24 -0.98 -1.28 115.58 112.96 3bql h ASN 1402Ca 0.14 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 3bql h ASN 1402Cb 0.19 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 3bql h ASN 1402CO -0.01 0.06 0.14 0.00 -1.29 0.00 0.00 177.43 176.33 3bql h ALA 1403N 1.23 0.36 -0.12 1.57 0.00 -1.05 -1.90 119.26 119.34 3bql h ALA 1403Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3bql h ALA 1403Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3bql h ALA 1403CO -0.19 -0.10 -0.05 2.35 0.00 0.00 0.00 179.25 181.27 3bql h TRP 1404N 0.33 -0.11 -0.53 0.00 7.01 -0.47 -0.16 115.95 122.00 3bql h TRP 1404Ca 0.10 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.22 3bql h TRP 1404Cb 0.09 0.07 -0.09 0.00 -2.10 0.00 0.00 29.16 27.13 3bql h TRP 1404CO -0.03 -0.08 -0.02 2.35 -2.79 0.00 0.00 178.44 177.88 3bql h TRP 1405N -0.04 -0.06 -0.49 2.65 2.91 -1.17 -1.13 115.95 118.63 3bql h TRP 1405Ca 0.06 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.06 3bql h TRP 1405Cb 0.13 0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.87 3bql h TRP 1405CO -0.18 -0.14 0.04 0.87 -1.03 0.00 0.00 178.44 178.00 3bql h LYS 1406N 0.10 0.78 0.00 2.65 1.57 -0.81 0.11 116.57 120.98 3bql h LYS 1406Ca 0.27 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3bql h LYS 1406Cb 0.42 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3bql h LYS 1406CO -0.46 0.77 -0.18 0.78 -0.57 0.00 0.00 179.45 179.78 3bql h GLY 1407N 0.96 0.00 0.00 3.86 0.00 -0.24 -3.22 103.07 104.43 3bql h GLY 1407Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3bql h GLY 1407CO 0.01 0.00 -0.80 0.29 0.00 0.00 0.00 176.54 176.05 3bql n ILE 1408N -3.61 0.00 -0.23 2.60 -5.35 -0.50 -4.73 119.36 107.55 3bql n ILE 1408Ca -0.01 -0.13 0.03 0.00 -0.27 0.00 0.00 62.75 62.37 3bql n ILE 1408Cb 0.32 0.97 0.14 0.00 -1.74 0.00 0.00 39.64 39.33 3bql n ILE 1408CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3bql h GLU 1409N 0.00 0.19 -0.33 6.28 4.81 -0.81 -0.76 114.58 123.96 3bql h GLU 1409Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3bql h GLU 1409Cb 0.39 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3bql h GLU 1409CO 0.00 0.13 0.14 0.00 -0.73 0.00 0.00 179.01 178.55 3bql h ARG 1410N 0.20 0.48 -0.86 1.92 2.47 -1.85 -0.81 114.38 115.93 3bql h ARG 1410Ca 0.37 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3bql h ARG 1410Cb 0.62 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 3bql h ARG 1410CO -0.52 0.46 0.55 1.49 0.56 0.00 0.00 179.97 182.51 3bql h GLU 1411N 0.39 1.15 -0.32 0.04 4.81 -1.68 -0.11 114.58 118.86 3bql h GLU 1411Ca 0.11 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3bql h GLU 1411Cb 0.15 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3bql h GLU 1411CO -0.01 0.78 0.04 0.52 -0.73 0.00 0.00 179.01 179.61 3bql h MET 1412N 1.18 0.54 -0.69 1.92 2.86 -0.71 -2.39 114.93 117.64 3bql h MET 1412Ca 0.31 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3bql h MET 1412Cb -0.10 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3bql h MET 1412CO -0.06 0.64 0.33 2.35 1.06 0.00 0.00 176.91 181.23 3bql h TRP 1413N 0.36 0.97 -0.06 -0.22 2.91 -0.96 -2.15 115.95 116.79 3bql h TRP 1413Ca 0.10 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.10 3bql h TRP 1413Cb 0.38 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 28.72 3bql h TRP 1413CO 0.03 0.70 0.05 -0.44 -1.03 0.00 0.00 178.44 177.75 3bql h ASP 1414N 0.97 0.00 -0.80 2.65 3.32 -0.69 -0.87 116.42 121.01 3bql h ASP 1414Ca 0.24 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3bql h ASP 1414Cb 0.09 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3bql h ASP 1414CO -0.03 0.00 0.32 0.00 -1.72 0.00 0.00 179.24 177.81 3bql h ALA 1415N 1.95 1.06 0.25 3.45 0.00 -0.89 0.19 119.26 125.28 3bql h ALA 1415Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3bql h ALA 1415Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3bql h ALA 1415CO -0.00 0.67 -0.12 0.28 0.00 0.00 0.00 179.25 180.07 3bql h VAL 1416N 1.16 0.80 -0.71 0.00 2.07 -1.20 -1.93 116.25 116.44 3bql h VAL 1416Ca 0.27 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.48 3bql h VAL 1416Cb 0.21 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 3bql h VAL 1416CO -0.02 0.09 0.34 0.03 0.02 0.00 0.00 177.57 178.02 3bql h ARG 1417N -0.55 0.56 -0.22 1.57 3.08 -1.08 -0.52 114.38 117.21 3bql h ARG 1417Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3bql h ARG 1417Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3bql h ARG 1417CO 0.06 0.37 0.14 0.00 -1.07 0.00 0.00 179.97 179.47 3bql h ALA 1419N 1.07 1.40 -0.36 0.00 0.00 -0.84 -1.66 119.26 118.87 3bql h ALA 1419Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3bql h ALA 1419Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3bql h ALA 1419CO -0.02 0.52 0.03 0.82 0.00 0.00 0.00 179.25 180.60 3bql h ILE 1420N 1.17 1.25 -0.99 0.00 2.04 -0.77 -2.67 117.51 117.53 3bql h ILE 1420Ca 0.36 -0.92 0.17 0.00 1.00 0.00 0.00 64.86 65.47 3bql h ILE 1420Cb -0.02 1.13 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 3bql h ILE 1420CO -0.10 0.31 0.60 0.74 0.00 0.00 0.00 178.15 179.70 3bql h THR 1421N 0.45 0.75 0.00 -0.27 2.02 -0.53 -0.56 112.91 114.76 3bql h THR 1421Ca 0.11 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3bql h THR 1421Cb 0.41 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3bql h THR 1421CO 0.01 0.15 0.00 0.29 0.37 0.00 0.00 175.52 176.34 3bql n LYS 1422N -4.75 0.08 0.19 6.66 