#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig3 s THR 1247N 0.00 3.04 0.26 6.66 -4.23 -1.26 -4.96 115.64 115.15 3ig3 s THR 1247Ca 0.00 -0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 3ig3 s THR 1247Cb 0.00 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.76 3ig3 s THR 1247CO 0.00 -0.15 1.74 1.56 -0.54 0.00 0.00 174.62 177.23 3ig3 h GLN 1248N -0.03 0.74 0.07 3.99 4.20 -2.05 -2.11 115.11 119.91 3ig3 h GLN 1248Ca -0.44 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.04 3ig3 h GLN 1248Cb 1.28 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3ig3 h GLN 1248CO 0.56 0.80 -0.03 0.22 -0.67 0.00 0.00 178.83 179.71 3ig3 h ASP 1249N 0.68 -0.08 -0.29 1.46 -0.00 -1.98 -0.68 116.42 115.52 3ig3 h ASP 1249Ca 0.12 -0.05 0.06 0.00 -0.00 0.00 0.00 57.03 57.17 3ig3 h ASP 1249Cb 0.52 0.02 -0.05 0.00 -0.00 0.00 0.00 39.33 39.82 3ig3 h ASP 1249CO 0.03 -0.01 -0.05 0.00 -0.00 0.00 0.00 179.24 179.21 3ig3 h ALA 1250N 0.78 0.21 -0.84 -0.78 0.00 -1.91 0.57 119.26 117.30 3ig3 h ALA 1250Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ig3 h ALA 1250Cb 0.12 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ig3 h ALA 1250CO 0.02 -0.45 0.46 -0.44 0.00 0.00 0.00 179.25 178.84 3ig3 h ASP 1251N 0.02 1.04 -0.26 0.00 3.32 -1.33 -0.96 116.42 118.26 3ig3 h ASP 1251Ca 0.14 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ig3 h ASP 1251Cb 0.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3ig3 h ASP 1251CO -0.28 0.83 0.11 -0.09 -1.72 0.00 0.00 179.24 178.09 3ig3 h ARG 1252N 1.17 0.38 0.00 3.56 2.43 -0.24 -1.95 114.38 119.74 3ig3 h ARG 1252Ca 0.30 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3ig3 h ARG 1252Cb 0.02 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3ig3 h ARG 1252CO -0.05 0.40 -0.54 1.79 -1.51 0.00 0.00 179.97 180.07 3ig3 h THR 1253N 0.27 1.36 0.15 0.20 1.35 -0.69 -2.61 112.91 112.94 3ig3 h THR 1253Ca 0.09 -1.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.08 3ig3 h THR 1253Cb 0.16 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3ig3 h THR 1253CO -0.01 0.53 -0.07 0.25 -0.25 0.00 0.00 175.52 175.96 3ig3 h LEU 1254N 0.00 -0.18 -1.13 3.87 6.46 -0.99 -1.81 115.31 121.53 3ig3 h LEU 1254Ca -0.01 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3ig3 h LEU 1254Cb 0.96 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.89 3ig3 h LEU 1254CO 0.07 0.05 0.59 0.50 -0.62 0.00 0.00 178.44 179.03 3ig3 h LYS 1255N -0.40 1.16 -0.27 1.25 3.11 -1.28 -1.03 116.57 119.11 3ig3 h LYS 1255Ca -0.02 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.71 3ig3 h LYS 1255Cb 0.31 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 3ig3 h LYS 1255CO 0.03 0.76 0.03 0.00 -2.81 0.00 0.00 179.45 177.47 3ig3 h ARG 1256N 1.19 0.46 -0.58 1.90 3.08 -1.43 -2.13 114.38 116.87 3ig3 h ARG 1256Ca 0.34 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.28 3ig3 h ARG 1256Cb -0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3ig3 h ARG 1256CO -0.08 0.58 0.38 1.25 -1.07 0.00 0.00 179.97 181.04 3ig3 h LEU 1257N 0.26 0.60 -0.33 3.04 6.46 -0.91 0.76 115.31 125.19 3ig3 h LEU 1257Ca 0.08 -0.01 -0.16 0.00 -0.12 0.00 0.00 57.88 57.67 3ig3 h LEU 1257Cb 0.35 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 3ig3 h LEU 1257CO 0.01 0.42 -0.41 1.56 -0.62 0.00 0.00 178.44 179.40 3ig3 h GLN 1258N 0.70 0.86 0.01 1.25 4.20 -0.91 -1.59 115.11 119.63 3ig3 h GLN 1258Ca 0.23 -0.48 -0.20 0.00 0.06 0.00 0.00 58.65 58.26 3ig3 h GLN 1258Cb 0.04 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3ig3 h GLN 1258CO -0.06 1.12 -0.92 1.37 -0.67 0.00 0.00 178.83 179.68 3ig3 h LEU 1259N 0.65 0.07 -1.15 1.46 8.10 -1.17 -1.13 115.31 122.14 3ig3 h LEU 1259Ca 0.04 -0.06 0.01 0.00 0.11 0.00 0.00 57.88 57.98 3ig3 h LEU 1259Cb 1.00 -0.02 -0.04 0.00 -0.44 0.00 0.00 40.66 41.16 3ig3 h LEU 1259CO 0.10 0.95 0.58 -0.61 -4.11 0.00 0.00 178.44 175.34 3ig3 h GLN 1260N 0.02 1.15 -0.15 0.17 5.75 -0.79 0.16 115.11 121.42 3ig3 h GLN 1260Ca -0.02 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 3ig3 h GLN 1260Cb 1.60 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 29.89 3ig3 h GLN 1260CO 0.13 0.76 -0.14 1.98 -2.65 0.00 0.00 178.83 178.90 3ig3 h MET 1261N 1.18 0.36 -0.84 1.69 4.05 -1.15 -2.80 114.93 117.41 3ig3 h MET 1261Ca 0.32 -0.19 0.13 0.00 -0.28 0.00 0.00 59.70 59.68 3ig3 h MET 1261Cb -0.13 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.61 3ig3 h MET 1261CO -0.07 0.74 0.55 -0.44 0.23 0.00 0.00 176.91 177.92 3ig3 h ASP 1262N -0.01 0.63 0.20 1.39 3.32 -0.67 -1.17 116.42 120.10 3ig3 h ASP 1262Ca 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ig3 h ASP 1262Cb 0.67 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3ig3 h ASP 1262CO 0.04 0.34 -0.10 -1.13 -1.72 0.00 0.00 179.24 176.67 3ig3 h ASN 1263N 0.67 -0.23 0.08 6.45 -1.24 -0.54 -2.29 115.58 118.49 3ig3 h ASN 1263Ca 0.41 -0.18 -0.04 0.00 0.71 0.00 0.00 56.30 57.19 3ig3 h ASN 1263Cb 0.64 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 3ig3 h ASN 1263CO -0.17 0.06 -0.15 -0.07 -1.29 0.00 0.00 177.43 175.81 3ig3 h LEU 1264N -0.53 0.14 -1.08 0.34 3.38 -1.21 -1.33 115.31 115.02 3ig3 h LEU 1264Ca -0.03 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3ig3 h LEU 1264Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3ig3 h LEU 1264CO 0.05 0.30 -0.06 -0.33 0.09 0.00 0.00 178.44 178.49 3ig3 h GLU 1265N 0.14 0.58 -0.34 1.13 5.08 -1.15 -2.94 114.58 117.09 3ig3 h GLU 1265Ca 0.03 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 3ig3 h GLU 1265Cb 0.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3ig3 h GLU 1265CO 0.02 0.65 -0.34 0.77 -1.00 0.00 0.00 179.01 179.11 3ig3 h SER 1266N 0.55 0.79 -0.45 1.42 0.02 -0.66 -1.24 113.55 113.98 3ig3 h SER 1266Ca 0.11 -0.33 0.12 0.00 -0.84 0.00 0.00 61.79 60.85 3ig3 h SER 1266Cb 0.44 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3ig3 h SER 1266CO 0.02 1.06 0.32 0.03 -1.14 0.00 0.00 176.83 177.12 3ig3 h ARG 1267N 0.63 0.03 -0.00 3.45 3.08 -1.26 -3.14 114.38 117.17 3ig3 h ARG 1267Ca 0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3ig3 h ARG 1267Cb 0.88 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3ig3 h ARG 1267CO 0.08 0.02 -0.15 1.33 -1.07 0.00 0.00 179.97 180.18 3ig3 n VAL 1268N -4.41 0.00 -0.06 2.04 0.24 -1.11 -4.83 118.33 110.20 3ig3 n VAL 1268Ca 0.08 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.84 3ig3 n VAL 1268Cb 0.50 1.02 -0.05 0.00 -1.47 0.00 0.00 33.84 33.84 3ig3 n VAL 1268CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ig3 h ALA 1269N 0.63 -0.51 -0.38 2.33 0.00 -1.18 0.11 119.26 120.27 3ig3 h ALA 1269Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3ig3 h ALA 1269Cb 0.11 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ig3 h ALA 1269CO 0.00 -0.89 -0.35 -0.07 0.00 0.00 0.00 179.25 177.94 3ig3 h LEU 1270N -0.41 0.93 -0.97 0.00 3.38 -1.88 -2.52 115.31 113.83 3ig3 h LEU 1270Ca 0.10 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.76 3ig3 h LEU 1270Cb 0.60 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 3ig3 h LEU 1270CO -0.48 1.18 0.61 -0.08 0.09 0.00 0.00 178.44 179.77 3ig3 h GLU 1271N 0.73 1.03 -0.78 1.13 4.81 -1.78 -2.18 114.58 117.54 3ig3 h GLU 1271Ca 0.07 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3ig3 h GLU 1271Cb 0.92 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 3ig3 h GLU 1271CO 0.08 0.68 0.32 0.00 -0.73 0.00 0.00 179.01 179.37 3ig3 h LYS 1273N 1.13 1.01 0.01 0.00 1.57 -1.02 0.24 116.57 119.51 3ig3 h LYS 1273Ca 0.26 -0.10 -0.21 0.00 -1.87 0.00 0.00 60.65 58.73 3ig3 h LYS 1273Cb 0.20 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3ig3 h LYS 1273CO -0.02 0.72 -0.92 0.93 -0.57 0.00 0.00 179.45 179.59 3ig3 h GLU 1274N 1.01 0.28 -0.75 3.15 5.08 -1.26 -2.55 114.58 119.55 3ig3 h GLU 1274Ca 0.26 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3ig3 h GLU 1274Cb -0.02 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ig3 h GLU 1274CO -0.05 1.03 0.35 0.00 -1.00 0.00 0.00 179.01 179.34 3ig3 h ALA 1275N 0.86 0.97 -0.10 3.43 0.00 -0.76 -1.35 119.26 122.29 3ig3 h ALA 1275Ca -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ig3 h ALA 1275Cb 1.56 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ig3 h ALA 1275CO 0.15 0.54 0.04 0.35 0.00 0.00 0.00 179.25 180.33 3ig3 h PHE 1276N 1.06 0.15 -0.94 0.00 3.57 -0.90 -0.19 116.94 119.69 3ig3 h PHE 1276Ca 0.26 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.84 3ig3 h PHE 1276Cb 0.13 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 3ig3 h PHE 1276CO 0.01 0.24 0.60 0.00 -2.23 0.00 0.00 178.31 176.93 3ig3 h ALA 1277N 0.89 1.56 -0.47 2.41 0.00 -1.29 0.40 119.26 122.77 3ig3 h ALA 1277Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ig3 h ALA 1277Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ig3 h ALA 1277CO -0.00 0.25 0.13 1.49 0.00 0.00 0.00 179.25 181.11 3ig3 h GLU 1278N 0.97 0.74 -0.60 0.00 4.57 -0.88 -1.98 114.58 117.40 3ig3 h GLU 1278Ca 0.43 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 58.35 3ig3 h GLU 1278Cb 0.37 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3ig3 h GLU 1278CO -0.19 0.71 -0.00 1.25 -1.18 0.00 0.00 179.01 179.60 3ig3 h LEU 1279N 0.62 1.03 -0.82 1.64 6.46 0.57 -1.10 115.31 123.71 3ig3 h LEU 1279Ca 0.15 -0.29 -0.10 0.00 -0.12 0.00 0.00 57.88 57.52 3ig3 h LEU 1279Cb 0.30 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 3ig3 h LEU 1279CO -0.00 1.08 -0.15 -0.61 -0.62 0.00 0.00 178.44 178.13 3ig3 h GLN 1280N 0.96 0.72 0.02 1.25 4.15 -0.05 0.31 115.11 122.46 3ig3 h GLN 1280Ca 0.17 -0.25 -0.21 0.00 0.77 0.00 0.00 58.65 59.13 3ig3 h GLN 1280Cb 0.56 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3ig3 h GLN 1280CO 0.03 0.83 -0.93 1.79 -1.93 0.00 0.00 178.83 178.62 3ig3 h THR 1281N 0.64 1.50 -0.66 2.39 1.35 -1.26 0.34 112.91 117.20 3ig3 h THR 1281Ca 0.10 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3ig3 h THR 1281Cb 0.62 2.54 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 3ig3 h THR 1281CO 0.04 0.79 0.43 0.44 -0.25 0.00 0.00 175.52 176.97 3ig3 h ASP 1282N 0.11 0.77 0.08 5.36 5.19 -0.78 -2.60 116.42 124.54 3ig3 h ASP 1282Ca -0.06 -0.03 -0.27 0.00 -0.62 0.00 0.00 57.03 56.06 3ig3 h ASP 1282Cb 1.58 -0.19 0.03 0.00 0.18 0.00 0.00 39.33 40.92 3ig3 h ASP 1282CO 0.14 0.57 -1.09 0.40 -3.12 0.00 0.00 179.24 176.15 3ig3 h ILE 1283N 0.90 1.31 0.00 0.35 5.03 -0.06 -2.89 117.51 122.15 3ig3 h ILE 1283Ca 0.24 -2.36 0.00 0.00 -0.12 0.00 0.00 64.86 62.62 3ig3 h ILE 1283Cb -0.08 2.63 0.00 0.00 -3.03 0.00 0.00 36.82 36.34 3ig3 h ILE 1283CO -0.05 0.71 0.00 0.59 -0.68 0.00 0.00 178.15 178.72 3ig3 n ASN 1284N -3.88 0.00 -0.08 1.72 5.03 0.08 -2.69 115.26 115.44 3ig3 n ASN 1284Ca -0.13 0.30 -0.10 0.00 0.87 0.00 0.00 54.58 55.53 3ig3 n ASN 1284Cb 0.91 -0.41 -0.05 0.00 -1.02 0.00 0.00 39.78 39.21 3ig3 n ASN 1284CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 3ig3 h GLU 1285N 0.00 0.00 0.00 3.52 4.81 -1.41 -2.62 114.58 118.87 3ig3 h GLU 1285Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ig3 h GLU 1285Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3ig3 h GLU 1285CO 0.00 0.32 0.00 1.28 -0.73 0.00 0.00 179.01 179.88 3ig3 n LEU 1286N -4.57 0.00 0.00 1.64 4.77 -1.10 -3.93 117.00 113.82 3ig3 n LEU 1286Ca -0.15 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3ig3 n LEU 1286Cb 0.39 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3ig3 n LEU 1286CO 0.13 -0.28 0.00 0.35 -1.33 0.00 0.00 177.39 176.26 3ig3 n THR 1287N -1.40 0.00 1.43 -5.08 -2.24 -1.09 -4.72 114.28 101.18 3ig3 n THR 1287Ca 0.03 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 3ig3 n THR 1287Cb 0.09 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.60 3ig3 n THR 1287CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ig3 n ASN 1288N -0.38 1.08 0.00 3.42 4.13 -0.99 -2.21 115.26 120.31 3ig3 n ASN 1288Ca 0.00 -1.78 0.00 0.00 1.68 0.00 0.00 54.58 54.48 3ig3 n ASN 1288Cb 0.00 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 3ig3 n ASN 1288CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3ig3 n HIS 1289N -0.00 0.00 0.00 3.10 -0.00 -1.26 -5.00 115.22 112.05 3ig3 n HIS 1289Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 3ig3 n HIS 1289Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 3ig3 n HIS 1289CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3ig3 n VAL 1293N 0.00 0.00 -3.08 1.59 0.31 -0.94 -5.01 118.33 111.20 3ig3 n VAL 1293Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3ig3 n VAL 1293Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3ig3 n VAL 1293CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3ig3 s GLN 1294N -0.62 4.36 -0.18 5.55 0.74 -1.26 -4.80 119.66 123.45 3ig3 s GLN 1294Ca 0.00 0.78 -0.41 0.00 0.05 0.00 0.00 55.36 55.78 3ig3 s GLN 1294Cb 0.00 -3.48 -0.18 0.00 1.10 0.00 0.00 33.01 30.45 3ig3 s GLN 1294CO 0.00 -0.02 1.48 -0.89 -0.55 0.00 0.00 175.29 175.30 3ig3 n ILE 1295N 4.04 0.10 -1.58 -2.34 5.41 -1.26 -4.79 119.36 118.94 3ig3 n ILE 1295Ca -0.02 -0.02 -0.40 0.00 1.00 0.00 0.00 62.75 63.32 3ig3 n ILE 1295Cb 0.51 -0.72 -0.02 0.00 -0.71 0.00 0.00 39.64 38.70 3ig3 n ILE 1295CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3ig3 n PRO 1296N 3.58 3.90 -1.72 0.38 -0.05 -1.26 -4.96 135.00 134.87 3ig3 n PRO 1296Ca 0.24 -2.65 -0.42 0.00 -0.05 0.00 0.00 63.50 60.62 3ig3 n PRO 1296Cb 0.09 -2.79 -0.03 0.00 -0.05 0.00 0.00 33.50 30.73 3ig3 n PRO 1296CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3ig3 n PHE 1297N 3.23 2.74 -1.56 0.54 3.72 -1.26 -0.53 117.46 124.35 3ig3 n PHE 1297Ca 0.71 0.11 -0.33 0.00 -0.05 0.00 0.00 57.45 57.89 3ig3 n PHE 1297Cb 0.25 -2.64 0.07 0.00 -0.94 0.00 0.00 39.48 36.22 3ig3 n PHE 1297CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ig3 s LEU 1298N 0.70 3.33 0.81 4.37 1.43 -0.49 -4.74 118.68 124.09 3ig3 s LEU 1298Ca 0.72 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.87 3ig3 s LEU 1298Cb -0.52 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.22 3ig3 s LEU 1298CO 0.37 -1.99 1.09 1.51 0.23 0.00 0.00 176.35 177.56 3ig3 s ASP 1299N -2.36 4.24 0.17 2.29 3.84 -1.26 -4.79 116.67 118.81 3ig3 s ASP 1299Ca 0.70 1.57 -0.16 0.00 -0.00 0.00 0.00 52.55 54.66 3ig3 s ASP 1299Cb -0.24 -2.30 0.12 0.00 -1.38 0.00 0.00 42.92 39.12 3ig3 s ASP 1299CO 0.44 -2.16 1.67 0.22 -0.00 0.00 0.00 175.17 175.33 3ig3 h TYR 1300N -1.22 -0.19 -0.20 2.11 3.20 -1.99 -1.73 116.97 116.95 3ig3 h TYR 1300Ca -0.46 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.37 3ig3 h TYR 1300Cb 1.25 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 3ig3 h TYR 1300CO 0.51 -0.17 -0.20 0.07 -1.64 0.00 0.00 178.16 176.72 3ig3 h ARG 1301N 0.02 0.34 -0.11 1.82 0.11 -1.92 0.14 114.38 114.78 3ig3 h ARG 1301Ca 0.21 -0.11 -0.10 0.00 0.10 0.00 0.00 59.98 60.09 3ig3 h ARG 1301Cb 0.32 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.37 3ig3 h ARG 1301CO -0.43 0.54 -0.31 1.15 0.10 0.00 0.00 179.97 181.01 3ig3 h THR 1302N 0.31 1.39 -0.40 0.08 2.02 -1.84 -2.58 112.91 111.90 3ig3 h THR 1302Ca 0.05 -1.64 0.05 0.00 0.77 0.00 0.00 66.41 65.65 3ig3 h THR 1302Cb 0.54 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 3ig3 h THR 1302CO 0.04 0.48 0.13 0.22 0.37 0.00 0.00 175.52 176.76 3ig3 h TYR 1303N -0.04 0.24 -0.41 3.16 3.20 -1.03 -0.72 116.97 121.36 3ig3 h TYR 1303Ca -0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3ig3 h TYR 1303Cb 0.93 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 3ig3 h TYR 1303CO 0.11 0.09 0.18 0.00 -1.64 0.00 0.00 178.16 176.90 3ig3 h ALA 1304N 1.26 0.51 -0.15 1.82 0.00 -0.71 -1.83 119.26 120.15 3ig3 h ALA 1304Ca 0.18 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 3ig3 h ALA 1304Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ig3 h ALA 1304CO -0.19 -0.19 -0.55 0.28 0.00 0.00 0.00 179.25 178.60 3ig3 h VAL 1305N 0.37 1.34 -0.94 0.00 2.07 -1.21 0.98 116.25 118.86 3ig3 h VAL 1305Ca 0.18 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 3ig3 h VAL 1305Cb 0.12 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3ig3 h VAL 1305CO -0.15 0.56 0.58 0.03 0.02 0.00 0.00 177.57 178.61 3ig3 h ARG 1306N 0.36 1.27 0.03 1.57 3.08 -0.77 0.11 114.38 120.03 3ig3 h ARG 1306Ca 0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3ig3 h ARG 1306Cb 1.08 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3ig3 h ARG 1306CO 0.10 0.88 -0.01 0.28 -1.07 0.00 0.00 179.97 180.14 3ig3 h VAL 1307N 1.30 1.36 -0.37 2.04 2.07 -1.11 -3.21 116.25 118.33 3ig3 h VAL 1307Ca 0.34 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 3ig3 h VAL 1307Cb -0.08 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3ig3 h VAL 1307CO -0.07 0.42 -0.07 -0.07 0.02 0.00 0.00 177.57 177.80 3ig3 h LEU 1308N -0.88 0.59 -6.32 2.57 3.38 -0.79 -3.34 115.31 110.52 3ig3 h LEU 1308Ca -0.00 -0.15 -0.59 0.00 0.09 0.00 0.00 57.88 57.22 3ig3 h LEU 1308Cb 0.71 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 40.90 3ig3 h LEU 1308CO 0.01 0.71 -0.75 0.49 0.09 0.00 0.00 178.44 178.99 3ig3 n PHE 1309N -4.21 2.16 -1.68 1.13 3.72 0.39 -4.83 117.46 114.14 3ig3 n PHE 1309Ca 0.01 -3.96 -0.45 0.00 -0.05 0.00 0.00 57.45 53.00 3ig3 n PHE 1309Cb 0.31 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.37 3ig3 n PHE 1309CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3ig3 n PRO 1310N 1.37 2.42 -0.98 -1.08 -0.02 -1.21 -2.42 135.00 133.08 3ig3 n PRO 1310Ca 0.26 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3ig3 n PRO 1310Cb 0.44 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3ig3 n PRO 1310CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ig3 n GLY 1311N 4.18 0.94 3.55 -1.23 0.00 -1.26 -5.00 105.19 106.36 3ig3 n GLY 1311Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3ig3 n GLY 1311CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig3 s ILE 1312N -3.75 4.85 0.20 -0.61 -1.09 -1.02 -5.05 121.20 114.73 3ig3 s ILE 1312Ca 0.00 0.36 -0.25 0.00 -2.23 0.00 0.00 60.65 58.53 3ig3 s ILE 1312Cb 0.00 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.65 3ig3 s ILE 1312CO 0.00 -0.46 0.80 -1.61 -1.23 0.00 0.00 174.94 172.44 3ig3 s GLU 1313N 2.78 4.53 -1.22 2.79 2.02 -1.26 -4.23 118.70 124.12 3ig3 s GLU 1313Ca 0.24 1.15 -0.09 0.00 0.02 0.00 0.00 54.97 56.29 3ig3 s GLU 1313Cb -0.14 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 3ig3 s GLU 1313CO 0.17 0.51 0.73 0.00 0.02 0.00 0.00 175.26 176.69 3ig3 n ALA 1314N 1.32 -2.28 -1.80 5.21 0.00 -1.26 -4.90 120.51 116.79 3ig3 n ALA 1314Ca -0.04 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 3ig3 n ALA 1314Cb 0.49 -3.24 -0.02 0.00 0.00 0.00 0.00 19.45 16.69 3ig3 n ALA 1314CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ig3 s HIS 1315N -3.59 2.83 0.53 0.00 2.46 -1.26 -4.85 115.29 111.40 3ig3 s HIS 1315Ca 0.24 0.98 0.37 0.00 0.47 0.00 0.00 55.06 57.13 3ig3 s HIS 1315Cb -0.07 -3.95 1.55 0.00 -0.13 0.00 0.00 32.58 29.97 3ig3 s HIS 1315CO 0.83 -3.05 1.76 -1.35 -2.47 0.00 0.00 174.74 170.46 3ig3 h PRO 1316N 4.43 0.03 0.00 2.88 0.11 -1.91 0.78 132.00 138.32 3ig3 h PRO 1316Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ig3 h PRO 1316Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ig3 h PRO 1316CO 0.75 0.02 0.00 0.28 -0.21 0.00 0.00 178.00 178.84 3ig3 h VAL 1317N 0.03 0.00 -0.33 3.15 2.07 -1.89 -1.41 116.25 117.87 3ig3 h VAL 1317Ca 0.63 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 68.05 3ig3 h VAL 1317Cb 2.45 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3ig3 h VAL 1317CO -0.04 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.73 3ig3 n LEU 1318N -2.66 3.11 -4.16 2.57 4.77 0.27 -0.26 117.00 120.63 3ig3 n LEU 1318Ca -0.01 -1.53 -0.10 0.00 -0.03 0.00 0.00 56.01 54.33 3ig3 n LEU 1318Cb 0.11 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 3ig3 n LEU 1318CO 0.17 0.68 -0.30 -1.59 -1.33 0.00 0.00 177.39 175.02 3ig3 s LYS 1319N -1.27 0.94 0.55 3.23 -2.85 -0.53 -4.92 119.74 114.89 3ig3 s LYS 1319Ca 0.31 -1.45 -0.19 0.00 -1.00 0.00 0.00 55.97 53.64 3ig3 s LYS 1319Cb 0.18 0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 36.05 3ig3 s LYS 1319CO 0.25 -0.24 0.80 0.39 0.10 0.00 0.00 175.35 176.66 3ig3 n GLU 1320N -0.11 0.82 -3.64 1.78 4.71 -1.26 -4.82 120.64 118.12 3ig3 n GLU 1320Ca -0.06 0.31 -0.28 0.00 -0.01 0.00 0.00 57.16 57.12 3ig3 n GLU 1320Cb 0.64 -1.95 -0.12 0.00 -1.01 0.00 0.00 31.44 29.00 3ig3 n GLU 1320CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3ig3 s LEU 1321N -0.65 2.85 -0.24 -4.62 1.98 -1.26 -5.05 118.68 111.69 3ig3 s LEU 1321Ca 0.71 -3.18 -0.29 0.00 -2.89 0.00 0.00 54.13 48.48 3ig3 s LEU 1321Cb -0.46 -0.98 -0.02 0.00 0.66 0.00 0.00 46.19 45.39 3ig3 s LEU 1321CO 0.52 -0.17 1.52 -1.81 -1.89 0.00 0.00 176.35 174.51 3ig3 s ASP 1322N -0.33 6.48 0.05 3.68 -0.00 -1.26 -4.97 116.67 120.31 3ig3 s ASP 1322Ca 0.26 1.50 0.02 0.00 -0.00 0.00 0.00 52.55 54.33 3ig3 s ASP 1322Cb -0.07 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.92 40.29 3ig3 s ASP 1322CO -0.13 -1.20 -0.07 0.28 -0.00 0.00 0.00 175.17 174.06 3ig3 s THR 1323N 4.92 0.49 0.68 -1.27 -1.32 -1.26 -5.14 115.64 112.74 3ig3 s THR 1323Ca 0.67 -1.19 -0.17 0.00 -1.21 0.00 0.00 61.69 59.79 3ig3 s THR 1323Cb -0.22 -0.73 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 3ig3 s THR 1323CO 0.27 -0.48 0.91 -2.65 -2.21 0.00 0.00 174.62 170.46 3ig3 n PRO 1324N 1.24 0.60 -0.12 7.08 -0.02 -1.26 -4.73 135.00 137.79 3ig3 n PRO 1324Ca -0.21 0.25 -0.08 0.00 -2.02 0.00 0.00 63.50 61.44 3ig3 n PRO 1324Cb 0.56 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3ig3 n PRO 1324CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ig3 h PRO 1325N -0.04 0.48 -0.23 0.52 0.11 -1.99 -0.64 132.00 130.21 3ig3 h PRO 1325Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3ig3 h PRO 1325Cb 1.35 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ig3 h PRO 1325CO 0.48 0.32 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.63 3ig3 h ASN 1326N 0.49 0.32 0.00 -2.05 -0.26 -1.88 -0.43 115.58 111.78 3ig3 h ASN 1326Ca 0.14 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3ig3 h ASN 1326Cb -0.04 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 3ig3 h ASN 1326CO -0.04 0.42 -0.00 0.58 -1.06 0.00 0.00 177.43 177.33 3ig3 h VAL 1327N 0.34 1.36 -0.53 2.81 2.07 -1.64 -1.46 116.25 119.20 3ig3 h VAL 1327Ca 0.07 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3ig3 h VAL 1327Cb 0.30 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 3ig3 h VAL 1327CO 0.01 0.28 0.29 -0.08 0.02 0.00 0.00 177.57 178.09 3ig3 h GLU 1328N -0.46 0.56 -0.34 1.57 4.81 -0.97 0.41 114.58 120.15 3ig3 h GLU 1328Ca -0.00 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3ig3 h GLU 1328Cb 0.46 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 3ig3 h GLU 1328CO 0.00 0.37 0.04 -0.22 -0.73 0.00 0.00 179.01 178.46 3ig3 h LYS 1329N 0.57 0.14 -0.56 1.92 3.64 -1.05 -0.72 116.57 120.52 3ig3 h LYS 1329Ca 0.23 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3ig3 h LYS 1329Cb 0.09 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ig3 h LYS 1329CO -0.13 0.09 0.20 0.00 -2.27 0.00 0.00 179.45 177.34 3ig3 h ALA 1330N 1.27 0.73 -0.57 5.00 0.00 -0.85 -2.74 119.26 122.10 3ig3 h ALA 1330Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ig3 h ALA 1330Cb 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ig3 h ALA 1330CO -0.24 0.37 0.19 -0.07 0.00 0.00 0.00 179.25 179.50 3ig3 h LEU 1331N 0.77 0.78 -0.70 0.00 3.38 -0.39 -0.98 115.31 118.18 3ig3 h LEU 1331Ca 0.18 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3ig3 h LEU 1331Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ig3 h LEU 1331CO -0.01 0.73 -0.24 0.03 0.09 0.00 0.00 178.44 179.05 3ig3 h ARG 1332N 0.83 0.74 -0.51 1.13 3.08 -0.99 0.18 114.38 118.85 3ig3 h ARG 1332Ca 0.19 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3ig3 h ARG 1332Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3ig3 h ARG 1332CO -0.01 0.91 0.02 -0.07 -1.07 0.00 0.00 179.97 179.75 3ig3 h LEU 1333N 0.65 0.80 -0.42 3.04 3.38 -1.17 -2.30 115.31 119.29 3ig3 h LEU 1333Ca 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ig3 h LEU 1333Cb 0.74 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3ig3 h LEU 1333CO 0.06 0.86 0.10 0.15 0.09 0.00 0.00 178.44 179.70 3ig3 h PHE 1334N 0.78 0.70 -0.73 1.13 3.57 -0.68 -2.29 116.94 119.42 3ig3 h PHE 1334Ca 0.15 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.69 3ig3 h PHE 1334Cb 0.44 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 3ig3 h PHE 1334CO 0.02 0.66 0.49 0.78 -2.23 0.00 0.00 178.31 178.03 3ig3 h GLY 1335N 0.54 0.83 2.00 2.40 0.00 -0.41 -0.89 103.07 107.53 3ig3 h GLY 1335Ca 0.13 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 3ig3 h GLY 1335CO 0.00 0.12 -0.71 1.46 0.00 0.00 0.00 176.54 177.40 3ig3 h GLN 1336N 0.55 0.00 -0.18 4.80 4.20 -1.15 -2.81 115.11 120.53 3ig3 h GLN 1336Ca 0.35 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 3ig3 h GLN 1336Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3ig3 h GLN 1336CO -0.12 0.71 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.57 3ig3 h LEU 1337N 0.00 0.27 -1.86 1.46 3.38 -0.61 -1.86 115.31 116.09 3ig3 h LEU 1337Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3ig3 h LEU 1337Cb 1.41 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 3ig3 h LEU 1337CO 0.09 0.41 -0.11 -0.07 0.09 0.00 0.00 178.44 178.85 3ig3 h LEU 1338N 0.27 0.00 -0.39 1.67 3.38 -1.13 -0.42 115.31 118.70 3ig3 h LEU 1338Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ig3 h LEU 1338Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ig3 h LEU 1338CO 0.02 0.11 0.00 1.41 0.09 0.00 0.00 178.44 180.07 3ig3 n HIS 1339N -3.53 0.02 -3.23 1.13 8.25 -0.71 -4.68 115.22 112.47 3ig3 n HIS 1339Ca -0.01 -0.01 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 3ig3 n HIS 1339Cb 0.25 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.29 3ig3 n HIS 1339CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ig3 s SER 1340N -1.89 6.41 0.13 0.41 0.15 -0.16 -4.97 113.70 113.78 3ig3 s SER 1340Ca 0.40 0.39 -0.19 0.00 0.70 0.00 0.00 55.95 57.25 3ig3 s SER 1340Cb 0.20 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 3ig3 s SER 1340CO 0.32 -0.34 1.73 -0.09 1.20 0.00 0.00 173.24 176.07 3ig3 h ARG 1341N 8.14 0.13 -0.66 5.44 2.43 -1.84 -0.72 114.38 127.29 3ig3 h ARG 1341Ca -0.29 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3ig3 h ARG 1341Cb 1.14 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3ig3 h ARG 1341CO 0.73 0.08 0.42 0.00 -1.51 0.00 0.00 179.97 179.69 3ig3 h ALA 1342N 1.16 0.84 0.23 2.80 0.00 -1.93 -1.13 119.26 121.24 3ig3 h ALA 1342Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ig3 h ALA 