5.02 -0.67 -2.51 118.16 122.18 3bql n LYS 1422Ca 0.22 0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.81 3bql n LYS 1422Cb 0.52 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.41 3bql n LYS 1422CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3bql h ILE 1423N 0.00 0.97 -1.13 -0.18 2.04 -1.08 -2.94 117.51 115.18 3bql h ILE 1423Ca 0.00 -1.37 0.33 0.00 1.00 0.00 0.00 64.86 64.82 3bql h ILE 1423Cb 0.16 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3bql h ILE 1423CO 0.00 0.35 0.82 0.78 0.00 0.00 0.00 178.15 180.10 3bql h ASN 1424N 0.00 0.00 0.66 1.72 -0.26 -1.66 0.13 115.58 116.18 3bql h ASN 1424Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3bql h ASN 1424Cb 0.78 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 3bql h ASN 1424CO 0.05 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.71 3bql n LYS 1425N -4.20 0.08 0.00 0.81 5.02 -1.11 -3.83 118.16 114.93 3bql n LYS 1425Ca 0.24 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3bql n LYS 1425Cb 1.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 3bql n LYS 1425CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bql n LYS 1426N -1.44 2.44 -3.76 1.97 5.02 0.38 -5.10 118.16 117.67 3bql n LYS 1426Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 3bql n LYS 1426Cb 0.23 -0.80 -0.12 0.00 -0.02 0.00 0.00 35.03 34.33 3bql n LYS 1426CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3bql s ASN 1427N -1.22 -0.29 -0.08 4.39 3.84 -0.65 -5.06 114.94 115.86 3bql s ASN 1427Ca 0.00 0.56 0.12 0.00 0.21 0.00 0.00 52.86 53.75 3bql s ASN 1427Cb 0.00 0.53 0.19 0.00 -0.55 0.00 0.00 41.25 41.41 3bql s ASN 1427CO 0.00 -0.12 1.09 0.59 -2.79 0.00 0.00 177.10 175.87 3bql n ASN 1428N 3.35 2.15 0.17 -4.21 3.02 -1.26 -4.67 115.26 113.81 3bql n ASN 1428Ca -0.17 -2.69 0.06 0.00 -0.03 0.00 0.00 54.58 51.75 3bql n ASN 1428Cb 0.57 -0.28 0.17 0.00 -0.61 0.00 0.00 39.78 39.63 3bql n ASN 1428CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3bql h ASN 1429N 0.00 0.00 -1.35 6.41 2.35 -1.97 -3.48 115.58 117.54 3bql h ASN 1429Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3bql h ASN 1429Cb 0.85 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 3bql h ASN 1429CO 0.00 0.37 0.13 -0.24 -1.65 0.00 0.00 177.43 176.05 3bql n SER 1430N -3.28 -0.59 -4.53 5.81 2.88 -1.26 -4.88 113.62 107.77 3bql n SER 1430Ca 0.02 -1.36 -0.34 0.00 -1.33 0.00 0.00 58.87 55.86 3bql n SER 1430Cb 0.62 0.97 -0.12 0.00 -0.75 0.00 0.00 64.21 64.94 3bql n SER 1430CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3bql s ILE 1431N -2.56 4.00 -0.29 2.46 -1.09 -1.26 -5.01 121.20 117.45 3bql s ILE 1431Ca 0.06 -0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 58.07 3bql s ILE 1431Cb -0.01 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.11 3bql s ILE 1431CO 0.02 0.50 0.11 -0.36 -1.23 0.00 0.00 174.94 173.99 3bql s PHE 1432N 0.24 3.14 -1.16 3.97 0.08 -1.26 -4.96 117.98 118.04 3bql s PHE 1432Ca -0.02 -0.65 0.25 0.00 0.12 0.00 0.00 56.93 56.63 3bql s PHE 1432Cb -0.14 -2.30 0.57 0.00 -0.57 0.00 0.00 43.02 40.59 3bql s PHE 1432CO 0.03 -0.47 1.46 0.27 -0.10 0.00 0.00 175.22 176.41 3bql n ASN 1433N 4.93 0.60 0.00 1.36 0.23 -1.26 -4.63 115.26 116.49 3bql n ASN 1433Ca -0.15 -0.37 0.00 0.00 -0.53 0.00 0.00 54.58 53.53 3bql n ASN 1433Cb 0.49 0.22 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 3bql n ASN 1433CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bql n GLY 1434N 1.47 0.64 0.97 4.83 0.00 -1.26 -4.82 105.19 107.02 3bql n GLY 1434Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3bql n GLY 1434CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bql n ASP 1435N 0.00 3.05 0.25 1.61 8.00 -1.26 -4.43 116.55 123.77 3bql n ASP 1435Ca 0.00 -1.94 0.07 0.00 0.71 0.00 0.00 54.79 53.64 3bql n ASP 1435Cb 0.00 -0.10 0.60 0.00 -0.02 0.00 0.00 41.12 41.60 3bql n ASP 1435CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3bql h GLU 1436N 4.27 0.00 -0.64 -1.24 3.07 -1.98 0.17 114.58 118.22 3bql h GLU 1436Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3bql h GLU 1436Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3bql h GLU 1436CO 0.00 0.07 0.00 0.00 -1.40 0.00 0.00 179.01 177.68 3bql n GLY 1438N 0.92 3.04 0.15 0.00 0.00 0.58 -4.91 105.19 104.96 3bql n GLY 1438Ca 0.24 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3bql n GLY 1438CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3bql h VAL 1439N 0.00 1.32 -2.96 1.61 -1.51 -1.91 -3.44 116.25 109.38 3bql h VAL 1439Ca 0.00 -1.98 -0.63 0.00 -1.23 0.00 0.00 66.70 62.86 3bql h VAL 1439Cb 0.00 2.09 -0.16 0.00 -2.13 0.00 0.00 31.29 31.09 3bql h VAL 1439CO 0.00 0.55 -0.77 -0.44 -1.23 0.00 0.00 177.57 175.68 3bql s SER 1440N -6.76 3.81 0.85 4.19 0.01 -1.26 -5.01 113.70 109.53 3bql s SER 1440Ca -0.01 -0.77 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 3bql s SER 1440Cb 0.12 -0.46 0.10 0.00 0.21 0.00 0.00 66.02 66.00 3bql s SER 1440CO 0.75 0.10 1.13 -2.16 0.41 0.00 0.00 173.24 173.46 3bql s PRO 1441N -2.88 1.58 0.72 12.44 0.04 -1.26 -5.01 135.00 140.63 3bql s PRO 1441Ca 0.24 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 3bql s PRO 1441Cb -0.08 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.68 3bql s PRO 1441CO 0.13 -2.19 1.07 -1.25 0.04 0.00 0.00 177.00 174.80 3bql s PRO 1442N -4.70 2.69 0.00 0.56 0.04 -1.26 -5.14 135.00 127.19 3bql s PRO 1442Ca 0.65 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3bql s PRO 1442Cb -0.21 