1342Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ig3 h ALA 1342CO -0.14 0.29 -0.11 0.35 0.00 0.00 0.00 179.25 179.64 3ig3 h PHE 1343N 0.90 -0.29 -0.62 0.00 3.57 -1.70 -1.95 116.94 116.85 3ig3 h PHE 1343Ca 0.24 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3ig3 h PHE 1343Cb -0.07 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3ig3 h PHE 1343CO -0.02 -0.09 0.21 1.25 -2.23 0.00 0.00 178.31 177.43 3ig3 h LEU 1344N -0.44 0.89 -0.18 0.59 5.85 -0.99 0.46 115.31 121.49 3ig3 h LEU 1344Ca -0.03 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3ig3 h LEU 1344Cb 0.33 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3ig3 h LEU 1344CO 0.05 0.85 0.02 -0.07 -0.34 0.00 0.00 178.44 178.94 3ig3 h LEU 1345N 0.88 -0.03 -0.33 2.25 3.38 -1.24 -1.34 115.31 118.87 3ig3 h LEU 1345Ca 0.20 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3ig3 h LEU 1345Cb 0.26 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ig3 h LEU 1345CO -0.01 0.01 0.05 0.74 0.09 0.00 0.00 178.44 179.32 3ig3 h THR 1346N 0.08 1.24 -0.10 0.22 2.02 -0.68 -1.36 112.91 114.33 3ig3 h THR 1346Ca 0.08 -0.83 0.04 0.00 0.77 0.00 0.00 66.41 66.47 3ig3 h THR 1346Cb 0.09 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3ig3 h THR 1346CO -0.12 0.28 -0.23 0.15 0.37 0.00 0.00 175.52 175.96 3ig3 h PHE 1347N 0.39 -0.61 -0.32 3.16 3.57 0.01 0.01 116.94 123.16 3ig3 h PHE 1347Ca 0.10 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3ig3 h PHE 1347Cb 0.35 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3ig3 h PHE 1347CO 0.02 -0.31 0.04 0.82 -2.23 0.00 0.00 178.31 176.66 3ig3 h ILE 1348N -0.30 1.24 -0.21 1.41 2.04 -1.17 -2.16 117.51 118.35 3ig3 h ILE 1348Ca 0.09 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 3ig3 h ILE 1348Cb 0.44 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3ig3 h ILE 1348CO -0.28 0.28 -0.14 0.45 0.00 0.00 0.00 178.15 178.46 3ig3 h HIS 1349N 0.35 0.36 -0.08 1.37 3.86 -1.06 -1.88 115.15 118.07 3ig3 h HIS 1349Ca 0.09 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3ig3 h HIS 1349Cb 0.36 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 3ig3 h HIS 1349CO 0.03 0.47 -0.02 1.15 0.86 0.00 0.00 177.93 180.42 3ig3 h THR 1350N 0.32 1.30 -0.49 2.45 2.02 -0.86 -2.53 112.91 115.11 3ig3 h THR 1350Ca 0.06 -0.94 0.07 0.00 0.77 0.00 0.00 66.41 66.36 3ig3 h THR 1350Cb 0.44 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 3ig3 h THR 1350CO 0.03 0.26 0.16 -0.07 0.37 0.00 0.00 175.52 176.27 3ig3 h LEU 1351N -0.18 0.15 -1.55 2.58 3.38 -1.15 -2.09 115.31 116.45 3ig3 h LEU 1351Ca 0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3ig3 h LEU 1351Cb 0.43 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ig3 h LEU 1351CO 0.01 0.12 -0.14 -0.33 0.09 0.00 0.00 178.44 178.18 3ig3 h GLU 1352N 0.33 0.00 0.00 1.13 5.08 -1.32 -1.68 114.58 118.12 3ig3 h GLU 1352Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3ig3 h GLU 1352Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ig3 h GLU 1352CO -0.25 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 177.90 3ig3 n ALA 1353N -2.22 2.34 -2.69 3.43 0.00 -0.79 -4.77 120.51 115.81 3ig3 n ALA 1353Ca -0.01 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 3ig3 n ALA 1353Cb 0.32 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 3ig3 n ALA 1353CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ig3 s GLN 1354N -2.59 4.26 0.35 0.00 -1.52 -0.63 -4.98 119.66 114.55 3ig3 s GLN 1354Ca 0.25 0.35 0.15 0.00 -1.95 0.00 0.00 55.36 54.15 3ig3 s GLN 1354Cb 0.18 -3.41 0.62 0.00 -0.22 0.00 0.00 33.01 30.18 3ig3 s GLN 1354CO 0.41 0.25 1.73 0.66 -0.25 0.00 0.00 175.29 178.10 3ig3 h SER 1355N 6.45 0.00 0.85 5.90 4.64 -1.86 -2.47 113.55 127.07 3ig3 h SER 1355Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3ig3 h SER 1355Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3ig3 h SER 1355CO 0.74 0.45 0.00 -1.54 -0.87 0.00 0.00 176.83 175.60 3ig3 n SER 1356N -3.78 0.11 -4.56 4.97 3.41 -1.26 -4.61 113.62 107.90 3ig3 n SER 1356Ca -0.01 0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 58.70 3ig3 n SER 1356Cb 0.50 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 3ig3 n SER 1356CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ig3 s PHE 1357N -3.03 2.47 0.78 7.33 5.36 -0.93 -5.01 117.98 124.96 3ig3 s PHE 1357Ca 0.11 0.16 -0.09 0.00 -0.96 0.00 0.00 56.93 56.15 3ig3 s PHE 1357Cb 0.15 -4.54 0.10 0.00 -0.34 0.00 0.00 43.02 38.39 3ig3 s PHE 1357CO 0.43 -1.80 1.11 -1.54 -1.46 0.00 0.00 175.22 171.97 3ig3 s SER 1358N 3.32 4.33 0.32 6.13 1.04 -1.26 -4.85 113.70 122.72 3ig3 s SER 1358Ca 0.38 0.38 0.01 0.00 0.48 0.00 0.00 55.95 57.20 3ig3 s SER 1358Cb -0.08 -0.84 0.53 0.00 0.10 0.00 0.00 66.02 65.73 3ig3 s SER 1358CO 0.20 -1.94 1.93 0.24 0.98 0.00 0.00 173.24 174.65 3ig3 h MET 1359N -0.91 0.83 -0.34 4.02 2.86 -1.95 -0.37 114.93 119.07 3ig3 h MET 1359Ca -0.44 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 3ig3 h MET 1359Cb 1.30 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 3ig3 h MET 1359CO 0.54 0.64 0.22 -0.09 1.06 0.00 0.00 176.91 179.28 3ig3 h ARG 1360N 0.83 0.46 -0.59 1.72 9.65 -1.99 -2.53 114.38 121.93 3ig3 h ARG 1360Ca 0.21 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 3ig3 h ARG 1360Cb 0.08 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 3ig3 h ARG 1360CO -0.03 0.33 0.33 -0.44 2.80 0.00 0.00 179.97 182.96 3ig3 h ASP 1361N 0.46 0.73 -0.76 -3.80 3.32 -1.73 -1.36 116.42 113.28 3ig3 h ASP 1361Ca 0.12 -0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.20 3ig3 h ASP 1361Cb -0.02 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.26 3ig3 h ASP 1361CO -0.03 0.60 0.38 0.03 -1.72 0.00 0.00 179.24 178.50 3ig3 h ARG 1362N 0.79 0.59 -0.37 3.56 3.08 -0.87 0.94 114.38 122.11 3ig3 h ARG 1362Ca 0.21 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 3ig3 h ARG 1362Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3ig3 h ARG 1362CO -0.04 0.39 -0.36 0.78 -1.07 0.00 0.00 179.97 179.68 3ig3 h GLY 1363N 0.61 0.92 0.93 0.04 0.00 -1.05 -1.40 103.07 103.12 3ig3 h GLY 1363Ca 0.39 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3ig3 h GLY 1363CO -0.30 0.82 0.14 -0.84 0.00 0.00 0.00 176.54 176.36 3ig3 h THR 1364N 0.70 1.17 -0.50 4.70 2.02 -0.22 -0.56 112.91 120.22 3ig3 h THR 1364Ca 0.07 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 3ig3 h THR 1364Cb 0.92 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3ig3 h THR 1364CO 0.09 0.17 -0.03 0.58 0.37 0.00 0.00 175.52 176.70 3ig3 h VAL 1365N 0.35 1.27 -0.75 3.16 2.07 -0.84 -0.78 116.25 120.72 3ig3 h VAL 1365Ca 0.10 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.50 3ig3 h VAL 1365Cb 0.15 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3ig3 h VAL 1365CO -0.01 0.39 0.49 0.00 0.02 0.00 0.00 177.57 178.47 3ig3 h ALA 1366N 0.92 0.95 -0.13 1.67 0.00 -1.09 -0.50 119.26 121.09 3ig3 h ALA 1366Ca 0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3ig3 h ALA 1366Cb 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ig3 h ALA 1366CO 0.03 0.38 -0.38 0.77 0.00 0.00 0.00 179.25 180.05 3ig3 h SER 1367N 1.02 0.56 -0.74 0.00 0.02 -0.92 -2.67 113.55 110.82 3ig3 h SER 1367Ca 0.27 -0.59 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 3ig3 h SER 1367Cb -0.11 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3ig3 h SER 1367CO -0.06 1.06 0.22 -0.07 -1.14 0.00 0.00 176.83 176.84 3ig3 h LEU 1368N 0.10 1.09 -0.49 5.07 3.38 -1.05 -1.97 115.31 121.44 3ig3 h LEU 1368Ca -0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3ig3 h LEU 1368Cb 1.00 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3ig3 h LEU 1368CO 0.08 1.02 0.11 0.74 0.09 0.00 0.00 178.44 180.48 3ig3 h THR 1369N 1.11 1.24 -0.14 0.22 2.02 -1.13 -0.85 112.91 115.38 3ig3 h THR 1369Ca 0.24 -0.86 -0.13 0.00 0.77 0.00 0.00 66.41 66.43 3ig3 h THR 1369Cb 0.33 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3ig3 h THR 1369CO -0.00 0.31 -0.46 0.24 0.37 0.00 0.00 175.52 175.98 3ig3 h MET 1370N 0.67 0.35 -0.33 6.66 2.86 -1.32 -1.22 114.93 122.59 3ig3 h MET 1370Ca 0.15 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3ig3 h MET 1370Cb 0.35 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3ig3 h MET 1370CO 0.00 0.74 0.09 0.28 1.06 0.00 0.00 176.91 179.08 3ig3 h VAL 1371N 0.28 1.22 0.00 -2.22 2.07 -1.25 -1.08 116.25 115.27 3ig3 h VAL 1371Ca 0.02 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3ig3 h VAL 1371Cb 0.92 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3ig3 h VAL 1371CO 0.08 0.25 -0.12 0.00 0.02 0.00 0.00 177.57 177.79 3ig3 h ALA 1372N 0.92 1.43 -0.35 1.67 0.00 -0.78 -2.49 119.26 119.66 3ig3 h ALA 1372Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ig3 h ALA 1372Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ig3 h ALA 1372CO 0.00 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3ig3 n LEU 1373N -3.86 3.23 -0.02 0.00 4.77 -0.49 -4.53 117.00 116.09 3ig3 n LEU 1373Ca -0.02 -1.54 0.17 0.00 -0.03 0.00 0.00 56.01 54.59 3ig3 n LEU 1373Cb 0.22 -0.23 0.62 0.00 -2.33 0.00 0.00 43.42 41.70 3ig3 n LEU 1373CO 0.31 0.71 1.18 -0.61 -1.33 0.00 0.00 177.39 177.65 3ig3 h GLN 1374N 3.83 0.15 -0.01 3.23 5.75 -0.72 0.11 115.11 127.46 3ig3 h GLN 1374Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3ig3 h GLN 1374Cb 0.89 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.40 3ig3 h GLN 1374CO 0.00 0.10 -0.01 -1.13 -2.65 0.00 0.00 178.83 175.13 3ig3 n SER 1375N -4.43 0.54 -3.06 -0.69 3.41 -1.26 -4.08 113.62 104.05 3ig3 n SER 1375Ca 0.10 -1.09 -0.16 0.00 -0.26 0.00 0.00 58.87 57.46 3ig3 n SER 1375Cb 0.51 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3ig3 n SER 1375CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3ig3 n ARG 1376N -0.63 1.00 0.25 4.33 0.63 0.38 -4.75 116.66 117.89 3ig3 n ARG 1376Ca 0.21 -3.18 0.13 0.00 -0.92 0.00 0.00 57.85 54.09 3ig3 n ARG 1376Cb 0.21 -1.54 0.66 0.00 0.45 0.00 0.00 32.46 32.24 3ig3 n ARG 1376CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3ig3 h LEU 1377N 2.98 0.00 -0.25 6.15 3.38 -1.69 -1.35 115.31 124.53 3ig3 h LEU 1377Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ig3 h LEU 1377Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3ig3 h LEU 1377CO 0.45 0.14 0.06 -2.24 0.09 0.00 0.00 178.44 176.94 3ig3 h ASP 1378N 0.00 0.39 -0.11 -0.43 2.03 -1.88 -0.74 116.42 115.68 3ig3 h ASP 1378Ca -0.00 -0.24 -0.00 0.00 -0.73 0.00 0.00 57.03 56.06 3ig3 h ASP 1378Cb 0.48 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.87 3ig3 h ASP 1378CO 0.02 0.52 0.05 0.22 -1.03 0.00 0.00 179.24 179.02 3ig3 h TYR 1379N 0.24 0.15 -0.99 4.15 3.20 -1.83 -2.98 116.97 118.91 3ig3 h TYR 1379Ca 0.08 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.06 3ig3 h TYR 1379Cb 0.29 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 3ig3 h TYR 1379CO 0.01 0.22 0.63 0.00 -1.64 0.00 0.00 178.16 177.38 3ig3 h ALA 1380N 0.92 1.55 -0.42 1.82 0.00 -1.12 -1.94 119.26 120.07 3ig3 h ALA 1380Ca 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3ig3 h ALA 1380Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ig3 h ALA 1380CO -0.00 0.22 -0.29 1.15 0.00 0.00 0.00 179.25 180.33 3ig3 h THR 1381N 0.98 1.27 -0.32 0.00 2.02 -1.04 0.17 112.91 116.00 3ig3 h THR 1381Ca 0.48 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 66.23 3ig3 h THR 1381Cb 0.47 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3ig3 h THR 1381CO -0.24 0.49 0.16 1.23 0.37 0.00 0.00 175.52 177.52 3ig3 h GLY 1382N 0.88 0.42 1.14 2.16 0.00 -1.26 -1.62 103.07 104.78 3ig3 h GLY 1382Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3ig3 h GLY 1382CO 0.08 0.09 0.12 1.41 0.00 0.00 0.00 176.54 178.24 3ig3 h LEU 1383N 0.33 1.01 -0.43 3.11 3.38 -0.96 -2.50 115.31 119.25 3ig3 h LEU 1383Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ig3 h LEU 1383Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ig3 h LEU 1383CO -0.09 0.99 0.28 0.25 0.09 0.00 0.00 178.44 179.96 3ig3 h LEU 1384N 1.00 0.50 -0.99 1.67 5.85 -0.45 -1.05 115.31 121.85 3ig3 h LEU 1384Ca 0.20 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ig3 h LEU 1384Cb 0.40 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3ig3 h LEU 1384CO 0.01 0.37 0.39 0.11 -0.34 0.00 0.00 178.44 178.98 3ig3 h LYS 1385N 0.58 1.11 -0.38 1.25 1.57 -1.13 -0.19 116.57 119.38 3ig3 h LYS 1385Ca 0.16 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3ig3 h LYS 1385Cb -0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3ig3 h LYS 1385CO -0.03 0.84 0.11 0.37 -0.57 0.00 0.00 179.45 180.16 3ig3 h GLN 1386N 1.10 0.59 -0.78 3.15 5.75 -1.06 0.93 115.11 124.79 3ig3 h GLN 1386Ca 0.27 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3ig3 h GLN 1386Cb 0.09 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 3ig3 h GLN 1386CO -0.04 0.61 0.51 -0.07 -2.65 0.00 0.00 178.83 177.20 3ig3 h LEU 1387N 0.46 0.88 -0.39 -2.39 3.38 -0.70 0.28 115.31 116.82 3ig3 h LEU 1387Ca 0.12 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3ig3 h LEU 1387Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ig3 h LEU 1387CO -0.00 0.63 -0.21 -0.07 0.09 0.00 0.00 178.44 178.88 3ig3 h LEU 1388N 1.04 0.86 -0.71 1.67 3.38 -0.82 -0.38 115.31 120.34 3ig3 h LEU 1388Ca 0.29 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3ig3 h LEU 1388Cb -0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 3ig3 h LEU 1388CO -0.08 1.09 0.37 0.00 0.09 0.00 0.00 178.44 179.91 3ig3 h ALA 1389N 0.80 0.91 -0.54 1.53 0.00 -0.45 0.11 119.26 121.63 3ig3 h ALA 1389Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ig3 h ALA 1389Cb 0.77 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ig3 h ALA 1389CO 0.06 0.45 0.31 -0.44 0.00 0.00 0.00 179.25 179.63 3ig3 h ASP 1390N 0.99 0.67 -0.46 0.00 3.32 -0.25 0.26 116.42 120.95 3ig3 h ASP 1390Ca 0.25 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3ig3 h ASP 1390Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3ig3 h ASP 1390CO -0.04 0.56 0.15 0.25 -1.72 0.00 0.00 179.24 178.43 3ig3 h LEU 1391N 0.73 0.66 -0.24 1.55 5.85 -0.72 -1.31 115.31 121.83 3ig3 h LEU 1391Ca 0.19 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3ig3 h LEU 1391Cb 0.03 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3ig3 h LEU 1391CO -0.03 0.69 -0.02 0.40 -0.34 0.00 0.00 178.44 179.14 3ig3 h ILE 1392N 0.60 1.27 0.18 4.05 2.04 -0.76 -2.11 117.51 122.77 3ig3 h ILE 1392Ca 0.15 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3ig3 h ILE 1392Cb 0.26 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3ig3 h ILE 1392CO -0.01 0.30 -0.16 -0.08 0.00 0.00 0.00 178.15 178.21 3ig3 h GLU 1393N 0.20 -0.34 -0.49 2.37 4.57 -0.90 -1.01 114.58 118.97 3ig3 h GLU 1393Ca 0.07 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.36 3ig3 h GLU 1393Cb 0.45 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.04 3ig3 h GLU 1393CO 0.02 -0.23 0.04 -0.22 -1.18 0.00 0.00 179.01 177.44 3ig3 h LYS 1394N -0.36 0.15 -0.37 1.92 3.64 -1.21 -1.26 116.57 119.08 3ig3 h LYS 1394Ca -0.00 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 3ig3 h LYS 1394Cb 0.