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3bql s PRO 1442CO 0.56 -1.30 0.00 -2.37 0.04 0.00 0.00 177.00 173.93 3bql n THR 1443N -3.18 0.00 -2.03 1.26 5.66 -1.26 -4.99 114.28 109.74 3bql n THR 1443Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 3bql n THR 1443Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 3bql n THR 1443CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3bql n ASP 1448N -1.02 -1.15 -0.26 1.09 -0.08 -1.26 -5.22 116.55 108.65 3bql n ASP 1448Ca 0.00 1.10 0.10 0.00 -1.51 0.00 0.00 54.79 54.48 3bql n ASP 1448Cb 0.00 -1.95 0.35 0.00 2.34 0.00 0.00 41.12 41.86 3bql n ASP 1448CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3bql h GLN 1449N 4.01 0.73 -0.65 -0.67 4.15 -1.95 -1.32 115.11 119.40 3bql h GLN 1449Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3bql h GLN 1449Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 3bql h GLN 1449CO 0.00 0.48 0.38 0.66 -1.93 0.00 0.00 178.83 178.42 3bql h SER 1450N 0.75 0.79 -0.39 -0.69 4.64 -1.97 -0.94 113.55 115.74 3bql h SER 1450Ca 0.42 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 3bql h SER 1450Cb 0.58 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3bql h SER 1450CO -0.19 0.62 -0.04 0.58 -0.87 0.00 0.00 176.83 176.93 3bql h VAL 1451N 0.90 1.27 -0.71 0.95 2.07 -1.70 -1.86 116.25 117.17 3bql h VAL 1451Ca 0.23 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3bql h VAL 1451Cb -0.01 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3bql h VAL 1451CO -0.04 0.37 0.45 -1.28 0.02 0.00 0.00 177.57 177.09 3bql h SER 1452N 0.54 0.76 -0.56 0.57 0.87 -0.93 -0.54 113.55 114.27 3bql h SER 1452Ca 0.11 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3bql h SER 1452Cb 0.54 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3bql h SER 1452CO 0.03 0.54 0.09 -0.50 -0.53 0.00 0.00 176.83 176.45 3bql h TRP 1453N 0.90 0.98 -0.47 2.24 4.06 -1.13 -1.46 115.95 121.08 3bql h TRP 1453Ca 0.27 -0.14 -0.11 0.00 2.06 0.00 0.00 58.89 60.97 3bql h TRP 1453Cb -0.03 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 3bql h TRP 1453CO -0.03 0.87 -0.16 0.35 -3.56 0.00 0.00 178.44 175.91 3bql h PHE 1454N 0.81 1.05 -0.70 0.49 3.57 -1.19 -0.35 116.94 120.63 3bql h PHE 1454Ca 0.17 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3bql h PHE 1454Cb 0.42 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3bql h PHE 1454CO 0.03 1.03 0.44 0.87 -2.23 0.00 0.00 178.31 178.45 3bql h LYS 1455N 0.77 0.94 -0.35 1.11 1.57 -0.98 0.09 116.57 119.72 3bql h LYS 1455Ca 0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3bql h LYS 1455Cb 0.72 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3bql h LYS 1455CO 0.05 0.65 0.23 1.49 -0.57 0.00 0.00 179.45 181.30 3bql h GLU 1456N 0.95 0.45 -0.58 3.15 4.81 -1.06 -0.07 114.58 122.23 3bql h GLU 1456Ca 0.25 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.55 3bql h GLU 1456Cb -0.06 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.14 3bql h GLU 1456CO -0.05 0.30 0.17 2.35 -0.73 0.00 0.00 179.01 181.05 3bql h TRP 1457N 0.47 0.29 0.02 0.92 7.01 -0.62 -1.74 115.95 122.30 3bql h TRP 1457Ca 0.13 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 3bql h TRP 1457Cb -0.05 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 3bql h TRP 1457CO -0.05 0.04 -0.01 0.78 -2.79 0.00 0.00 178.44 176.41 3bql h GLY 1458N 0.33 -0.02 0.49 2.65 0.00 -0.59 0.14 103.07 106.07 3bql h GLY 1458Ca 0.30 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.70 3bql h GLY 1458CO -0.34 -0.01 0.11 -2.09 0.00 0.00 0.00 176.54 174.22 3bql h GLU 1459N -0.20 0.25 0.10 4.80 4.81 -0.85 0.30 114.58 123.78 3bql h GLU 1459Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3bql h GLU 1459Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3bql h GLU 1459CO 0.00 0.17 -0.05 0.37 -0.73 0.00 0.00 179.01 178.77 3bql h GLN 1460N 0.26 -0.13 -0.57 1.92 4.15 -1.22 -1.64 115.11 117.89 3bql h GLN 1460Ca 0.22 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.74 3bql h GLN 1460Cb 0.25 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 3bql h GLN 1460CO -0.26 -0.03 0.16 0.35 -1.93 0.00 0.00 178.83 177.12 3bql h PHE 1461N -0.19 0.28 -0.21 3.99 3.04 -0.45 -0.44 116.94 122.96 3bql h PHE 1461Ca -0.01 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.77 3bql h PHE 1461Cb 0.15 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.63 3bql h PHE 1461CO -0.05 0.04 -0.63 0.00 -2.02 0.00 0.00 178.31 175.64 3bql h ILE 1463N 0.56 1.11 -0.64 0.00 2.04 -1.12 -2.21 117.51 117.25 3bql h ILE 1463Ca -0.01 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3bql h ILE 1463Cb 1.23 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 3bql h ILE 1463CO 0.13 0.10 0.39 -0.33 0.00 0.00 0.00 178.15 178.43 3bql h GLU 1464N 0.05 0.72 -0.60 2.37 5.08 -0.90 -2.25 114.58 119.05 3bql h GLU 1464Ca 0.04 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3bql h GLU 1464Cb 0.11 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 3bql h GLU 1464CO -0.00 0.48 0.28 -0.09 -1.00 0.00 0.00 179.01 178.67 3bql h ARG 1465N 0.75 0.49 -0.00 2.33 2.43 -0.82 0.02 114.38 119.58 3bql h ARG 1465Ca 0.27 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3bql h ARG 1465Cb 0.07 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3bql h ARG 1465CO -0.12 0.33 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.23 3bql h LEU 1466N 0.51 0.01 -0.27 3.80 3.38 -1.05 -0.65 115.31 121.04 3bql h LEU 1466Ca 0.29 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.08 3bql h LEU 1466Cb 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3bql h LEU 1466CO -0.23 0.37 -0.52 0.03 0.09 0.00 0.00 178.44 178.17 3bql h ARG 1467N 0.01 0.83 -0.70 1.13 3.08 -0.78 -1.70 114.38 116.24 3bql h ARG 1467Ca -0.00 -0.53 0.07 0.00 0.07 0.00 0.00 59.98 59.58 3bql h ARG 1467Cb 0.64 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 3bql h ARG 1467CO 0.05 1.16 0.39 1.88 -1.07 0.00 0.00 179.97 182.38 3bql h TYR 1468N 0.59 0.71 -0.35 3.04 -1.99 -0.68 -2.28 116.97 116.01 3bql h TYR 1468Ca 0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3bql h TYR 1468Cb 1.13 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.63 3bql h TYR 1468CO 0.08 0.32 0.23 1.49 -0.00 0.00 0.00 178.16 180.28 3bql h GLU 1469N 0.70 0.46 -0.60 4.88 4.81 -0.95 -0.92 114.58 122.95 3bql h GLU 1469Ca 0.32 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3bql h GLU 1469Cb 0.23 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3bql h GLU 1469CO -0.20 0.30 0.40 0.37 -0.73 0.00 0.00 179.01 179.15 3bql h GLN 1470N 0.47 0.78 -0.22 1.92 5.75 -1.17 0.78 115.11 123.43 3bql h GLN 1470Ca 0.13 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3bql h GLN 1470Cb -0.05 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 3bql h GLN 1470CO -0.03 0.52 0.12 -0.91 -2.65 0.00 0.00 178.83 175.88 3bql h ASN 1471N 0.81 0.28 -0.27 -0.69 2.35 -1.17 0.11 115.58 116.99 3bql h ASN 1471Ca 0.22 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3bql h ASN 1471Cb -0.08 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3bql h ASN 1471CO -0.05 0.29 0.09 0.40 -1.65 0.00 0.00 177.43 176.50 3bql h ILE 1472N 0.24 0.92 -0.46 2.81 2.04 -0.88 0.08 117.51 122.27 3bql h ILE 1472Ca 0.08 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3bql h ILE 1472Cb 0.07 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3bql h ILE 1472CO -0.01 0.04 0.07 0.03 0.00 0.00 0.00 178.15 178.28 3bql h ARG 1473N 0.21 0.71 -0.18 2.37 3.08 -0.62 0.26 114.38 120.21 3bql h ARG 1473Ca 0.12 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3bql h ARG 1473Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3bql h ARG 1473CO -0.12 0.68 -0.42 0.93 -1.07 0.00 0.00 179.97 179.96 3bql h GLU 1474N 0.68 0.43 0.08 0.04 5.08 -0.41 -1.49 114.58 118.99 3bql h GLU 1474Ca 0.15 -0.22 -0.28 0.00 -1.00 0.00 0.00 59.36 58.01 3bql h GLU 1474Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3bql h GLU 1474CO 0.00 0.78 -1.39 0.00 -1.00 0.00 0.00 179.01 177.40 3bql h ALA 1475N 1.19 0.34 -0.07 3.43 0.00 -0.54 -3.37 119.26 120.24 3bql h ALA 1475Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3bql h ALA 1475Cb 0.89 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3bql h ALA 1475CO 0.08 1.21 0.00 0.00 0.00 0.00 0.00 179.25 180.53 3bql s THR 1477N -1.51 -0.61 0.00 0.00 2.01 -0.56 -4.57 115.64 110.40 3bql s THR 1477Ca 0.23 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.27 3bql s THR 1477Cb 0.16 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.93 3bql s THR 1477CO 0.24 -0.04 0.00 1.21 -0.69 0.00 0.00 174.62 175.34 3bql n GLU 1483N 5.37 0.00 -0.07 4.92 4.07 -1.26 -4.41 120.64 129.26 3bql n GLU 1483Ca -0.05 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 3bql n GLU 1483Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 3bql n GLU 1483CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3bql n LYS 1484N 1.47 0.33 -1.53 5.31 4.76 -1.26 -5.09 118.16 122.14 3bql n LYS 1484Ca 0.00 -0.70 -0.40 0.00 -2.87 0.00 0.00 58.31 54.34 3bql n LYS 1484Cb 0.00 -0.57 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 3bql n LYS 1484CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3bql n LYS 1485N -0.08 0.97 -3.86 1.97 5.02 -1.26 -4.81 118.16 116.12 3bql n LYS 1485Ca 0.00 0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 3bql n LYS 1485Cb 0.50 -2.93 -0.15 0.00 -0.02 0.00 0.00 35.03 32.43 3bql n LYS 1485CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bql s ILE 1487N 1.46 2.77 0.80 0.00 -1.09 -1.20 -4.67 121.20 119.27 3bql s ILE 1487Ca 0.01 0.72 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 3bql s ILE 1487Cb -0.18 -3.44 0.07 0.00 -1.58 0.00 0.00 42.46 37.33 3bql s ILE 1487CO -0.12 0.13 1.11 0.20 -1.23 0.00 0.00 174.94 175.03 3bql s ASN 1488N -0.70 4.19 0.00 3.58 0.01 -1.26 -1.38 114.94 119.37 3bql s ASN 1488Ca 0.53 1.93 0.00 0.00 -0.71 0.00 0.00 52.86 54.61 3bql s ASN 1488Cb -0.37 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.75 3bql s ASN 1488CO 0.49 -2.25 0.00 -1.54 -1.51 0.00 0.00 177.10 172.28 3bql n SER 1489N -3.59 0.00 0.50 -1.22 3.41 -1.26 -4.71 113.62 106.74 3bql n SER 1489Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3bql n SER 1489Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3bql n SER 1489CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bql n GLY 1494N 1.80 0.00 3.93 5.00 0.00 -1.26 -5.13 105.19 109.54 3bql n GLY 1494Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3bql n GLY 1494CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bql s ASP 1495N -0.99 6.37 0.03 1.61 1.01 -1.26 -5.11 116.67 118.33 3bql s ASP 1495Ca 0.00 0.29 0.09 0.00 0.71 0.00 0.00 52.55 53.64 3bql s ASP 1495Cb 0.00 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 3bql s ASP 1495CO 0.00 0.02 -0.25 -0.54 0.21 0.00 0.00 175.17 174.61 3bql s LYS 1496N -3.22 1.76 0.61 8.23 3.01 -0.48 -4.58 119.74 125.07 3bql s LYS 1496Ca 0.36 -1.04 -0.18 0.00 -1.01 