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3ig3 h LYS 1394CO -0.03 0.10 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.09 3ig3 h ASN 1395N 0.16 0.86 0.95 4.20 2.35 -1.22 0.29 115.58 123.17 3ig3 h ASN 1395Ca 0.25 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3ig3 h ASN 1395Cb 0.36 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3ig3 h ASN 1395CO -0.38 1.11 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.38 3ig3 h LEU 1396N 0.62 0.00 0.00 1.61 3.38 -0.93 -0.76 115.31 119.22 3ig3 h LEU 1396Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3ig3 h LEU 1396Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3ig3 h LEU 1396CO 0.07 0.06 -1.95 -0.62 0.09 0.00 0.00 178.44 176.10 3ig3 n GLU 1397N -3.20 0.66 0.00 1.13 1.02 -0.50 -2.72 120.64 117.03 3ig3 n GLU 1397Ca 0.00 -0.12 0.04 0.00 -0.02 0.00 0.00 57.16 57.06 3ig3 n GLU 1397Cb 0.33 -1.56 0.19 0.00 -0.02 0.00 0.00 31.44 30.38 3ig3 n GLU 1397CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3ig3 n SER 1398N -2.40 0.00 -2.53 1.62 7.64 0.10 -4.87 113.62 113.18 3ig3 n SER 1398Ca -0.08 0.48 -0.15 0.00 1.01 0.00 0.00 58.87 60.13 3ig3 n SER 1398Cb 0.67 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 63.44 3ig3 n SER 1398CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3ig3 n LYS 1399N -1.49 -5.11 -2.48 1.43 0.00 -0.73 -5.02 118.16 104.75 3ig3 n LYS 1399Ca 0.02 0.54 -0.25 0.00 0.00 0.00 0.00 58.31 58.62 3ig3 n LYS 1399Cb 0.10 -4.71 0.03 0.00 0.00 0.00 0.00 35.03 30.46 3ig3 n LYS 1399CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3ig3 s ASN 1400N -3.29 5.48 0.20 3.14 0.01 -0.37 -5.01 114.94 115.10 3ig3 s ASN 1400Ca 0.34 0.54 -0.32 0.00 -0.71 0.00 0.00 52.86 52.70 3ig3 s ASN 1400Cb -0.15 -1.51 -0.13 0.00 0.41 0.00 0.00 41.25 39.87 3ig3 s ASN 1400CO 0.48 -1.09 1.68 0.00 -1.51 0.00 0.00 177.10 176.65 3ig3 n HIS 1401N -2.53 2.63 0.15 2.20 1.44 -1.26 -4.73 115.22 113.12 3ig3 n HIS 1401Ca 0.05 0.10 -0.14 0.00 -2.01 0.00 0.00 57.72 55.72 3ig3 n HIS 1401Cb 0.58 -2.64 -0.07 0.00 0.12 0.00 0.00 29.99 27.98 3ig3 n HIS 1401CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 3ig3 h PRO 1402N 6.51 -0.61 -0.16 -1.40 0.11 -1.95 -2.28 132.00 132.22 3ig3 h PRO 1402Ca -0.44 0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.76 3ig3 h PRO 1402Cb 1.22 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3ig3 h PRO 1402CO 0.94 -0.41 0.12 0.87 -0.21 0.00 0.00 178.00 179.31 3ig3 h LYS 1403N -0.63 0.00 0.00 1.05 1.57 -1.91 -0.67 116.57 115.98 3ig3 h LYS 1403Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3ig3 h LYS 1403Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3ig3 h LYS 1403CO -0.16 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.00 3ig3 n LEU 1404N -4.39 0.00 -4.87 2.94 4.77 -0.86 -4.78 117.00 109.82 3ig3 n LEU 1404Ca 0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 3ig3 n LEU 1404Cb 0.25 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3ig3 n LEU 1404CO 0.34 0.00 0.26 -0.22 -1.33 0.00 0.00 177.39 176.44 3ig3 s LEU 1405N -1.09 4.15 -0.19 2.23 0.20 -0.26 -3.97 118.68 119.75 3ig3 s LEU 1405Ca 0.04 1.01 0.00 0.00 0.69 0.00 0.00 54.13 55.87 3ig3 s LEU 1405Cb 0.02 -3.76 0.00 0.00 -0.43 0.00 0.00 46.19 42.02 3ig3 s LEU 1405CO 0.03 -0.10 0.00 0.18 -0.29 0.00 0.00 176.35 176.17 3ig3 n LEU 1406N -0.15 0.67 0.00 -0.68 4.77 -1.26 -4.79 117.00 115.55 3ig3 n LEU 1406Ca 0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3ig3 n LEU 1406Cb 0.53 -2.31 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 3ig3 n LEU 1406CO 0.44 -0.90 0.00 -1.14 -1.33 0.00 0.00 177.39 174.46 3ig3 n ARG 1407N 0.27 0.00 0.04 3.23 3.00 -1.25 -4.71 116.66 117.23 3ig3 n ARG 1407Ca -0.02 0.01 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 3ig3 n ARG 1407Cb 0.46 -0.27 0.04 0.00 0.00 0.00 0.00 32.46 32.69 3ig3 n ARG 1407CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3ig3 n ARG 1408N -1.97 0.33 -0.34 -0.14 5.12 -1.26 -4.23 116.66 114.17 3ig3 n ARG 1408Ca 0.00 0.01 0.17 0.00 -1.93 0.00 0.00 57.85 56.11 3ig3 n ARG 1408Cb 0.00 -1.63 0.39 0.00 -1.16 0.00 0.00 32.46 30.06 3ig3 n ARG 1408CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3ig3 h THR 1409N 0.00 0.56 -5.37 0.55 1.35 -1.87 -3.45 112.91 104.68 3ig3 h THR 1409Ca 0.00 -0.20 -0.39 0.00 -0.55 0.00 0.00 66.41 65.27 3ig3 h THR 1409Cb 0.77 -0.09 -0.06 0.00 -1.73 0.00 0.00 68.15 67.04 3ig3 h THR 1409CO 0.00 0.11 -0.58 1.21 -0.25 0.00 0.00 175.52 176.01 3ig3 n GLU 1410N -4.85 -3.69 -1.18 4.72 4.07 -1.26 -4.91 120.64 113.54 3ig3 n GLU 1410Ca 0.26 0.54 -0.29 0.00 -0.06 0.00 0.00 57.16 57.61 3ig3 n GLU 1410Cb 0.73 -5.28 0.15 0.00 -0.06 0.00 0.00 31.44 26.99 3ig3 n GLU 1410CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3ig3 s SER 1411N -2.75 3.17 0.22 4.31 1.04 -1.26 -4.90 113.70 113.53 3ig3 s SER 1411Ca 0.40 1.40 -0.08 0.00 0.48 0.00 0.00 55.95 58.15 3ig3 s SER 1411Cb -0.21 -2.07 0.19 0.00 0.10 0.00 0.00 66.02 64.02 3ig3 s SER 1411CO 0.50 -2.82 1.86 0.58 0.98 0.00 0.00 173.24 174.34 3ig3 h VAL 1412N -1.67 1.24 -0.60 5.02 2.07 -1.91 -2.71 116.25 117.68 3ig3 h VAL 1412Ca -0.51 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3ig3 h VAL 1412Cb 1.30 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3ig3 h VAL 1412CO 0.55 0.25 0.33 0.00 0.02 0.00 0.00 177.57 178.72 3ig3 h ALA 1413N 1.27 0.79 -0.51 1.67 0.00 -1.92 0.10 119.26 120.67 3ig3 h ALA 1413Ca 0.30 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3ig3 h ALA 1413Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ig3 h ALA 1413CO -0.06 0.01 -0.04 0.93 0.00 0.00 0.00 179.25 180.10 3ig3 h GLU 1414N 0.63 0.88 -0.39 0.00 5.08 -1.88 -0.12 114.58 118.78 3ig3 h GLU 1414Ca 0.26 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3ig3 h GLU 1414Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ig3 h GLU 1414CO -0.16 0.90 -0.37 0.87 -1.00 0.00 0.00 179.01 179.25 3ig3 h LYS 1415N 0.81 0.94 -0.71 2.33 1.57 -1.14 -1.84 116.57 118.52 3ig3 h LYS 1415Ca 0.15 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3ig3 h LYS 1415Cb 0.53 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3ig3 h LYS 1415CO 0.03 1.14 0.39 0.52 -0.57 0.00 0.00 179.45 180.97 3ig3 h MET 1416N 0.77 0.98 -0.66 3.15 2.86 -0.57 -1.37 114.93 120.09 3ig3 h MET 1416Ca 0.07 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3ig3 h MET 1416Cb 0.96 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 3ig3 h MET 1416CO 0.09 0.71 0.31 1.25 1.06 0.00 0.00 176.91 180.33 3ig3 h LEU 1417N 0.99 0.87 -0.61 1.22 5.85 -0.75 0.25 115.31 123.13 3ig3 h LEU 1417Ca 0.25 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ig3 h LEU 1417Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3ig3 h LEU 1417CO -0.04 0.77 0.34 0.74 -0.34 0.00 0.00 178.44 179.91 3ig3 h THR 1418N 0.92 1.19 -0.27 1.05 2.02 -1.02 0.00 112.91 116.80 3ig3 h THR 1418Ca 0.23 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 3ig3 h THR 1418Cb 0.14 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3ig3 h THR 1418CO -0.03 0.21 -0.16 0.78 0.37 0.00 0.00 175.52 176.69 3ig3 h ASN 1419N 0.83 0.46 -0.03 4.18 -0.26 -0.84 0.13 115.58 120.05 3ig3 h ASN 1419Ca 0.22 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3ig3 h ASN 1419Cb 0.03 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.17 3ig3 h ASN 1419CO -0.04 0.64 0.01 -0.25 -1.06 0.00 0.00 177.43 176.74 3ig3 h TRP 1420N 0.43 0.05 -0.97 1.19 7.01 -0.04 -0.61 115.95 123.01 3ig3 h TRP 1420Ca 0.08 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.11 3ig3 h TRP 1420Cb 0.53 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.52 3ig3 h TRP 1420CO 0.02 0.20 0.64 0.74 -2.79 0.00 0.00 178.44 177.24 3ig3 h PHE 1421N -0.11 1.19 -0.16 2.65 0.04 -0.81 -1.92 116.94 117.82 3ig3 h PHE 1421Ca 0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3ig3 h PHE 1421Cb 0.17 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 3ig3 h PHE 1421CO -0.02 0.67 0.10 1.15 -0.60 0.00 0.00 178.31 179.61 3ig3 h THR 1422N 1.21 1.05 -0.49 -1.55 2.02 -0.49 0.88 112.91 115.54 3ig3 h THR 1422Ca 0.39 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.51 3ig3 h THR 1422Cb 0.04 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3ig3 h THR 1422CO -0.13 0.05 0.25 -0.26 0.37 0.00 0.00 175.52 175.80 3ig3 h PHE 1423N 0.20 0.47 -0.00 3.16 0.04 -0.93 -3.28 116.94 116.59 3ig3 h PHE 1423Ca 0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3ig3 h PHE 1423Cb -0.01 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.00 3ig3 h PHE 1423CO -0.06 0.24 -0.51 1.28 -0.60 0.00 0.00 178.31 178.65 3ig3 n LEU 1424N -4.88 1.01 -0.93 1.54 4.77 -0.74 -3.75 117.00 114.01 3ig3 n LEU 1424Ca 0.04 -0.30 0.09 0.00 -0.03 0.00 0.00 56.01 55.82 3ig3 n LEU 1424Cb 0.12 -0.12 0.18 0.00 -2.33 0.00 0.00 43.42 41.26 3ig3 n LEU 1424CO 0.30 0.21 0.64 0.18 -1.33 0.00 0.00 177.39 177.39 3ig3 n LEU 1425N -0.99 3.11 -0.30 2.23 4.77 0.27 -4.51 117.00 121.57 3ig3 n LEU 1425Ca 0.08 -1.53 -0.05 0.00 -0.03 0.00 0.00 56.01 54.48 3ig3 n LEU 1425Cb 0.36 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 3ig3 n LEU 1425CO 0.32 0.69 1.09 -0.74 -1.33 0.00 0.00 177.39 177.42 3ig3 h HIS 1426N 3.56 1.22 -0.97 -1.77 2.76 -1.65 -1.80 115.15 116.50 3ig3 h HIS 1426Ca 0.00 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3ig3 h HIS 1426Cb 0.84 -0.37 -0.05 0.00 1.55 0.00 0.00 27.41 29.38 3ig3 h HIS 1426CO 0.21 0.90 0.64 0.87 -1.30 0.00 0.00 177.93 179.24 3ig3 h LYS 1427N 1.19 1.23 -0.49 5.26 6.56 -1.86 -0.84 116.57 127.62 3ig3 h LYS 1427Ca 0.28 -0.07 -0.08 0.00 -1.06 0.00 0.00 60.65 59.72 3ig3 h LYS 1427Cb 0.16 -0.28 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 3ig3 h LYS 1427CO -0.03 0.81 0.00 0.35 -2.06 0.00 0.00 179.45 178.52 3ig3 h PHE 1428N 1.26 0.88 0.16 -1.35 3.04 -1.66 0.20 116.94 119.47 3ig3 h PHE 1428Ca 0.37 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 3ig3 h PHE 1428Cb -0.07 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.21 3ig3 h PHE 1428CO -0.00 0.81 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.95 3ig3 h LEU 1429N 0.77 -0.18 -0.67 0.59 3.38 -0.82 0.26 115.31 118.63 3ig3 h LEU 1429Ca 0.15 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3ig3 h LEU 1429Cb 0.46 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 3ig3 h LEU 1429CO 0.02 0.02 0.29 0.11 0.09 0.00 0.00 178.44 178.97 3ig3 h LYS 1430N -0.39 0.48 0.05 1.13 1.79 -0.89 0.30 116.57 119.05 3ig3 h LYS 1430Ca -0.02 -0.03 -0.32 0.00 -2.18 0.00 0.00 60.65 58.10 3ig3 h LYS 1430Cb 0.30 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 3ig3 h LYS 1430CO 0.04 0.32 -1.82 0.39 -1.08 0.00 0.00 179.45 177.30 3ig3 n GLU 1431N -4.94 0.68 0.07 3.15 1.02 0.03 -4.80 120.64 115.86 3ig3 n GLU 1431Ca 0.11 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 3ig3 n GLU 1431Cb 0.30 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 3ig3 n GLU 1431CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ig3 h ALA 1433N 0.00 0.57 -0.66 0.00 0.00 -1.36 -3.35 119.26 114.47 3ig3 h ALA 1433Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ig3 h ALA 1433Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ig3 h ALA 1433CO 0.00 0.00 0.20 0.78 0.00 0.00 0.00 179.25 180.23 3ig3 h GLY 1434N 4.22 1.10 1.01 0.00 0.00 -0.58 -2.60 103.07 106.22 3ig3 h GLY 1434Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 3ig3 h GLY 1434CO 0.00 0.62 -0.33 -2.09 0.00 0.00 0.00 176.54 174.74 3ig3 h GLU 1435N 0.96 -0.88 -0.11 4.80 4.81 -1.74 0.37 114.58 122.78 3ig3 h GLU 1435Ca 0.21 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3ig3 h GLU 1435Cb 0.31 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3ig3 h GLU 1435CO -0.00 -0.58 -0.08 -1.00 -0.73 0.00 0.00 179.01 176.61 3ig3 h PRO 1436N -0.91 0.16 -0.07 0.92 0.13 -1.76 0.32 132.00 130.78 3ig3 h PRO 1436Ca -0.09 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3ig3 h PRO 1436Cb 0.70 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ig3 h PRO 1436CO 0.15 0.26 0.03 1.25 -0.23 0.00 0.00 178.00 179.47 3ig3 h LEU 1437N 0.16 0.10 -1.01 1.56 6.46 -1.26 -1.21 115.31 120.11 3ig3 h LEU 1437Ca 0.04 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 3ig3 h LEU 1437Cb 0.25 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 3ig3 h LEU 1437CO 0.01 0.20 -0.02 0.15 -0.62 0.00 0.00 178.44 178.17 3ig3 h PHE 1438N -0.01 0.73 -0.18 1.25 3.57 -0.38 -1.95 116.94 119.96 3ig3 h PHE 1438Ca 0.03 -0.10 -0.15 0.00 3.53 0.00 0.00 57.97 61.28 3ig3 h PHE 1438Cb 0.13 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3ig3 h PHE 1438CO -0.03 0.70 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.15 3ig3 h LEU 1439N 0.65 0.56 -0.54 0.59 3.38 -0.83 -1.13 115.31 117.99 3ig3 h LEU 1439Ca 0.13 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3ig3 h LEU 1439Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ig3 h LEU 1439CO 0.02 0.98 0.06 0.25 0.09 0.00 0.00 178.44 179.84 3ig3 h LEU 1440N 0.40 0.88 -0.06 1.67 5.85 -0.94 0.11 115.31 123.22 3ig3 h LEU 1440Ca 0.01 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3ig3 h LEU 1440Cb 1.