0.00 0.00 55.97 54.10 3bql s LYS 1496Cb -0.11 -1.89 -0.03 0.00 -1.01 0.00 0.00 37.83 34.80 3bql s LYS 1496CO 0.29 0.49 1.18 0.96 0.51 0.00 0.00 175.35 178.78 3bql s ILE 1497N -0.77 2.77 0.02 2.17 -4.36 -1.26 -3.23 121.20 116.54 3bql s ILE 1497Ca 0.11 0.45 -0.13 0.00 -0.26 0.00 0.00 60.65 60.82 3bql s ILE 1497Cb -0.10 -3.12 0.02 0.00 1.25 0.00 0.00 42.46 40.51 3bql s ILE 1497CO 0.02 -0.13 0.27 -1.58 0.24 0.00 0.00 174.94 173.76 3bql s GLN 1498N -3.49 0.72 6.37 0.37 -0.44 -1.26 -4.74 119.66 117.19 3bql s GLN 1498Ca 0.75 -0.42 0.00 0.00 -2.50 0.00 0.00 55.36 53.19 3bql s GLN 1498Cb -0.28 0.31 0.00 0.00 -1.64 0.00 0.00 33.01 31.40 3bql s GLN 1498CO 0.34 -0.21 0.00 0.41 0.50 0.00 0.00 175.29 176.33 3bql n GLY 1499N 0.89 2.49 0.34 2.59 0.00 -1.26 -3.01 105.19 107.22 3bql n GLY 1499Ca -0.20 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.44 3bql n GLY 1499CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bql h ALA 1500N -0.73 1.26 0.41 4.61 0.00 -1.99 -1.79 119.26 121.02 3bql h ALA 1500Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bql h ALA 1500Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3bql h ALA 1500CO 0.00 0.31 -0.38 0.00 0.00 0.00 0.00 179.25 179.19 3bql h LYS 1502N -0.80 1.13 -0.09 0.00 3.64 -1.43 -1.37 116.57 117.66 3bql h LYS 1502Ca -0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3bql h LYS 1502Cb 0.70 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3bql h LYS 1502CO -0.04 0.75 0.00 -0.09 -2.27 0.00 0.00 179.45 177.80 3bql h ARG 1503N 1.16 0.16 -0.79 1.90 2.43 -1.06 0.57 114.38 118.75 3bql h ARG 1503Ca 0.44 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3bql h ARG 1503Cb 0.19 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3bql h ARG 1503CO -0.18 0.42 0.36 0.87 -1.51 0.00 0.00 179.97 179.92 3bql h LYS 1504N -0.12 1.14 -0.59 0.20 1.79 -0.95 -1.27 116.57 116.76 3bql h LYS 1504Ca 0.03 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 3bql h LYS 1504Cb 0.34 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 3bql h LYS 1504CO 0.00 0.89 0.07 0.00 -1.08 0.00 0.00 179.45 179.34 3bql h GLU 1506N 0.89 0.42 -0.48 0.00 5.08 -0.61 -2.41 114.58 117.47 3bql h GLU 1506Ca 0.18 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3bql h GLU 1506Cb 0.45 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3bql h GLU 1506CO 0.02 0.61 0.28 0.87 -1.00 0.00 0.00 179.01 179.79 3bql h LYS 1507N 0.38 0.66 -0.41 2.33 1.57 -1.04 -1.51 116.57 118.54 3bql h LYS 1507Ca 0.06 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3bql h LYS 1507Cb 0.58 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3bql h LYS 1507CO 0.04 0.49 0.09 -0.92 -0.57 0.00 0.00 179.45 178.58 3bql h TYR 1508N 0.64 0.70 -0.40 -1.35 5.03 -1.42 0.14 116.97 120.32 3bql h TYR 1508Ca 0.17 -0.09 0.06 0.00 2.58 0.00 0.00 58.73 61.45 3bql h TYR 1508Cb 0.01 -0.20 -0.05 0.00 1.55 0.00 0.00 36.73 38.04 3bql h TYR 1508CO -0.03 0.67 0.10 -0.22 -1.32 0.00 0.00 178.16 177.37 3bql h LYS 1509N 0.53 0.24 -0.39 1.82 3.64 -1.29 0.60 116.57 121.71 3bql h LYS 1509Ca 0.13 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 3bql h LYS 1509Cb 0.33 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3bql h LYS 1509CO 0.00 0.16 0.09 -0.22 -2.27 0.00 0.00 179.45 177.22 3bql h LYS 1510N 0.24 0.22 0.20 1.90 3.64 -1.14 -1.82 116.57 119.82 3bql h LYS 1510Ca 0.19 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3bql h LYS 1510Cb 0.20 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3bql h LYS 1510CO -0.22 0.15 -0.24 -0.92 -2.27 0.00 0.00 179.45 175.94 3bql h TYR 1511N 0.23 -0.64 -0.78 1.91 3.20 -0.34 -1.83 116.97 118.71 3bql h TYR 1511Ca 0.19 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.17 3bql h TYR 1511Cb 0.21 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 3bql h TYR 1511CO -0.18 -0.35 0.41 0.82 -1.64 0.00 0.00 178.16 177.22 3bql h ILE 1512N -0.49 0.84 -0.21 1.81 1.08 -0.85 -0.88 117.51 118.81 3bql h ILE 1512Ca 0.01 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 3bql h ILE 1512Cb 0.48 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3bql h ILE 1512CO -0.08 0.12 -0.03 0.77 -0.69 0.00 0.00 178.15 178.24 3bql h SER 1513N 0.67 0.29 0.41 1.72 4.64 -0.95 -1.33 113.55 119.00 3bql h SER 1513Ca 0.39 -0.05 -0.25 0.00 -0.47 0.00 0.00 61.79 61.42 3bql h SER 1513Cb 0.42 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3bql h SER 1513CO -0.28 0.37 -1.06 -0.33 -0.87 0.00 0.00 176.83 174.66 3bql h GLU 1514N 0.31 0.38 0.00 4.77 5.08 -0.54 -3.32 114.58 121.26 3bql h GLU 1514Ca 0.07 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 3bql h GLU 1514Cb 0.26 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3bql h GLU 1514CO 0.01 1.16 -0.37 0.87 -1.00 0.00 0.00 179.01 179.68 3bql h LYS 1515N 0.18 0.00 -0.48 2.33 1.79 -0.98 -3.38 116.57 116.04 3bql h LYS 1515Ca -0.11 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.46 3bql h LYS 1515Cb 1.73 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.29 3bql h LYS 1515CO 0.18 0.37 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.57 3bql h LYS 1516N 0.00 -0.01 -0.93 3.15 1.63 -1.34 -0.68 116.57 118.39 3bql h LYS 1516Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3bql h LYS 1516Cb 1.19 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.78 3bql h LYS 1516CO 0.05 -0.00 0.55 -0.56 -3.45 0.00 0.00 179.45 176.03 3bql h GLN 1517N -0.01 1.28 -0.49 1.90 3.07 -1.79 -0.63 115.11 118.44 3bql h GLN 1517Ca 0.23 -0.13 -0.04 0.00 0.09 0.00 0.00 58.65 58.80 3bql h GLN 1517Cb 0.36 -0.26 -0.02 0.00 0.08 0.00 0.00 27.48 27.63 3bql h GLN 1517CO -0.50 0.90 0.13 0.93 0.09 0.00 0.00 178.83 180.39 3bql h GLU 1518N 1.29 0.78 0.02 0.06 5.08 -1.49 -2.10 114.58 118.23 3bql h GLU 1518Ca 0.33 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3bql h GLU 1518Cb -0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3bql h GLU 1518CO -0.06 0.75 -0.01 2.35 -1.00 0.00 0.00 179.01 181.04 3bql h TRP 1519N 0.67 -0.03 -0.17 4.33 2.91 -0.73 -2.11 115.95 120.82 3bql h TRP 1519Ca 0.15 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.21 3bql h TRP 1519Cb 0.31 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 3bql h TRP 1519CO 0.02 0.16 -0.02 -0.44 -1.03 0.00 0.00 178.44 177.13 3bql h ASP 1520N -0.21 -0.10 -0.01 2.65 3.32 -1.08 0.23 116.42 121.22 3bql h ASP 1520Ca -0.00 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3bql h ASP 1520Cb 0.20 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 3bql h ASP 1520CO 0.01 -0.03 -0.26 0.11 -1.72 0.00 0.00 179.24 177.35 3bql h LYS 1521N 0.03 -0.38 -0.20 3.56 1.57 -1.36 -1.68 116.57 118.11 3bql h LYS 1521Ca 0.08 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3bql h LYS 1521Cb 0.11 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3bql h LYS 1521CO -0.15 -0.26 -0.34 1.96 -0.57 0.00 0.00 179.45 180.09 3bql h GLN 1522N -0.40 0.59 -0.46 3.15 4.20 -1.13 -2.33 115.11 118.73 3bql h GLN 1522Ca 0.06 -0.36 0.08 0.00 0.06 0.00 0.00 58.65 58.49 3bql h GLN 1522Cb 0.49 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.24 3bql h GLN 1522CO -0.23 0.97 0.05 -0.22 -0.67 0.00 0.00 178.83 178.73 3bql h LYS 1523N 0.26 0.16 -0.09 1.46 3.64 -0.55 -0.31 116.57 121.14 3bql h LYS 1523Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3bql h LYS 1523Cb 0.93 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3bql h LYS 1523CO 0.08 0.11 0.03 1.15 -2.27 0.00 0.00 179.45 178.54 3bql h THR 1524N 0.17 1.18 -0.03 1.00 2.02 -1.27 0.51 112.91 116.50 3bql h THR 1524Ca 0.23 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3bql h THR 1524Cb 0.32 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3bql h THR 1524CO -0.34 0.16 -0.16 0.50 0.37 0.00 0.00 175.52 176.05 3bql h LYS 1525N -0.05 -0.24 0.04 6.66 3.64 -1.30 -2.81 116.57 122.50 3bql h LYS 1525Ca 0.03 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3bql h LYS 1525Cb 0.23 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3bql h LYS 1525CO -0.00 -0.16 -0.02 -0.92 -2.27 0.00 0.00 179.45 176.08 3bql h TYR 1526N -0.25 -0.05 0.00 1.91 3.20 -0.84 -2.79 116.97 118.15 3bql h TYR 1526Ca 0.06 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3bql h TYR 1526Cb 0.33 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3bql h TYR 1526CO -0.23 0.04 -0.35 0.93 -1.64 0.00 0.00 178.16 176.92 3bql h GLU 1527N -0.12 0.00 -0.02 1.82 5.08 -0.88 0.13 114.58 120.60 3bql h GLU 1527Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3bql h GLU 1527Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3bql h GLU 1527CO 0.01 0.35 -0.31 0.27 -1.00 0.00 0.00 179.01 178.33 3bql n ASN 1528N -3.40 1.84 -0.08 1.42 0.23 -1.07 -3.81 115.26 110.39 3bql n ASN 1528Ca 0.00 -1.41 -0.17 0.00 -0.53 0.00 0.00 54.58 52.47 3bql n ASN 1528Cb 0.54 0.27 -0.12 0.00 -2.08 0.00 0.00 39.78 38.38 3bql n ASN 1528CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3bql h LYS 1529N 2.41 0.01 -3.76 -3.83 3.64 -1.19 -3.42 116.57 110.43 3bql h LYS 1529Ca 0.00 -0.01 -0.79 0.00 -1.27 0.00 0.00 60.65 58.58 3bql h LYS 1529Cb 0.70 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.26 3bql h LYS 1529CO 0.00 1.00 0.34 0.71 -2.27 0.00 0.00 179.45 179.23 3bql s TYR 1530N -2.28 4.00 0.24 1.91 2.02 0.44 -5.03 117.35 118.65 3bql s TYR 1530Ca -0.23 -2.34 -0.31 0.00 -0.37 0.00 0.00 57.07 53.83 3bql s TYR 1530Cb 0.00 -3.86 -0.11 0.00 -0.40 0.00 0.00 41.96 37.59 3bql s TYR 1530CO 0.66 -1.00 1.60 0.14 -1.57 0.00 0.00 175.55 175.38 3bql s VAL 1531N -0.45 2.24 0.00 0.71 -7.23 -1.25 -1.46 120.40 112.96 3bql s VAL 1531Ca 0.26 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 3bql s VAL 1531Cb -0.10 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.72 3bql s VAL 1531CO -0.08 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 3bql n GLY 1532N 2.91 0.69 3.82 2.32 0.00 -1.26 -5.02 105.19 108.64 3bql n GLY 1532Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3bql n GLY 1532CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bql s LYS 1533N -0.28 3.21 -0.15 1.61 1.02 -0.54 -5.11 119.74 119.51 3bql s LYS 1533Ca 0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 3bql s LYS 1533Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3bql s LYS 1533CO 0.00 0.67 0.07 0.45 -0.92 0.00 0.00 175.35 175.62 3bql s SER 1534N -1.67 5.70 0.18 2.83 0.15 -1.26 -4.67 113.70 114.97 3bql s SER 1534Ca 0.23 0.16 -0.11 0.00 0.70 0.00 0.00 55.95 56.93 3bql s SER 1534Cb -0.12 -1.90 0.10 0.00 -1.71 0.00 0.00 66.02 62.39 3bql s SER 1534CO 0.14 0.25 1.74 0.00 1.20 0.00 0.00 173.24 176.57 3bql h ALA 1535N 6.12 0.85 -0.56 5.45 0.00 -1.96 -1.87 119.26 127.30 3bql h ALA 1535Ca -0.43 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.36 3bql h ALA 1535Cb 1.18 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3bql h ALA 1535CO 0.66 0.48 0.28 1.03 0.00 0.00 0.00 179.25 181.70 3bql h SER 1536N 0.93 0.40 -0.60 0.00 0.87 -1.99 -2.55 113.55 110.61 3bql h SER 1536Ca 0.22 