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3ig3 h LEU 1440CO 0.10 0.94 -0.08 0.22 -0.34 0.00 0.00 178.44 179.28 3ig3 h TYR 1441N 0.80 -0.19 -0.90 1.25 3.20 -1.13 -0.36 116.97 119.64 3ig3 h TYR 1441Ca 0.16 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3ig3 h TYR 1441Cb 0.44 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 3ig3 h TYR 1441CO 0.03 -0.12 0.54 0.00 -1.64 0.00 0.00 178.16 176.98 3ig3 h ALA 1443N 1.30 0.10 0.16 0.00 0.00 -0.50 0.03 119.26 120.35 3ig3 h ALA 1443Ca 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ig3 h ALA 1443Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ig3 h ALA 1443CO -0.06 -0.27 -0.13 0.82 0.00 0.00 0.00 179.25 179.62 3ig3 h ILE 1444N -0.10 0.72 -0.29 0.00 2.04 -0.92 0.21 117.51 119.17 3ig3 h ILE 1444Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3ig3 h ILE 1444Cb 0.26 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3ig3 h ILE 1444CO 0.00 0.00 -0.02 0.50 0.00 0.00 0.00 178.15 178.63 3ig3 h LYS 1445N -0.30 0.06 -0.21 2.37 3.64 -1.04 -1.41 116.57 119.69 3ig3 h LYS 1445Ca -0.01 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ig3 h LYS 1445Cb 0.27 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3ig3 h LYS 1445CO -0.01 0.04 0.07 0.37 -2.27 0.00 0.00 179.45 177.65 3ig3 h GLN 1446N 0.06 0.32 -0.85 1.90 5.75 -0.83 -2.48 115.11 118.99 3ig3 h GLN 1446Ca 0.14 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3ig3 h GLN 1446Cb 0.19 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 3ig3 h GLN 1446CO -0.25 0.41 0.55 0.37 -2.65 0.00 0.00 178.83 177.27 3ig3 h GLN 1447N 0.17 1.07 -0.86 1.69 5.75 -0.76 -2.13 115.11 120.02 3ig3 h GLN 1447Ca 0.07 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3ig3 h GLN 1447Cb 0.22 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 3ig3 h GLN 1447CO -0.00 0.71 0.44 0.52 -2.65 0.00 0.00 178.83 177.84 3ig3 h MET 1448N 1.10 1.22 0.00 1.69 2.86 -1.07 -2.15 114.93 118.58 3ig3 h MET 1448Ca 0.33 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3ig3 h MET 1448Cb -0.05 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.38 3ig3 h MET 1448CO -0.10 0.92 0.00 0.39 1.06 0.00 0.00 176.91 179.18 3ig3 n GLU 1449N -4.33 0.55 0.22 1.72 1.02 -0.82 -2.26 120.64 116.73 3ig3 n GLU 1449Ca 0.09 0.03 0.14 0.00 -0.02 0.00 0.00 57.16 57.40 3ig3 n GLU 1449Cb 0.12 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.49 3ig3 n GLU 1449CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ig3 h LYS 1450N 0.00 0.00 -4.91 3.49 1.63 -1.14 -3.46 116.57 112.18 3ig3 h LYS 1450Ca 0.00 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.35 3ig3 h LYS 1450Cb 0.07 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.57 3ig3 h LYS 1450CO 0.00 0.00 -0.53 0.20 -3.45 0.00 0.00 179.45 175.67 3ig3 s GLY 1451N -4.03 2.22 0.30 5.01 0.00 -0.96 -5.06 107.32 104.80 3ig3 s GLY 1451Ca 0.05 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 42.75 3ig3 s GLY 1451CO 0.57 -1.60 1.37 -1.05 0.00 0.00 0.00 173.10 172.39 3ig3 n PRO 1452N -0.65 2.16 -4.07 2.90 -0.02 -1.26 -4.80 135.00 129.25 3ig3 n PRO 1452Ca 0.01 0.76 -0.26 0.00 -2.02 0.00 0.00 63.50 61.99 3ig3 n PRO 1452Cb 0.64 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.56 3ig3 n PRO 1452CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ig3 s ILE 1453N -0.58 1.07 -0.21 4.25 1.01 -1.26 -1.54 121.20 123.94 3ig3 s ILE 1453Ca 0.61 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 3ig3 s ILE 1453Cb -0.59 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 40.82 3ig3 s ILE 1453CO 0.56 0.37 1.05 -0.62 0.00 0.00 0.00 174.94 176.30 3ig3 s ASP 1454N 1.44 7.11 0.32 3.58 -1.08 0.35 -4.84 116.67 123.55 3ig3 s ASP 1454Ca 0.00 1.41 0.25 0.00 -0.52 0.00 0.00 52.55 53.69 3ig3 s ASP 1454Cb -0.13 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 39.89 3ig3 s ASP 1454CO -0.05 -0.65 1.75 0.00 0.52 0.00 0.00 175.17 176.74 3ig3 h ALA 1455N 7.46 1.00 0.00 3.66 0.00 -1.97 -0.91 119.26 128.50 3ig3 h ALA 1455Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.29 3ig3 h ALA 1455Cb 1.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3ig3 h ALA 1455CO 0.97 0.00 -2.42 -0.89 0.00 0.00 0.00 179.25 176.90 3ig3 n ILE 1456N -2.37 1.40 0.24 0.00 2.08 -1.26 -4.66 119.36 114.80 3ig3 n ILE 1456Ca 0.01 -0.39 0.11 0.00 0.56 0.00 0.00 62.75 63.05 3ig3 n ILE 1456Cb 0.20 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.34 3ig3 n ILE 1456CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3ig3 n THR 1457N -3.97 0.41 -1.03 1.39 -2.24 -1.23 -4.95 114.28 102.65 3ig3 n THR 1457Ca -0.49 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 60.83 3ig3 n THR 1457Cb 0.88 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3ig3 n THR 1457CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ig3 n GLY 1458N 1.25 0.46 3.86 3.38 0.00 -0.35 -5.02 105.19 108.77 3ig3 n GLY 1458Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3ig3 n GLY 1458CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ig3 s GLU 1459N -0.82 3.79 -0.04 1.61 2.02 -1.26 -4.44 118.70 119.57 3ig3 s GLU 1459Ca 0.00 0.82 -0.08 0.00 0.02 0.00 0.00 54.97 55.73 3ig3 s GLU 1459Cb 0.00 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.10 3ig3 s GLU 1459CO 0.00 -0.37 0.20 0.00 0.02 0.00 0.00 175.26 175.11 3ig3 s ALA 1460N -2.82 -0.48 0.20 5.21 0.00 0.32 -0.49 121.76 123.69 3ig3 s ALA 1460Ca 0.57 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 3ig3 s ALA 1460Cb -0.10 -0.11 0.24 0.00 0.00 0.00 0.00 23.12 23.15 3ig3 s ALA 1460CO 0.40 -0.17 1.70 -0.09 0.00 0.00 0.00 175.76 177.61 3ig3 h ARG 1461N 4.93 0.21 -0.61 0.00 9.65 -1.58 -1.67 114.38 125.32 3ig3 h ARG 1461Ca -0.28 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.50 3ig3 h ARG 1461Cb 1.19 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.67 3ig3 h ARG 1461CO 0.39 0.14 0.10 0.66 2.80 0.00 0.00 179.97 184.06 3ig3 n TYR 1462N -5.15 2.11 -1.63 2.20 4.01 -1.26 -4.69 117.16 112.76 3ig3 n TYR 1462Ca 0.07 -0.94 -0.46 0.00 -0.16 0.00 0.00 57.90 56.41 3ig3 n TYR 1462Cb 0.28 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 3ig3 n TYR 1462CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ig3 n SER 1463N 0.19 2.06 0.13 7.72 2.88 -1.11 -4.84 113.62 120.66 3ig3 n SER 1463Ca 0.32 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 59.14 3ig3 n SER 1463Cb 1.24 -1.34 0.27 0.00 -0.75 0.00 0.00 64.21 63.63 3ig3 n SER 1463CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3ig3 h LEU 1464N 3.51 0.00 -9.04 2.46 5.85 -1.92 -3.42 115.31 112.75 3ig3 h LEU 1464Ca -0.44 -0.04 -0.62 0.00 0.84 0.00 0.00 57.88 57.63 3ig3 h LEU 1464Cb 1.31 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.21 3ig3 h LEU 1464CO 0.71 0.02 -0.26 -0.55 -0.34 0.00 0.00 178.44 178.02 3ig3 s SER 1465N -5.01 6.31 0.33 1.25 0.15 -1.26 -4.97 113.70 110.50 3ig3 s SER 1465Ca 0.08 0.36 0.06 0.00 0.70 0.00 0.00 55.95 57.14 3ig3 s SER 1465Cb 0.10 -2.20 0.70 0.00 -1.71 0.00 0.00 66.02 62.91 3ig3 s SER 1465CO 0.65 -0.11 1.88 -0.08 1.20 0.00 0.00 173.24 176.79 3ig3 h GLU 1466N 7.75 0.80 0.00 5.44 4.81 -1.97 -2.21 114.58 129.20 3ig3 h GLU 1466Ca -0.34 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3ig3 h GLU 1466Cb 1.16 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3ig3 h GLU 1466CO 0.67 0.53 -0.29 -0.44 -0.73 0.00 0.00 179.01 178.75 3ig3 h ASP 1467N 0.82 0.00 -0.33 1.04 3.32 -1.98 -2.83 116.42 116.45 3ig3 h ASP 1467Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 3ig3 h ASP 1467Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3ig3 h ASP 1467CO -0.19 0.29 0.00 0.29 -1.72 0.00 0.00 179.24 177.91 3ig3 n LYS 1468N -3.81 3.09 -2.49 3.56 4.76 -0.88 -4.97 118.16 117.41 3ig3 n LYS 1468Ca -0.01 -2.63 -0.43 0.00 -2.87 0.00 0.00 58.31 52.36 3ig3 n LYS 1468Cb 0.38 -1.70 -0.02 0.00 -1.84 0.00 0.00 35.03 31.85 3ig3 n LYS 1468CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3ig3 s LEU 1469N -2.21 4.16 0.09 -0.35 0.20 -0.90 -0.52 118.68 119.16 3ig3 s LEU 1469Ca 0.38 1.61 -0.32 0.00 0.69 0.00 0.00 54.13 56.49 3ig3 s LEU 1469Cb 0.28 -3.54 -0.11 0.00 -0.43 0.00 0.00 46.19 42.39 3ig3 s LEU 1469CO 0.13 -0.73 1.81 -0.38 -0.29 0.00 0.00 176.35 176.89 3ig3 n ILE 1470N 5.32 0.35 -1.04 6.68 5.41 -0.65 -4.82 119.36 130.62 3ig3 n ILE 1470Ca 0.13 -0.06 0.04 0.00 1.00 0.00 0.00 62.75 63.86 3ig3 n ILE 1470Cb 0.45 -1.99 0.29 0.00 -0.71 0.00 0.00 39.64 37.68 3ig3 n ILE 1470CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3ig3 n ARG 1471N 5.50 3.34 -4.28 0.38 3.00 -1.26 -4.86 116.66 118.47 3ig3 n ARG 1471Ca 0.19 -2.99 -0.15 0.00 -0.01 0.00 0.00 57.85 54.88 3ig3 n ARG 1471Cb 0.35 -2.00 -0.10 0.00 0.00 0.00 0.00 32.46 30.71 3ig3 n ARG 1471CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3ig3 s GLN 1472N -2.90 1.17 -0.18 5.56 -0.21 -1.26 -5.11 119.66 116.72 3ig3 s GLN 1472Ca 0.47 -1.53 -0.29 0.00 0.02 0.00 0.00 55.36 54.03 3ig3 s GLN 1472Cb 0.38 -0.67 -0.02 0.00 1.00 0.00 0.00 33.01 33.70 3ig3 s GLN 1472CO 0.10 0.03 1.36 -1.14 -2.12 0.00 0.00 175.29 173.52 3ig3 s GLN 1473N -3.77 4.11 -0.28 2.91 2.00 -1.26 -5.00 119.66 118.37 3ig3 s GLN 1473Ca 0.21 1.64 0.01 0.00 -2.00 0.00 0.00 55.36 55.22 3ig3 s GLN 1473Cb 0.03 -3.85 0.08 0.00 0.80 0.00 0.00 33.01 30.08 3ig3 s GLN 1473CO 0.04 -0.87 0.02 0.42 -0.50 0.00 0.00 175.29 174.40 3ig3 s ILE 1474N 3.93 1.48 0.22 -2.34 -1.09 -1.26 -5.11 121.20 117.03 3ig3 s ILE 1474Ca 0.59 -1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 57.18 3ig3 s ILE 1474Cb -0.22 -1.95 -0.08 0.00 -1.58 0.00 0.00 42.46 38.62 3ig3 s ILE 1474CO 0.20 -0.40 1.00 -1.81 -1.23 0.00 0.00 174.94 172.69 3ig3 s ASP 1475N 1.36 7.50 0.22 3.58 1.01 -1.26 -5.02 116.67 124.05 3ig3 s ASP 1475Ca 0.03 2.00 -0.22 0.00 0.71 0.00 0.00 52.55 55.08 3ig3 s ASP 1475Cb -0.18 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.18 3ig3 s ASP 1475CO -0.12 0.01 0.65 -0.72 0.21 0.00 0.00 175.17 175.20 3ig3 s TYR 1476N -0.86 -0.33 0.03 4.23 -0.85 -1.26 -4.93 117.35 113.38 3ig3 s TYR 1476Ca 0.44 -0.00 0.03 0.00 -0.52 0.00 0.00 57.07 57.01 3ig3 s TYR 1476Cb -0.27 0.61 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 3ig3 s TYR 1476CO 0.34 -1.04 -0.08 0.15 -1.52 0.00 0.00 175.55 173.40 3ig3 s LYS 1477N -3.84 0.57 -0.26 -3.49 -0.14 -1.26 -5.01 119.74 106.31 3ig3 s LYS 1477Ca 0.06 -0.62 -0.24 0.00 -1.36 0.00 0.00 55.97 53.82 3ig3 s LYS 1477Cb -0.03 -0.44 -0.01 0.00 -1.68 0.00 0.00 37.83 35.67 3ig3 s LYS 1477CO -0.03 0.10 0.79 0.99 -0.76 0.00 0.00 175.35 176.44 3ig3 s THR 1478N -0.98 4.85 0.09 2.17 2.01 -1.26 -1.47 115.64 121.05 3ig3 s THR 1478Ca -0.05 1.41 0.04 0.00 0.31 0.00 0.00 61.69 63.40 3ig3 s THR 1478Cb -0.08 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 3ig3 s THR 1478CO 0.00 -0.10 0.06 -0.76 -0.69 0.00 0.00 174.62 173.14 3ig3 s LEU 1479N 2.82 3.72 -0.21 4.42 1.02 0.13 -4.96 118.68 125.62 3ig3 s LEU 1479Ca 0.33 -0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.39 3ig3 s LEU 1479Cb -0.15 -2.41 -0.01 0.00 0.02 0.00 0.00 46.19 43.64 3ig3 s LEU 1479CO 0.09 0.17 -0.06 -0.89 0.02 0.00 0.00 176.35 175.68 3ig3 s THR 1480N -1.38 3.33 -0.01 5.49 2.01 -1.26 -0.51 115.64 123.31 3ig3 s THR 1480Ca 0.28 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.77 3ig3 s THR 1480Cb -0.12 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 3ig3 s THR 1480CO 0.21 0.44 0.04 -0.76 -0.69 0.00 0.00 174.62 173.86 3ig3 s LEU 1481N 1.31 3.72 -0.33 4.42 1.43 0.13 -0.05 118.68 129.30 3ig3 s LEU 1481Ca 0.04 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3ig3 s LEU 1481Cb -0.14 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.96 3ig3 s LEU 1481CO -0.02 0.28 0.12 -1.00 0.23 0.00 0.00 176.35 175.95 3ig3 s HIS 1482N -1.14 3.22 -0.21 0.29 3.76 -0.62 0.40 115.29 120.99 3ig3 s HIS 1482Ca 0.21 -1.18 -0.11 0.00 -0.15 0.00 0.00 55.06 53.83 3ig3 s HIS 1482Cb -0.12 -2.31 -0.05 0.00 1.11 