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3bql h SER 1536Cb 0.22 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3bql h SER 1536CO -0.02 0.27 0.33 0.44 -0.53 0.00 0.00 176.83 177.32 3bql h ASP 1537N 0.54 0.74 -0.47 6.23 3.32 -1.92 -1.71 116.42 123.14 3bql h ASP 1537Ca 0.25 -0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.31 3bql h ASP 1537Cb 0.18 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 3bql h ASP 1537CO -0.18 0.61 0.01 0.25 -1.72 0.00 0.00 179.24 178.21 3bql h LEU 1538N 0.81 -0.18 -0.19 1.55 5.85 -0.95 -1.19 115.31 121.01 3bql h LEU 1538Ca 0.21 0.11 -0.22 0.00 0.84 0.00 0.00 57.88 58.82 3bql h LEU 1538Cb 0.03 0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.26 3bql h LEU 1538CO -0.04 -0.06 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.18 3bql h LEU 1539N 0.12 0.91 -0.54 2.25 3.38 -1.29 -3.22 115.31 116.93 3bql h LEU 1539Ca 0.24 -0.59 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 3bql h LEU 1539Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3bql h LEU 1539CO -0.39 1.39 -0.73 0.11 0.09 0.00 0.00 178.44 178.91 3bql h LYS 1540N 0.53 0.03 0.00 1.13 1.57 -1.05 -1.74 116.57 117.04 3bql h LYS 1540Ca -0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3bql h LYS 1540Cb 1.38 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 3bql h LYS 1540CO 0.16 0.74 -0.15 1.05 -0.57 0.00 0.00 179.45 180.68 3bql h GLU 1541N 0.02 0.00 0.05 3.15 4.11 -1.29 -3.35 114.58 117.27 3bql h GLU 1541Ca -0.01 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.04 3bql h GLU 1541Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 3bql h GLU 1541CO 0.10 0.15 -2.22 0.09 0.07 0.00 0.00 179.01 177.20 3bql n ASN 1542N -3.28 2.02 -4.07 3.06 3.02 -1.07 -4.96 115.26 109.98 3bql n ASN 1542Ca 0.01 0.08 -0.32 0.00 -0.03 0.00 0.00 54.58 54.32 3bql n ASN 1542Cb 0.40 -0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 38.75 3bql n ASN 1542CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bql s TYR 1543N -2.52 2.66 0.53 3.10 1.51 -0.68 -5.00 117.35 116.95 3bql s TYR 1543Ca -0.30 -1.64 0.19 0.00 -1.01 0.00 0.00 57.07 54.30 3bql s TYR 1543Cb 0.09 -1.81 1.35 0.00 -0.11 0.00 0.00 41.96 41.47 3bql s TYR 1543CO 0.65 -0.78 2.15 -1.35 -1.11 0.00 0.00 175.55 175.11 3bql h PRO 1544N 7.95 0.00 0.00 -1.71 0.11 -1.87 -0.87 132.00 135.60 3bql h PRO 1544Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3bql h PRO 1544Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3bql h PRO 1544CO 0.57 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.26 3bql h GLU 1545N 0.00 0.00 -0.00 1.05 3.07 -1.94 -2.74 114.58 114.01 3bql h GLU 1545Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3bql h GLU 1545Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3bql h GLU 1545CO -0.00 0.03 -0.12 0.00 -1.40 0.00 0.00 179.01 177.53 3bql h ILE 1547N 0.01 1.11 -0.00 0.00 2.04 -1.60 -1.27 117.51 117.79 3bql h ILE 1547Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3bql h ILE 1547Cb 0.50 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3bql h ILE 1547CO 0.00 0.17 -0.06 -1.54 0.00 0.00 0.00 178.15 176.72 3bql n SER 1548N -4.63 0.30 -4.63 1.72 3.41 -1.26 -4.76 113.62 103.76 3bql n SER 1548Ca 0.08 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.74 3bql n SER 1548Cb 0.08 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3bql n SER 1548CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bql s ALA 1549N -2.43 3.50 -0.66 7.33 0.00 -0.48 -4.99 121.76 124.03 3bql s ALA 1549Ca 0.31 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 3bql s ALA 1549Cb 0.20 -3.53 0.13 0.00 0.00 0.00 0.00 23.12 19.92 3bql s ALA 1549CO 0.45 -1.40 0.73 1.21 0.00 0.00 0.00 175.76 176.75 3bql s ASN 1550N 1.66 6.34 0.25 0.00 3.84 -1.26 -4.93 114.94 120.84 3bql s ASN 1550Ca 0.40 -1.80 -0.03 0.00 0.21 0.00 0.00 52.86 51.64 3bql s ASN 1550Cb -0.13 -2.28 0.30 0.00 -0.55 0.00 0.00 41.25 38.60 3bql s ASN 1550CO 0.15 -0.97 1.77 -0.26 -2.79 0.00 0.00 177.10 175.00 3bql h PHE 1551N 8.84 0.92 -0.71 0.43 0.04 -1.94 -0.04 116.94 124.48 3bql h PHE 1551Ca -0.17 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.45 3bql h PHE 1551Cb 1.07 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.93 3bql h PHE 1551CO 0.89 0.81 0.29 -0.44 -0.60 0.00 0.00 178.31 179.26 3bql h ASP 1552N 0.82 0.97 -0.02 2.17 3.32 -1.94 -1.44 116.42 120.31 3bql h ASP 1552Ca 0.17 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bql h ASP 1552Cb 0.40 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3bql h ASP 1552CO 0.01 0.87 -0.00 0.15 -1.72 0.00 0.00 179.24 178.55 3bql h PHE 1553N 1.01 0.03 -0.52 4.55 3.57 -1.84 -1.70 116.94 122.05 3bql h PHE 1553Ca 0.24 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.80 3bql h PHE 1553Cb 0.20 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 3bql h PHE 1553CO 0.01 0.37 0.20 0.82 -2.23 0.00 0.00 178.31 177.48 3bql h ILE 1554N -0.31 0.84 -0.45 1.41 2.04 -0.92 -2.82 117.51 117.30 3bql h ILE 1554Ca 0.00 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 3bql h ILE 1554Cb 0.36 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3bql h ILE 1554CO 0.00 0.07 0.06 0.49 0.00 0.00 0.00 178.15 178.77 3bql n PHE 1555N -4.99 1.56 -1.69 1.37 3.01 -0.55 -4.93 117.46 111.24 3bql n PHE 1555Ca 0.06 -1.02 -0.42 0.00 1.01 0.00 0.00 57.45 57.08 3bql n PHE 1555Cb 0.20 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.17 3bql n PHE 1555CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3bql n ASN 1556N -0.29 4.11 -1.55 4.37 2.85 -0.64 -4.89 115.26 119.22 3bql n ASN 1556Ca 0.29 0.98 0.08 0.00 -0.11 0.00 0.00 54.58 55.82 3bql n ASN 1556Cb 1.09 -1.55 0.35 0.00 1.24 0.00 0.00 39.78 40.91 3bql n ASN 1556CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3bql n ASP 1557N 5.77 4.87 -4.82 1.20 2.03 -1.26 -4.89 116.55 119.45 3bql n ASP 1557Ca 0.18 -2.63 -0.32 0.00 0.52 0.00 0.00 54.79 52.54 3bql n ASP 1557Cb 0.38 -0.59 0.03 0.00 -0.72 0.00 0.00 41.12 40.22 3bql n ASP 1557CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3bql s ASN 1558N -1.00 5.64 0.09 1.67 0.01 -1.26 -5.01 114.94 115.09 3bql s ASN 1558Ca 0.50 1.65 -0.19 0.00 -0.71 0.00 0.00 52.86 54.11 3bql s ASN 1558Cb 0.35 -2.50 -0.08 0.00 0.41 0.00 0.00 41.25 39.43 3bql s ASN 1558CO 0.20 -1.27 1.61 0.40 -1.51 0.00 0.00 177.10 176.53 3bql h ILE 1559N -0.27 1.19 -0.02 0.60 2.04 -2.04 -3.25 117.51 115.76 3bql h ILE 1559Ca -0.45 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 64.68 3bql h ILE 1559Cb 1.21 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3bql h ILE 1559CO 0.58 0.19 -0.60 1.05 0.00 0.00 0.00 178.15 179.37 3bql h GLU 1560N 0.21 0.08 -0.67 2.37 4.11 -2.00 -3.30 114.58 115.37 3bql h GLU 1560Ca 0.07 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.50 3bql h GLU 1560Cb 0.23 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3bql h GLU 1560CO -0.00 0.66 0.40 1.88 0.07 0.00 0.00 179.01 182.01 3bql h TYR 1561N 0.06 0.73 -0.54 2.06 0.05 -1.94 0.12 116.97 117.51 3bql h TYR 1561Ca -0.01 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.85 3bql h TYR 1561Cb 1.08 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.54 3bql h TYR 1561CO 0.01 0.39 0.26 -0.22 -1.05 0.00 0.00 178.16 177.55 3bql h LYS 1562N 0.75 0.49 0.12 4.88 3.64 -1.69 0.25 116.57 125.01 3bql h LYS 1562Ca 0.28 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.39 3bql h LYS 1562Cb 0.10 -0.11 0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3bql h LYS 1562CO -0.14 0.33 -1.05 1.79 -2.27 0.00 0.00 179.45 178.11 3bql h THR 1563N 0.51 1.37 0.00 1.00 1.35 -1.63 -3.35 112.91 112.16 3bql h THR 1563Ca 0.24 -2.43 -0.16 0.00 -0.55 0.00 0.00 66.41 63.51 3bql h THR 1563Cb 0.17 2.84 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 3bql h THR 1563CO -0.18 0.72 -0.83 1.88 -0.25 0.00 0.00 175.52 176.86 3bql h TYR 1564N 0.03 0.00 -2.67 4.73 -1.99 -0.69 -3.39 116.97 112.99 3bql h TYR 1564Ca -0.16 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 59.96 3bql h TYR 1564Cb 1.77 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 40.09 3bql h TYR 1564CO 0.14 0.74 -0.73 0.66 -0.00 0.00 0.00 178.16 178.97 3bql n TYR 1565N -3.25 1.81 0.28 4.88 4.01 0.87 -4.96 117.16 120.80 3bql n TYR 1565Ca -0.01 -3.94 0.12 0.00 -0.16 0.00 0.00 57.90 53.91 3bql n TYR 1565Cb 0.85 -0.34 0.78 0.00 -0.31 0.00 0.00 39.34 40.32 3bql n TYR 1565CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3bql h PRO 1566N 5.19 0.00 -0.31 -0.72 0.11 -1.75 -2.53 132.00 131.98 3bql h PRO 1566Ca 0.19 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.07 3bql h PRO 1566Cb 0.80 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.71 3bql h PRO 1566CO 0.61 0.03 -0.66 0.66 -0.21 0.00 0.00 178.00 178.44 3bql n TYR 1567N -4.07 1.11 -1.23 0.65 4.01 -1.26 -4.88 117.16 111.49 3bql n TYR 1567Ca -0.03 -1.77 0.00 0.00 -0.16 0.00 0.00 57.90 55.95 3bql n TYR 1567Cb 0.12 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3bql n TYR 1567CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bql n GLY 1568N -0.89 3.03 0.01 2.72 0.00 -0.96 -2.08 105.19 107.02 3bql n GLY 1568Ca 0.28 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.19 3bql n GLY 1568CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bql n ASP 1569N 2.55 0.04 -1.14 1.61 5.75 -1.26 -1.85 116.55 122.24 3bql n ASP 1569Ca 0.00 0.51 0.08 0.00 -0.01 0.00 0.00 54.79 55.37 3bql n ASP 1569Cb 0.00 -0.52 0.28 0.00 -1.03 0.00 0.00 41.12 39.85 3bql n ASP 1569CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3bql n TYR 1570N -1.55 1.09 0.00 2.11 4.01 -0.88 -4.66 117.16 117.28 3bql n TYR 1570Ca 0.02 -0.67 0.06 0.00 -0.16 0.00 0.00 57.90 57.15 3bql n TYR 1570Cb 0.10 -0.22 0.46 0.00 -0.31 0.00 0.00 39.34 39.37 3bql n TYR 1570CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3bql h SER 1571N 2.84 0.41 0.63 7.72 0.02 -1.36 -1.26 113.55 122.55 3bql h SER 1571Ca 0.00 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 3bql h SER 1571Cb 1.29 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 3bql h SER 1571CO 0.18 0.29 -0.69 0.28 -1.14 0.00 0.00 176.83 175.75 3bql h SER 1572N 0.48 0.06 1.10 3.07 0.02 -1.84 -2.75 113.55 113.68 3bql h SER 1572Ca 0.17 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 3bql h SER 1572Cb 0.08 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3bql h SER 1572CO -0.04 0.73 -0.54 0.40 -1.14 0.00 0.00 176.83 176.24 3bql h ILE 1573N 0.03 1.05 -1.70 3.27 2.04 -1.81 -3.29 117.51 117.11 3bql h ILE 1573Ca -0.01 -2.15 -0.69 0.00 1.00 0.00 0.00 64.86 63.01 3bql h ILE 1573Cb 1.22 2.29 -0.23 0.00 -0.74 0.00 0.00 36.82 39.36 3bql h ILE 1573CO 0.09 0.53 0.96 0.00 0.00 0.00 0.00 178.15 179.74 3bql n SER 1575N 0.08 -0.79 -4.20 0.00 3.41 -1.19 -4.86 113.62 106.08 3bql n SER 1575Ca 0.52 -1.99 -0.31 0.00 -0.26 0.00 0.00 58.87 56.83 3bql n SER 1575Cb 0.33 1.45 -0.17 0.00 -0.26 0.00 0.00 64.21 65.55 3bql n SER 1575CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88