0.00 0.00 32.58 31.22 3ig3 s HIS 1482CO 0.12 -0.66 0.17 0.00 -0.85 0.00 0.00 174.74 173.52 3ig3 s VAL 1484N 0.72 3.17 0.29 0.00 1.01 0.11 -1.03 120.40 124.66 3ig3 s VAL 1484Ca 0.09 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3ig3 s VAL 1484Cb -0.12 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 3ig3 s VAL 1484CO 0.02 -0.06 1.41 0.00 0.00 0.00 0.00 175.10 176.47 3ig3 n PRO 1486N 1.65 0.34 0.00 0.00 -0.02 -1.26 -3.21 135.00 132.50 3ig3 n PRO 1486Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3ig3 n PRO 1486Cb 0.41 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3ig3 n PRO 1486CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ig3 n GLU 1487N 0.72 0.00 0.22 -0.52 1.02 -1.26 -4.86 120.64 115.96 3ig3 n GLU 1487Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 3ig3 n GLU 1487Cb 0.15 0.00 0.56 0.00 -0.02 0.00 0.00 31.44 32.14 3ig3 n GLU 1487CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3ig3 h SER 1488N 0.00 0.00 -2.11 1.62 0.02 -1.99 -3.49 113.55 107.60 3ig3 h SER 1488Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 3ig3 h SER 1488Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 3ig3 h SER 1488CO 0.00 0.00 -0.41 -0.62 -1.14 0.00 0.00 176.83 174.66 3ig3 n GLU 1489N -2.77 -1.61 -0.78 3.45 -0.58 -1.20 -5.10 120.64 112.05 3ig3 n GLU 1489Ca 0.02 1.01 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 3ig3 n GLU 1489Cb 0.31 -5.50 0.00 0.00 -0.57 0.00 0.00 31.44 25.69 3ig3 n GLU 1489CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ig3 n ALA 1492N -0.39 -1.00 -3.44 0.62 0.00 -1.26 -4.86 120.51 110.18 3ig3 n ALA 1492Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 3ig3 n ALA 1492Cb 0.64 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 3ig3 n ALA 1492CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ig3 s GLN 1493N -2.76 0.99 0.09 0.00 -2.07 -1.26 -0.92 119.66 113.73 3ig3 s GLN 1493Ca 0.00 0.08 0.06 0.00 -1.82 0.00 0.00 55.36 53.68 3ig3 s GLN 1493Cb 0.00 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.35 3ig3 s GLN 1493CO 0.00 -0.32 -0.16 0.14 -1.32 0.00 0.00 175.29 173.63 3ig3 s VAL 1494N -1.48 1.30 0.10 3.63 -7.23 -0.20 -4.88 120.40 111.64 3ig3 s VAL 1494Ca -0.10 -1.44 -0.24 0.00 -1.81 0.00 0.00 61.98 58.39 3ig3 s VAL 1494Cb -0.01 -1.27 -0.07 0.00 0.56 0.00 0.00 36.38 35.59 3ig3 s VAL 1494CO 0.07 -0.22 0.74 -2.84 -0.31 0.00 0.00 175.10 172.54 3ig3 s PRO 1495N -1.94 4.49 -0.06 4.82 0.02 -1.26 0.42 135.00 141.48 3ig3 s PRO 1495Ca 0.02 1.05 0.01 0.00 0.02 0.00 0.00 61.00 62.10 3ig3 s PRO 1495Cb -0.09 -3.30 0.02 0.00 0.02 0.00 0.00 34.50 31.15 3ig3 s PRO 1495CO 0.03 0.47 -0.05 0.08 -0.33 0.00 0.00 177.00 177.19 3ig3 s VAL 1496N -0.70 0.65 -0.06 3.83 1.01 0.16 -4.95 120.40 120.35 3ig3 s VAL 1496Ca 0.36 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 3ig3 s VAL 1496Cb -0.21 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3ig3 s VAL 1496CO 0.24 0.26 0.96 -0.54 0.00 0.00 0.00 175.10 176.02 3ig3 s LYS 1497N 1.08 4.48 0.27 2.72 1.02 -1.26 -0.70 119.74 127.35 3ig3 s LYS 1497Ca -0.08 1.34 0.02 0.00 0.02 0.00 0.00 55.97 57.28 3ig3 s LYS 1497Cb -0.14 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 3ig3 s LYS 1497CO -0.01 -0.16 0.17 0.14 -0.92 0.00 0.00 175.35 174.57 3ig3 s VAL 1498N 1.46 0.15 0.05 3.17 -7.23 0.34 -4.98 120.40 113.36 3ig3 s VAL 1498Ca 0.49 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 3ig3 s VAL 1498Cb -0.19 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3ig3 s VAL 1498CO 0.22 0.00 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.22 3ig3 s LEU 1499N -3.29 3.32 0.50 1.32 1.43 -1.26 0.19 118.68 120.89 3ig3 s LEU 1499Ca 0.38 -0.17 0.20 0.00 -1.03 0.00 0.00 54.13 53.51 3ig3 s LEU 1499Cb 0.05 -1.99 1.28 0.00 0.03 0.00 0.00 46.19 45.56 3ig3 s LEU 1499CO 0.17 0.23 2.08 -0.55 0.23 0.00 0.00 176.35 178.51 3ig3 h ASN 1500N 3.96 0.00 1.31 2.29 -1.07 -1.63 -1.79 115.58 118.65 3ig3 h ASN 1500Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 3ig3 h ASN 1500Cb 1.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 3ig3 h ASN 1500CO 0.56 0.11 -0.01 0.00 0.07 0.00 0.00 177.43 178.16 3ig3 n ASP 1502N -2.01 3.88 -4.68 0.00 8.00 -0.67 -4.73 116.55 116.34 3ig3 n ASP 1502Ca 0.06 1.10 -0.31 0.00 0.71 0.00 0.00 54.79 56.35 3ig3 n ASP 1502Cb 0.40 -1.57 0.16 0.00 -0.02 0.00 0.00 41.12 40.09 3ig3 n ASP 1502CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ig3 s SER 1503N 0.85 3.01 0.30 -2.24 1.04 -1.26 -2.04 113.70 113.36 3ig3 s SER 1503Ca 0.70 2.11 -0.00 0.00 0.48 0.00 0.00 55.95 59.24 3ig3 s SER 1503Cb -0.51 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 63.54 3ig3 s SER 1503CO 0.40 -3.03 1.90 0.40 0.98 0.00 0.00 173.24 173.89 3ig3 h ILE 1504N -1.82 1.21 -0.46 -1.02 1.08 -1.78 -0.47 117.51 114.24 3ig3 h ILE 1504Ca -0.44 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.41 3ig3 h ILE 1504Cb 1.27 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3ig3 h ILE 1504CO 0.43 0.24 0.16 0.74 -0.69 0.00 0.00 178.15 179.04 3ig3 h THR 1505N 0.87 1.22 -0.94 -0.27 2.02 -1.91 0.85 112.91 114.75 3ig3 h THR 1505Ca 0.21 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3ig3 h THR 1505Cb 0.11 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 3ig3 h THR 1505CO -0.03 0.25 0.56 1.56 0.37 0.00 0.00 175.52 178.24 3ig3 h GLN 1506N 0.61 1.29 -0.24 6.66 4.20 -1.76 0.10 115.11 125.97 3ig3 h GLN 1506Ca 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3ig3 h GLN 1506Cb 0.23 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3ig3 h GLN 1506CO -0.01 0.90 0.11 0.00 -0.67 0.00 0.00 178.83 179.17 3ig3 h ALA 1507N 1.31 0.31 -0.77 3.87 0.00 -0.74 -0.40 119.26 122.85 3ig3 h ALA 1507Ca 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ig3 h ALA 1507Cb -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3ig3 h ALA 1507CO -0.06 -0.12 0.51 0.87 0.00 0.00 0.00 179.25 180.45 3ig3 h LYS 1508N 0.26 1.01 -0.46 0.00 1.57 -0.29 -0.06 116.57 118.61 3ig3 h LYS 1508Ca 0.08 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3ig3 h LYS 1508Cb 0.13 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3ig3 h LYS 1508CO -0.01 0.67 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.02 3ig3 h ASP 1509N 1.05 0.79 -0.60 0.86 3.32 -0.59 0.52 116.42 121.77 3ig3 h ASP 1509Ca 0.28 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3ig3 h ASP 1509Cb -0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3ig3 h ASP 1509CO -0.06 0.91 0.09 0.11 -1.72 0.00 0.00 179.24 178.57 3ig3 h LYS 1510N 0.73 0.99 -0.15 3.56 1.57 -0.60 -1.54 116.57 121.15 3ig3 h LYS 1510Ca 0.13 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3ig3 h LYS 1510Cb 0.57 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3ig3 h LYS 1510CO 0.03 0.94 0.07 -0.07 -0.57 0.00 0.00 179.45 179.85 3ig3 h LEU 1511N 0.90 0.20 -0.45 2.94 3.38 -0.61 -2.76 115.31 118.90 3ig3 h LEU 1511Ca 0.18 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3ig3 h LEU 1511Cb 0.43 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3ig3 h LEU 1511CO 0.01 0.27 0.16 -0.07 0.09 0.00 0.00 178.44 178.90 3ig3 h LEU 1512N 0.11 0.17 -1.02 1.67 3.38 -0.82 0.17 115.31 118.97 3ig3 h LEU 1512Ca 0.05 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3ig3 h LEU 1512Cb 0.13 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3ig3 h LEU 1512CO -0.01 0.13 0.64 0.44 0.09 0.00 0.00 178.44 179.73 3ig3 h ASP 1513N 0.33 0.98 0.00 -0.43 3.32 -1.10 0.40 116.42 119.91 3ig3 h ASP 1513Ca 0.21 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3ig3 h ASP 1513Cb 0.20 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ig3 h ASP 1513CO -0.21 0.58 -0.15 0.74 -1.72 0.00 0.00 179.24 178.48 3ig3 h THR 1514N 1.08 1.28 -0.06 0.35 2.02 -1.17 -2.69 112.91 113.73 3ig3 h THR 1514Ca 0.46 -2.01 0.02 0.00 0.77 0.00 0.00 66.41 65.65 3ig3 h THR 1514Cb 0.32 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 3ig3 h THR 1514CO -0.21 0.43 0.05 0.58 0.37 0.00 0.00 175.52 176.74 3ig3 h VAL 1515N -1.00 0.88 -0.21 3.16 2.07 -0.57 -1.90 116.25 118.68 3ig3 h VAL 1515Ca -0.04 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3ig3 h VAL 1515Cb 0.81 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3ig3 h VAL 1515CO -0.02 0.00 -0.21 -1.22 0.02 0.00 0.00 177.57 176.14 3ig3 n TYR 1516N -4.38 0.65 -0.13 1.57 4.01 0.12 -4.83 117.16 114.17 3ig3 n TYR 1516Ca -0.02 -1.49 0.25 0.00 -0.16 0.00 0.00 57.90 56.48 3ig3 n TYR 1516Cb 0.15 -0.38 0.69 0.00 -0.31 0.00 0.00 39.34 39.49 3ig3 n TYR 1516CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3ig3 h LYS 1517N 0.98 0.04 0.04 -0.72 2.10 -0.98 -0.28 116.57 117.74 3ig3 h LYS 1517Ca 0.12 -0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.54 3ig3 h LYS 1517Cb 1.39 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.71 3ig3 h LYS 1517CO 0.23 0.02 -1.01 0.78 -2.00 0.00 0.00 179.45 177.47 3ig3 h GLY 1518N 0.04 0.32 -4.07 0.07 0.00 -1.87 -3.46 103.07 94.10 3ig3 h GLY 1518Ca 0.37 -0.64 -0.51 0.00 0.00 0.00 0.00 47.33 46.55 3ig3 h GLY 1518CO -0.02 0.56 0.29 -0.42 0.00 0.00 0.00 176.54 176.95 3ig3 s ILE 1519N -3.05 4.37 0.62 2.60 1.01 -0.12 -4.77 121.20 121.86 3ig3 s ILE 1519Ca -0.04 1.93 -0.19 0.00 0.00 0.00 0.00 60.65 62.36 3ig3 s ILE 1519Cb 0.09 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 3ig3 s ILE 1519CO 0.86 0.43 1.19 -2.65 0.00 0.00 0.00 174.94 174.76 3ig3 n PRO 1520N 2.12 1.10 0.01 2.79 -0.02 -1.26 -4.89 135.00 134.85 3ig3 n PRO 1520Ca -0.01 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 3ig3 n PRO 1520Cb 0.49 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3ig3 n PRO 1520CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ig3 h TYR 1521N 0.61 -0.67 0.00 6.00 3.20 -1.92 -1.81 116.97 122.38 3ig3 h TYR 1521Ca -0.50 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3ig3 h TYR 1521Cb 1.34 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.93 3ig3 h TYR 1521CO 0.40 -0.33 0.00 -1.13 -1.64 0.00 0.00 178.16 175.46 3ig3 n SER 1522N -5.37 0.35 -0.06 -2.11 3.41 -1.26 -0.94 113.62 107.64 3ig3 n SER 1522Ca -0.03 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 3ig3 n SER 1522Cb 0.29 -0.70 0.15 0.00 -0.26 0.00 0.00 64.21 63.68 3ig3 n SER 1522CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ig3 n GLN 1523N -1.96 0.17 -2.77 4.33 6.02 -0.68 -4.93 117.38 117.56 3ig3 n GLN 1523Ca -0.00 -0.12 -0.28 0.00 -0.01 0.00 0.00 57.00 56.59 3ig3 n GLN 1523Cb 0.04 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 3ig3 n GLN 1523CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ig3 s ARG 1524N -2.91 3.62 0.76 -1.09 0.52 -0.11 -5.02 118.95 114.72 3ig3 s ARG 1524Ca 0.12 0.26 -0.13 0.00 -0.52 0.00 0.00 55.73 55.46 3ig3 s ARG 1524Cb 0.17 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 33.30 3ig3 s ARG 1524CO 0.72 -0.12 1.15 -2.14 0.02 0.00 0.00 175.30 174.93 3ig3 s PRO 1525N -4.37 2.08 0.14 3.54 0.02 -1.26 -5.02 135.00 130.12 3ig3 s PRO 1525Ca 0.48 1.51 -0.17 0.00 0.02 0.00 0.00 61.00 62.84 3ig3 s PRO 1525Cb -0.10 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 3ig3 s PRO 1525CO 0.39 -1.83 0.58 0.15 -0.33 0.00 0.00 177.00 175.96 3ig3 s LYS 1526N -4.32 4.08 0.28 5.54 -0.14 -1.26 -4.97 119.74 118.96 3ig3 s LYS 1526Ca 0.68 0.62 0.03 0.00 -1.36 0.00 0.00 55.97 55.94 3ig3 s LYS 1526Cb -0.23 -3.01 0.65 0.00 -1.68 0.00 0.00 37.83 33.55 3ig3 s LYS 1526CO 0.49 0.51 1.76 0.00 -0.76 0.00 0.00 175.35 177.36 3ig3 h ALA 1527N 3.82 1.46 0.00 5.17 0.00 -1.92 0.97 119.26 128.77 3ig3 h ALA 1527Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ig3 h ALA 1527Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ig3 h ALA 1527CO 0.65 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 178.94 3ig3 n GLU 1528N -4.85 0.09 -0.16 0.00 0.00 -1.26 -1.73 120.64 112.73 3ig3 n GLU 1528Ca 0.20 0.13 0.11 0.00 0.00 0.00 0.00 57.16 57.60 3ig3 n GLU 1528Cb 0.52 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.64 3ig3 n GLU 1528CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ig3 n ASP 1529N -1.44 3.23 -4.47 -1.84 8.00 0.31 -4.94 116.55 115.41 3ig3 n ASP 1529Ca 0.06 -1.94 -0.26 0.00 0.71 0.00 0.00 54.79 53.37 3ig3 n ASP 1529Cb 0.22 -0.21 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 3ig3 n ASP 1529CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3ig3 s MET 1530N -1.40 1.69 -0.12 -1.24 -1.94 -0.71 -2.78 119.30 112.80 3ig3 s MET 1530Ca 0.34 -1.50 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 3ig3 s MET 1530Cb 0.20 -1.91 -0.01 0.00 2.01 0.00 0.00 34.83 35.11 3ig3 s MET 1530CO 0.28 0.40 -0.14 -0.51 -0.01 0.00 0.00 175.02 175.04 3ig3 s ASP 1531N -2.87 3.96 -0.25 3.03 1.01 0.26 -4.69 116.67 117.12 3ig3 s ASP 1531Ca 0.23 -0.33 -0.29 0.00 0.71 0.00 0.00 52.55 52.87 3ig3 s ASP 1531Cb -0.08 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.32 3ig3 s ASP 1531CO 0.12 0.18 1.14 -0.22 0.21 0.00 0.00 175.17 176.60 3ig3 s LEU 1532N 0.26 4.05 -0.12 1.23 2.96 -1.25 -1.81 118.68 124.00 3ig3 s LEU 1532Ca -0.10 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.16 3ig3 s LEU 1532Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 3ig3 s LEU 1532CO 0.06 -0.80 -0.10 -1.83 -1.32 0.00 0.00 176.35 172.36 3ig3 s GLU 1533N 3.52 3.28 -0.42 1.98 -1.05 -0.33 0.32 118.70 126.00 3ig3 s GLU 1533Ca 0.49 -0.62 -0.17 0.00 -0.15 0.00 0.00 54.97 54.52 3ig3 s GLU 1533Cb -0.16 -2.68 0.02 0.00 -0.44 0.00 0.00 34.13 30.87 3ig3 s GLU 1533CO 0.13 0.33 0.41 -0.46 0.95 0.00 0.00 175.26 176.62 3ig3 s TRP 1534N 0.06 3.18 -0.94 4.83 -0.00 0.27 -1.52 118.94 124.82 3ig3 s TRP 1534Ca -0.03 -0.40 -0.17 0.00 -0.00 0.00 0.00 56.10 55.50 3ig3 s TRP 1534Cb -0.14 -2.84 0.16 0.00 -0.00 0.00 0.00 33.47 30.65 3ig3 s TRP 1534CO 0.04 -0.68 1.07 1.03 -0.00 0.00 0.00 176.95 178.41 3ig3 s ARG 1535N 2.06 3.67 -0.26 5.86 0.52 -0.74 -1.93 118.95 128.12 3ig3 s ARG 1535Ca 0.11 -2.07 0.10 0.00 -0.52 0.00 0.00 55.73 53.36 3ig3 s ARG 1535Cb -0.17 -4.80 0.71 0.00 0.52 0.00 0.00 34.95 31.21 3ig3 s ARG 1535CO 0.13 -1.63 1.69 0.00 0.02 0.00 0.00 175.30 175.50 3ig3 n GLN 1536N 5.69 3.95 0.00 3.54 10.64 -0.86 -4.21 117.38 136.13 3ig3 n GLN 1536Ca 0.23 -2.83 0.00 0.00 -1.83 0.00 0.00 57.00 52.56 3ig3 n GLN 1536Cb 0.48 -2.17 0.00 0.00 -0.86 0.00 0.00 30.24 27.69 3ig3 n GLN 1536CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ig3 n GLY 1537N 0.18 1.55 0.00 2.61 0.00 -0.77 -4.17 105.19 104.58 3ig3 n GLY 1537Ca 0.33 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.76 3ig3 n GLY 1537CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ig3 n ARG 1538N 0.00 0.09 -0.23 1.61 0.63 -1.26 -4.73 116.66 112.76 3ig3 n ARG 1538Ca 0.00 0.16 -0.10 0.00 -0.92 0.00 0.00 57.85 56.99 3ig3 n ARG 1538Cb 0.00 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 3ig3 n ARG 1538CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 3ig3 h MET 1539N 0.00 -0.22 -4.24 -0.14 0.00 -2.00 -3.41 114.93 104.92 3ig3 h MET 1539Ca 0.00 0.01 -0.46 0.00 0.00 0.00 0.00 59.70 59.25 3ig3 h MET 1539Cb 0.03 0.05 -0.34 0.00 0.00 0.00 0.00 31.60 31.33 3ig3 h MET 1539CO 0.00 -0.15 -0.79 0.00 0.00 0.00 0.00 176.91 175.97 3ig3 s ALA 1540N -5.73 0.97 -0.33 6.32 0.00 -1.26 -5.09 121.76 116.64 3ig3 s ALA 1540Ca -0.14 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.60 3ig3 s ALA 1540Cb 0.12 -0.54 0.09 0.00 0.00 0.00 0.00 23.12 22.79 3ig3 s ALA 1540CO 0.64 -0.02 0.04 1.03 0.00 0.00 0.00 175.76 177.46 3ig3 s ARG 1541N 0.93 1.72 -0.10 0.00 3.00 -1.26 -1.85 118.95 121.38 3ig3 s ARG 1541Ca -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 55.73 53.87 3ig3 s ARG 1541Cb -0.15 -3.21 -0.02 0.00 0.00 0.00 0.00 34.95 31.57 3ig3 s ARG 1541CO 0.01 -0.88 -0.09 0.96 0.00 0.00 0.00 175.30 175.29 3ig3 s ILE 1542N 0.98 3.43 -0.08 1.52 -5.25 -0.81 -4.87 121.20 116.11 3ig3 s ILE 1542Ca 0.07 -0.55 -0.12 0.00 -0.99 0.00 0.00 60.65 59.06 3ig3 s ILE 1542Cb -0.20 -2.42 -0.05 0.00 2.95 0.00 0.00 42.46 42.74 3ig3 s ILE 1542CO -0.07 0.55 0.28 0.27 -1.79 0.00 0.00 174.94 174.19 3ig3 s ILE 1543N -0.21 5.27 -0.03 8.37 -5.25 -1.26 0.96 121.20 129.05 3ig3 s ILE 1543Ca 0.02 0.54 0.01 0.00 -0.99 0.00 0.00 60.65 60.23 3ig3 s ILE 1543Cb -0.13 -3.58 -0.03 0.00 2.95 0.00 0.00 42.46 41.67 3ig3 s ILE 1543CO 0.03 0.55 -0.03 -0.76 -1.79 0.00 0.00 174.94 172.94 3ig3 s LEU 1544N -0.72 3.36 0.15 0.37 1.43 0.15 -4.95 118.68 118.47 3ig3 s LEU 1544Ca 0.19 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3ig3 s LEU 1544Cb -0.14 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3ig3 s LEU 1544CO 0.08 0.31 0.11 -1.10 0.23 0.00 0.00 176.35 175.98 3ig3 s GLN 1545N -1.25 1.02 0.33 1.70 -0.21 -1.26 -3.83 119.66 116.16 3ig3 s GLN 1545Ca 0.16 -1.44 0.01 0.00 0.02 0.00 0.00 55.36 54.12 3ig3 s GLN 1545Cb -0.11 0.27 0.57 0.00 1.00 0.00 0.00 33.01 34.74 3ig3 s GLN 1545CO 0.06 -0.32 1.99 -0.44 -2.12 0.00 0.00 175.29 174.46 3ig3 h ASP 1546N 2.76 0.82 -3.36 5.90 3.32 -1.93 -3.42 116.42 120.51 3ig3 h ASP 1546Ca -0.35 -0.02 -0.36 0.00 0.02 0.00 0.00 57.03 56.33 3ig3 h ASP 1546Cb 1.21 -0.20 -0.38 0.00 0.22 0.00 0.00 39.33 40.19 3ig3 h ASP 1546CO 0.56 0.58 -0.74 -0.70 -1.72 0.00 0.00 179.24 177.22 3ig3 s GLU 1547N -5.81 -0.03 0.00 3.56 2.12 -1.26 -0.77 118.70 116.51 3ig3 s GLU 1547Ca -0.11 0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.54 3ig3 s GLU 1547Cb 0.18 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.10 3ig3 s GLU 1547CO 0.78 -0.29 0.00 -0.40 -0.54 0.00 0.00 175.26 174.81 3ig3 n ASP 1548N 5.02 0.00 0.30 -1.70 5.68 -1.26 -5.01 116.55 119.58 3ig3 n ASP 1548Ca -0.09 -0.44 0.18 0.00 -0.50 0.00 0.00 54.79 53.94 3ig3 n ASP 1548Cb 0.50 0.00 0.97 0.00 -1.14 0.00 0.00 41.12 41.45 3ig3 n ASP 1548CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3ig3 h ILE 1549N 0.44 0.29 -0.00 2.12 2.10 -2.00 -2.29 117.51 118.16 3ig3 h ILE 1549Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.77 3ig3 h ILE 1549Cb 0.00 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 3ig3 h ILE 1549CO 0.00 0.03 -0.24 0.35 -1.08 0.00 0.00 178.15 177.21 3ig3 n THR 1550N -3.44 0.00 -1.78 2.19 -2.24 -1.26 -4.93 114.28 102.82 3ig3 n THR 1550Ca -0.02 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3ig3 n THR 1550Cb 0.13 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3ig3 n THR 1550CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ig3 n THR 1551N -1.01 2.17 -2.84 4.28 -2.24 -0.86 -4.91 114.28 108.85 3ig3 n THR 1551Ca 0.11 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 3ig3 n THR 1551Cb 0.32 -1.96 -0.04 0.00 -2.10 0.00 0.00 70.33 66.55 3ig3 n THR 1551CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ig3 s LYS 1552N -2.18 4.43 -0.10 -0.78 1.02 -1.26 -4.97 119.74 115.89 3ig3 s LYS 1552Ca 0.55 1.16 0.03 0.00 0.02 0.00 0.00 55.97 57.73 3ig3 s LYS 1552Cb -0.47 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.34 3ig3 s LYS 1552CO 0.63 -0.15 -0.19 0.42 -0.92 0.00 0.00 175.35 175.13 3ig3 s ILE 1553N 1.48 1.72 -0.04 2.17 1.01 -1.26 -1.69 121.20 124.60 3ig3 s ILE 1553Ca 0.44 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3ig3 s ILE 1553Cb -0.18 -1.52 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3ig3 s ILE 1553CO 0.19 0.48 0.05 -0.70 0.00 0.00 0.00 174.94 174.97 3ig3 s GLU 1554N 0.64 -0.01 -1.17 2.79 2.12 0.26 -4.93 118.70 118.40 3ig3 s GLU 1554Ca -0.13 0.33 -0.33 0.00 0.36 0.00 0.00 54.97 55.20 3ig3 s GLU 1554Cb -0.16 -0.53 0.05 0.00 0.26 0.00 0.00 34.13 33.74 3ig3 s GLU 1554CO 0.04 -0.31 0.66 0.00 -0.54 0.00 0.00 175.26 175.11 3ig3 n ASP 1556N -2.10 -0.59 -4.82 0.00 10.43 -1.26 -4.99 116.55 113.22 3ig3 n ASP 1556Ca -0.12 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 56.87 3ig3 n ASP 1556Cb 0.56 -0.93 -0.07 0.00 1.84 0.00 0.00 41.12 42.52 3ig3 n ASP 1556CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3ig3 s TRP 1557N -2.80 3.54 -0.15 1.24 0.52 0.39 -0.41 118.94 121.28 3ig3 s TRP 1557Ca 0.00 0.51 0.01 0.00 0.02 0.00 0.00 56.10 56.64 3ig3 s TRP 1557Cb 0.00 -2.06 0.02 0.00 -1.15 0.00 0.00 33.47 30.28 3ig3 s TRP 1557CO 0.00 0.56 -0.15 0.21 0.02 0.00 0.00 176.95 177.59 3ig3 s LYS 1558N -0.51 2.35 -0.06 4.98 2.20 0.18 -0.57 119.74 128.31 3ig3 s LYS 1558Ca 0.14 -0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 3ig3 s LYS 1558Cb -0.12 -2.12 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 3ig3 s LYS 1558CO 0.03 -0.21 0.43 0.50 -0.36 0.00 0.00 175.35 175.74 3ig3 s ARG 1559N 1.41 4.13 0.19 4.03 3.52 -0.68 -1.44 118.95 130.11 3ig3 s ARG 1559Ca 0.03 0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 55.74 3ig3 s ARG 1559Cb -0.13 -3.32 -0.10 0.00 -1.56 0.00 0.00 34.95 29.84 3ig3 s ARG 1559CO -0.10 0.44 1.47 0.08 -0.81 0.00 0.00 175.30 176.39 3ig3 s VAL 1560N -0.28 2.78 0.15 7.11 1.01 0.31 -4.35 120.40 127.13 3ig3 s VAL 1560Ca 0.24 0.60 -0.31 0.00 0.00 0.00 0.00 61.98 62.51 3ig3 s VAL 1560Cb -0.16 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 3ig3 s VAL 1560CO 0.12 0.07 1.53 0.20 0.00 0.00 0.00 175.10 177.01 3ig3 s ASN 1561N 0.77 6.64 0.53 3.32 0.01 0.05 -4.86 114.94 121.40 3ig3 s ASN 1561Ca 0.64 2.55 0.07 0.00 -0.71 0.00 0.00 52.86 55.41 3ig3 s ASN 1561Cb -0.41 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 38.70 3ig3 s ASN 1561CO 0.36 -0.79 0.52 -0.94 -1.51 0.00 0.00 177.10 174.75 3ig3 s SER 1562N 1.18 4.87 0.34 -1.22 1.04 -1.26 -2.40 113.70 116.23 3ig3 s SER 1562Ca 0.69 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 56.14 3ig3 s SER 1562Cb -0.42 0.19 0.61 0.00 0.10 0.00 0.00 66.02 66.50 3ig3 s SER 1562CO 0.31 -1.10 1.86 -0.07 0.98 0.00 0.00 173.24 175.23 3ig3 h LEU 1563N 0.62 0.45 -0.91 2.42 3.38 -1.34 -2.58 115.31 117.35 3ig3 h LEU 1563Ca -0.35 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 3ig3 h LEU 1563Cb 1.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3ig3 h LEU 1563CO 0.52 0.55 -0.51 0.00 0.09 0.00 0.00 178.44 179.09 3ig3 h ALA 1564N 1.50 1.06 -0.83 1.53 0.00 -1.46 -1.55 119.26 119.52 3ig3 h ALA 1564Ca 0.10 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3ig3 h ALA 1564Cb 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3ig3 h ALA 1564CO 0.02 0.63 0.54 1.25 0.00 0.00 0.00 179.25 181.69 3ig3 h HIS 1565N 0.00 0.96 -0.20 0.00 -0.00 -1.73 -0.68 115.15 113.49 3ig3 h HIS 1565Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3ig3 h HIS 1565Cb 0.96 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 3ig3 h HIS 1565CO 0.00 0.53 0.00 0.66 -0.00 0.00 0.00 177.93 179.12 3ig3 n TYR 1566N -4.47 0.26 -2.30 5.26 4.01 -0.99 -4.93 117.16 114.00 3ig3 n TYR 1566Ca 0.12 -0.13 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 3ig3 n TYR 1566Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 3ig3 n TYR 1566CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ig3 n GLN 1567N 0.62 -1.63 -1.69 -0.72 1.13 -0.26 -4.90 117.38 109.92 3ig3 n GLN 1567Ca 0.17 1.03 -0.44 0.00 -1.94 0.00 0.00 57.00 55.82 3ig3 n GLN 1567Cb 0.40 -5.65 -0.03 0.00 0.11 0.00 0.00 30.24 25.07 3ig3 n GLN 1567CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3ig3 n VAL 1568N -3.83 0.44 -4.01 5.09 0.31 -0.62 -4.96 118.33 110.74 3ig3 n VAL 1568Ca -0.24 -0.11 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 3ig3 n VAL 1568Cb 0.69 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 3ig3 n VAL 1568CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3ig3 s THR 1569N 0.54 4.81 0.25 2.52 -4.23 -1.26 -4.81 115.64 113.45 3ig3 s THR 1569Ca 0.73 -0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 60.31 3ig3 s THR 1569Cb -0.60 -3.31 -0.14 0.00 1.34 0.00 0.00 72.50 69.78 3ig3 s THR 1569CO 0.42 0.15 1.27 -0.67 -0.54 0.00 0.00 174.62 175.25 3ig3 n ASP 1570N 0.48 2.24 0.00 3.99 2.03 -1.26 -1.55 116.55 122.48 3ig3 n ASP 1570Ca -0.08 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.39 3ig3 n ASP 1570Cb 0.51 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 3ig3 n ASP 1570CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ig3 n GLY 1571N 1.71 1.13 3.67 0.27 0.00 0.93 -4.95 105.19 107.96 3ig3 n GLY 1571Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3ig3 n GLY 1571CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ig3 n SER 1572N 0.00 2.12 -4.80 1.61 7.64 -0.60 -4.58 113.62 115.02 3ig3 n SER 1572Ca 0.00 1.07 -0.37 0.00 1.01 0.00 0.00 58.87 60.57 3ig3 n SER 1572Cb 0.00 -1.46 -0.06 0.00 -1.01 0.00 0.00 64.21 61.68 3ig3 n SER 1572CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ig3 s LEU 1573N -1.50 4.43 0.03 -3.43 2.96 -1.26 -1.58 118.68 118.33 3ig3 s LEU 1573Ca 0.63 1.50 -0.14 0.00 -0.22 0.00 0.00 54.13 55.89 3ig3 s LEU 1573Cb -0.51 -3.47 0.02 0.00 0.50 0.00 0.00 46.19 42.73 3ig3 s LEU 1573CO 0.57 0.10 0.32 -0.69 -1.32 0.00 0.00 176.35 175.32 3ig3 s VAL 1574N -1.38 0.07 -0.01 1.68 1.01 0.21 -1.79 120.40 120.19 3ig3 s VAL 1574Ca 0.40 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3ig3 s VAL 1574Cb -0.19 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3ig3 s VAL 1574CO 0.23 -0.34 0.11 0.00 0.00 0.00 0.00 175.10 175.10 3ig3 s ALA 1575N -2.25 -0.25 -0.27 5.51 0.00 -0.58 0.04 121.76 123.96 3ig3 s ALA 1575Ca -0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 3ig3 s ALA 1575Cb -0.02 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3ig3 s ALA 1575CO -0.01 -0.16 0.25 -0.51 0.00 0.00 0.00 175.76 175.32 3ig3 s LEU 1576N -1.01 4.03 -0.03 0.00 1.43 -1.26 -1.18 118.68 120.66 3ig3 s LEU 1576Ca -0.11 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3ig3 s LEU 1576Cb -0.06 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 3ig3 s LEU 1576CO 0.01 -0.09 -0.15 0.68 0.23 0.00 0.00 176.35 177.03 3ig3 s VAL 1577N 1.83 1.19 0.22 -1.59 -7.23 -0.75 -4.95 120.40 109.13 3ig3 s VAL 1577Ca 0.10 -0.61 -0.31 0.00 -1.81 0.00 0.00 61.98 59.34 3ig3 s VAL 1577Cb -0.16 -1.02 -0.15 0.00 0.56 0.00 0.00 36.38 35.62 3ig3 s VAL 1577CO 0.10 0.35 1.15 -2.65 -0.31 0.00 0.00 175.10 173.74 3ig3 n PRO 1578N 2.99 1.36 0.00 4.82 -0.02 -1.26 0.89 135.00 143.78 3ig3 n PRO 1578Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3ig3 n PRO 1578Cb 0.54 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3ig3 n PRO 1578CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ig3 n LYS 1579N 1.47 2.02 0.00 -0.52 5.02 -1.12 -4.64 118.16 120.39 3ig3 n LYS 1579Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3ig3 n LYS 1579Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 3ig3 n LYS 1579CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ig3 n GLY 1626N 0.00 0.00 3.59 0.72 0.00 -1.26 -5.04 105.19 103.20 3ig3 n GLY 1626Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ig3 n GLY 1626CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ig3 s THR 1627N 0.00 3.68 -0.18 2.61 -4.23 -1.26 -4.93 115.64 111.33 3ig3 s THR 1627Ca 0.00 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.81 3ig3 s THR 1627Cb 0.00 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 3ig3 s THR 1627CO 0.00 0.47 -0.02 -0.54 -0.54 0.00 0.00 174.62 173.99 3ig3 s LYS 1628N -1.18 3.63 0.09 3.99 1.02 0.46 -4.97 119.74 122.78 3ig3 s LYS 1628Ca 0.15 -0.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 3ig3 s LYS 1628Cb -0.11 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 3ig3 s LYS 1628CO 0.05 0.13 0.31 -0.48 -0.92 0.00 0.00 175.35 174.45 3ig3 s LEU 1629N 0.66 4.31 0.18 3.17 0.05 -1.26 0.50 118.68 126.29 3ig3 s LEU 1629Ca -0.02 0.50 -0.11 0.00 0.05 0.00 0.00 54.13 54.56 3ig3 s LEU 1629Cb -0.14 -3.08 -0.00 0.00 -2.05 0.00 0.00 46.19 40.91 3ig3 s LEU 1629CO 0.02 0.13 0.34 -1.66 -0.55 0.00 0.00 176.35 174.63 3ig3 s TRP 1630N -1.54 0.29 0.00 3.48 1.48 -0.52 -4.90 118.94 117.22 3ig3 s TRP 1630Ca 0.37 -0.65 0.00 0.00 -1.06 0.00 0.00 56.10 54.75 3ig3 s TRP 1630Cb -0.13 0.05 0.00 0.00 -1.16 0.00 0.00 33.47 32.23 3ig3 s TRP 1630CO 0.24 -0.78 0.00 1.58 -4.06 0.00 0.00 176.95 173.93 3ig3 n HIS 1631N -0.25 0.00 -0.06 1.66 -0.00 -1.26 -0.53 115.22 114.78 3ig3 n HIS 1631Ca -0.08 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.03 3ig3 n HIS 1631Cb 0.63 0.14 -0.07 0.00 -0.12 0.00 0.00 29.99 30.57 3ig3 n HIS 1631CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3ig3 n LEU 1632N -2.07 1.54 -4.41 0.27 4.77 -1.26 -4.80 117.00 111.04 3ig3 n LEU 1632Ca 0.00 -0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.61 3ig3 n LEU 1632Cb 0.00 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 3ig3 n LEU 1632CO 0.00 0.49 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.47 3ig3 s VAL 1633N -2.25 3.49 -0.24 4.08 1.01 -1.26 -5.07 120.40 120.15 3ig3 s VAL 1633Ca -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3ig3 s VAL 1633Cb 0.04 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.93 3ig3 s VAL 1633CO 0.36 0.48 -0.10 -0.60 0.00 0.00 0.00 175.10 175.24 3ig3 s ARG 1634N 0.68 2.61 -0.37 2.72 3.52 -1.26 -4.85 118.95 121.99 3ig3 s ARG 1634Ca -0.04 -1.11 -0.07 0.00 -0.13 0.00 0.00 55.73 54.38 3ig3 s ARG 1634Cb -0.15 -2.89 0.06 0.00 -1.56 0.00 0.00 34.95 30.41 3ig3 s ARG 1634CO 0.02 -0.45 0.16 -0.80 -0.81 0.00 0.00 175.30 173.42 3ig3 s ASN 1635N 1.23 5.39 0.52 -2.12 0.01 -1.26 -5.19 114.94 113.52 3ig3 s ASN 1635Ca -0.03 -1.35 0.29 0.00 -0.71 0.00 0.00 52.86 51.07 3ig3 s ASN 1635Cb -0.17 -1.89 1.36 0.00 0.41 0.00 0.00 41.25 40.95 3ig3 s ASN 1635CO -0.06 -0.41 2.01 0.45 -1.51 0.00 0.00 177.10 177.58 3ig3 h HIS 1636N 8.25 0.00 -3.71 2.20 3.86 -2.06 -3.54 115.15 120.15 3ig3 h HIS 1636Ca -0.22 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.91 3ig3 h HIS 1636Cb 1.08 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.41 3ig3 h HIS 1636CO 0.60 0.12 -0.31 0.54 0.86 0.00 0.00 177.93 179.73 3ig3 s VAL 1651N -3.92 0.13 0.86 2.45 0.11 -1.26 -5.29 120.40 113.48 3ig3 s VAL 1651Ca -0.01 -1.05 -0.12 0.00 -2.93 0.00 0.00 61.98 57.88 3ig3 s VAL 1651Cb 0.11 -1.28 0.11 0.00 -1.53 0.00 0.00 36.38 33.79 3ig3 s VAL 1651CO 0.58 -0.58 1.17 -0.94 -3.33 0.00 0.00 175.10 172.00 3ig3 s SER 1652N -2.81 3.31 0.23 3.54 1.04 -1.26 -4.73 113.70 113.03 3ig3 s SER 1652Ca 0.04 2.25 -0.06 0.00 0.48 0.00 0.00 55.95 58.66 3ig3 s SER 1652Cb 0.04 -2.57 0.33 0.00 0.10 0.00 0.00 66.02 63.92 3ig3 s SER 1652CO -0.11 -2.85 1.82 -0.33 0.98 0.00 0.00 173.24 172.76 3ig3 h GLU 1653N -1.38 0.80 -0.92 4.02 5.08 -2.05 -1.64 114.58 118.50 3ig3 h GLU 1653Ca -0.45 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3ig3 h GLU 1653Cb 1.28 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 3ig3 h GLU 1653CO 0.44 0.53 0.58 0.97 -1.00 0.00 0.00 179.01 180.53 3ig3 h ILE 1654N 0.83 1.05 0.11 3.13 2.10 -2.00 -0.18 117.51 122.55 3ig3 h ILE 1654Ca 0.36 -0.36 -0.27 0.00 1.08 0.00 0.00 64.86 65.67 3ig3 h ILE 1654Cb 0.25 -0.08 0.01 0.00 -1.09 0.00 0.00 36.82 35.91 3ig3 h ILE 1654CO -0.21 0.19 -1.20 1.88 -1.08 0.00 0.00 178.15 177.74 3ig3 h TYR 1655N 1.04 0.61 -0.90 2.19 0.99 -1.84 -2.78 116.97 116.29 3ig3 h TYR 1655Ca 0.40 -0.41 0.02 0.00 2.00 0.00 0.00 58.73 60.74 3ig3 h TYR 1655Cb 0.18 -0.04 -0.05 0.00 1.00 0.00 0.00 36.73 37.83 3ig3 h TYR 1655CO -0.02 1.29 0.59 1.25 -0.00 0.00 0.00 178.16 181.27 3ig3 h LEU 1656N 0.13 1.01 -1.03 3.88 7.12 -0.76 -1.45 115.31 124.21 3ig3 h LEU 1656Ca -0.14 -0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.75 3ig3 h LEU 1656Cb 1.90 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.77 3ig3 h LEU 1656CO 0.20 0.71 -0.40 0.71 -0.13 0.00 0.00 178.44 179.54 3ig3 h THR 1657N 1.18 1.30 -0.21 1.05 1.35 -1.07 -1.70 112.91 114.81 3ig3 h THR 1657Ca 0.34 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.71 3ig3 h THR 1657Cb -0.08 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 3ig3 h THR 1657CO -0.09 0.43 0.03 0.03 -0.25 0.00 0.00 175.52 175.67 3ig3 h ARG 1658N 0.14 0.36 -0.78 4.72 3.08 -1.09 -0.47 114.38 120.34 3ig3 h ARG 1658Ca 0.01 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.03 3ig3 h ARG 1658Cb 0.77 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 3ig3 h ARG 1658CO 0.06 0.51 0.45 -0.07 -1.07 0.00 0.00 179.97 179.86 3ig3 h LEU 1659N 0.15 0.69 -0.99 3.04 3.38 -1.16 -2.15 115.31 118.27 3ig3 h LEU 1659Ca 0.06 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3ig3 h LEU 1659Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ig3 h LEU 1659CO 0.01 0.43 -0.07 -0.07 0.09 0.00 0.00 178.44 178.82 3ig3 h LEU 1660N 0.82 0.63 -0.55 1.67 3.38 -1.07 0.16 115.31 120.34 3ig3 h LEU 1660Ca 0.35 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3ig3 h LEU 1660Cb 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ig3 h LEU 1660CO -0.20 0.74 0.08 0.00 0.09 0.00 0.00 178.44 179.16 3ig3 h ALA 1661N 1.33 0.74 -0.02 1.53 0.00 -0.56 0.14 119.26 122.40 3ig3 h ALA 1661Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ig3 h ALA 1661Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ig3 h ALA 1661CO 0.03 0.49 0.00 1.15 0.00 0.00 0.00 179.25 180.92 3ig3 h THR 1662N 0.81 1.24 -0.40 0.00 2.02 -1.02 -0.81 112.91 114.76 3ig3 h THR 1662Ca 0.17 -0.72 0.08 0.00 0.77 0.00 0.00 66.41 66.70 3ig3 h THR 1662Cb 0.42 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.45 3ig3 h THR 1662CO 0.01 0.19 -0.07 0.50 0.37 0.00 0.00 175.52 176.52 3ig3 h LYS 1663N -0.25 0.03 -0.58 6.66 3.11 -0.60 -0.92 116.57 124.02 3ig3 h LYS 1663Ca 0.01 -0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.80 3ig3 h LYS 1663Cb 0.31 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 3ig3 h LYS 1663CO 0.00 0.02 0.17 0.78 -2.81 0.00 0.00 179.45 177.61 3ig3 h GLY 1664N 0.03 0.94 1.62 5.01 0.00 -0.65 -0.97 103.07 109.05 3ig3 h GLY 1664Ca 0.19 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3ig3 h GLY 1664CO -0.39 0.49 -0.33 -0.84 0.00 0.00 0.00 176.54 175.47 3ig3 h THR 1665N 0.85 1.28 -0.00 4.70 2.02 -0.45 -3.09 112.91 118.22 3ig3 h THR 1665Ca 0.19 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3ig3 h THR 1665Cb 0.26 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3ig3 h THR 1665CO -0.01 0.44 -0.57 0.18 0.37 0.00 0.00 175.52 175.93 3ig3 n LEU 1666N -4.08 0.61 -0.22 2.58 4.77 -0.41 -4.44 117.00 115.81 3ig3 n LEU 1666Ca -0.01 -0.10 0.01 0.00 -0.03 0.00 0.00 56.01 55.89 3ig3 n LEU 1666Cb 0.45 -0.20 0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3ig3 n LEU 1666CO 0.43 0.15 0.79 -0.61 -1.33 0.00 0.00 177.39 176.81 3ig3 h GLN 1667N 0.07 0.06 -0.80 3.23 5.75 -1.09 -1.34 115.11 120.98 3ig3 h GLN 1667Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3ig3 h GLN 1667Cb 0.50 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 3ig3 h GLN 1667CO 0.00 0.04 0.51 0.87 -2.65 0.00 0.00 178.83 177.60 3ig3 h LYS 1668N 0.06 1.06 -0.19 1.69 6.56 -1.81 -0.16 116.57 123.77 3ig3 h LYS 1668Ca 0.34 -0.08 -0.09 0.00 -1.06 0.00 0.00 60.65 59.77 3ig3 h LYS 1668Cb 0.54 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 3ig3 h LYS 1668CO -0.62 0.72 -0.26 0.74 -2.06 0.00 0.00 179.45 177.97 3ig3 h PHE 1669N 1.09 0.39 -0.10 -1.35 0.04 -1.57 -1.21 116.94 114.23 3ig3 h PHE 1669Ca 0.29 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.86 3ig3 h PHE 1669Cb -0.10 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 37.96 3ig3 h PHE 1669CO 0.00 0.59 -0.41 0.28 -0.60 0.00 0.00 178.31 178.17 3ig3 h VAL 1670N 0.32 1.38 -0.68 -0.55 2.07 -1.04 -2.83 116.25 114.91 3ig3 h VAL 1670Ca 0.05 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 65.86 3ig3 h VAL 1670Cb 0.62 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 3ig3 h VAL 1670CO 0.04 0.52 0.42 0.44 0.02 0.00 0.00 177.57 179.01 3ig3 h ASP 1671N 0.02 0.68 -0.32 0.57 3.32 -0.90 -1.53 116.42 118.26 3ig3 h ASP 1671Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ig3 h ASP 1671Cb 1.04 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3ig3 h ASP 1671CO 0.09 0.47 0.20 0.44 -1.72 0.00 0.00 179.24 178.71 3ig3 h ASP 1672N 0.81 0.38 0.67 6.45 3.32 -1.24 -0.68 116.42 126.13 3ig3 h ASP 1672Ca 0.28 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3ig3 h ASP 1672Cb 0.05 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ig3 h ASP 1672CO -0.12 0.32 -0.32 0.25 -1.72 0.00 0.00 179.24 177.65 3ig3 h LEU 1673N 0.42 -0.77 -0.82 1.55 5.85 -1.23 -2.38 115.31 117.93 3ig3 h LEU 1673Ca 0.12 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3ig3 h LEU 1673Cb 0.00 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3ig3 h LEU 1673CO -0.02 -0.52 0.50 -0.26 -0.34 0.00 0.00 178.44 177.80 3ig3 h PHE 1674N -0.95 0.93 -0.75 1.25 -1.00 -1.24 -1.09 116.94 114.09 3ig3 h PHE 1674Ca -0.09 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.72 3ig3 h PHE 1674Cb 0.71 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.93 3ig3 h PHE 1674CO -0.02 0.47 0.49 1.49 -1.61 0.00 0.00 178.31 179.14 3ig3 h GLU 1675N 0.92 0.98 0.04 1.51 4.81 -1.07 -1.88 114.58 119.89 3ig3 h GLU 1675Ca 0.36 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.29 3ig3 h GLU 1675Cb 0.16 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3ig3 h GLU 1675CO -0.17 0.65 -1.03 1.79 -0.73 0.00 0.00 179.01 179.52 3ig3 h THR 1676N 1.01 1.44 -0.94 0.32 1.35 -0.88 -2.59 112.91 112.62 3ig3 h THR 1676Ca 0.28 -2.64 0.09 0.00 -0.55 0.00 0.00 66.41 63.58 3ig3 h THR 1676Cb -0.10 2.58 -0.07 0.00 -1.73 0.00 0.00 68.15 68.83 3ig3 h THR 1676CO -0.07 0.78 0.60 0.58 -0.25 0.00 0.00 175.52 177.17 3ig3 h VAL 1677N 0.17 1.00 -0.87 6.82 2.07 -1.11 -2.59 116.25 121.74 3ig3 h VAL 1677Ca -0.10 -0.34 -0.55 0.00 0.82 0.00 0.00 66.70 66.54 3ig3 h VAL 1677Cb 1.69 -0.08 -0.29 0.00 -1.52 0.00 0.00 31.29 31.10 3ig3 h VAL 1677CO 0.17 0.18 0.45 0.49 0.02 0.00 0.00 177.57 178.88 3ig3 n PHE 1678N -4.53 2.82 -4.20 1.57 3.72 -0.72 -4.96 117.46 111.16 3ig3 n PHE 1678Ca 0.16 -2.41 -0.31 0.00 -0.05 0.00 0.00 57.45 54.83 3ig3 n PHE 1678Cb 0.27 -1.03 -0.08 0.00 -0.94 0.00 0.00 39.48 37.70 3ig3 n PHE 1678CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3ig3 s SER 1679N -2.04 5.12 -0.16 4.37 1.04 -0.98 -4.69 113.70 116.36 3ig3 s SER 1679Ca 0.58 -0.07 0.17 0.00 0.48 0.00 0.00 55.95 57.10 3ig3 s SER 1679Cb 0.47 -1.30 -0.23 0.00 0.10 0.00 0.00 66.02 65.06 3ig3 s SER 1679CO 0.03 0.23 0.12 0.35 0.98 0.00 0.00 173.24 174.94 3ig3 n THR 1680N 0.99 1.06 -3.18 2.02 -2.24 -1.26 -4.72 114.28 106.95 3ig3 n THR 1680Ca -0.13 -0.72 -0.22 0.00 -2.27 0.00 0.00 64.05 60.71 3ig3 n THR 1680Cb 0.52 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 3ig3 n THR 1680CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ig3 n ALA 1681N -2.60 2.69 -2.45 6.98 0.00 -1.26 -1.34 120.51 122.53 3ig3 n ALA 1681Ca -0.26 -3.70 -0.42 0.00 0.00 0.00 0.00 53.44 49.06 3ig3 n ALA 1681Cb 1.00 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3ig3 n ALA 1681CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ig3 s HIS 1682N -2.17 3.57 -1.27 0.00 5.04 -1.25 -4.05 115.29 115.16 3ig3 s HIS 1682Ca 0.40 1.52 -0.07 0.00 -1.54 0.00 0.00 55.06 55.37 3ig3 s HIS 1682Cb 0.26 -3.27 0.01 0.00 0.04 0.00 0.00 32.58 29.63 3ig3 s HIS 1682CO -0.09 -0.63 0.13 2.89 -2.34 0.00 0.00 174.74 174.70 3ig3 n ARG 1683N 3.58 -0.80 0.00 2.88 -4.01 -1.26 0.39 116.66 117.44 3ig3 n ARG 1683Ca 0.06 0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 3ig3 n ARG 1683Cb 0.48 -2.82 0.00 0.00 -3.04 0.00 0.00 32.46 27.08 3ig3 n ARG 1683CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3ig3 n GLY 1684N -2.27 2.74 3.37 2.89 0.00 -1.26 -5.00 105.19 105.66 3ig3 n GLY 1684Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3ig3 n GLY 1684CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ig3 s SER 1685N -0.18 -0.62 0.21 1.61 1.04 0.16 -5.06 113.70 110.85 3ig3 s SER 1685Ca 0.00 0.83 0.11 0.00 0.48 0.00 0.00 55.95 57.37 3ig3 s SER 1685Cb 0.00 -1.17 -0.05 0.00 0.10 0.00 0.00 66.02 64.90 3ig3 s SER 1685CO 0.00 -5.09 -0.23 0.00 0.98 0.00 0.00 173.24 168.90 3ig3 s ALA 1686N -2.43 2.54 0.20 5.32 0.00 -1.26 -3.94 121.76 122.19 3ig3 s ALA 1686Ca 0.69 -1.68 -0.32 0.00 0.00 0.00 0.00 51.96 50.64 3ig3 s ALA 1686Cb -0.13 -0.30 -0.14 0.00 0.00 0.00 0.00 23.12 22.55 3ig3 s ALA 1686CO 0.58 0.38 1.49 -0.11 0.00 0.00 0.00 175.76 178.10 3ig3 n LEU 1687N 0.07 3.13 -4.69 0.00 7.94 -0.45 -4.90 117.00 118.10 3ig3 n LEU 1687Ca -0.11 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.48 3ig3 n LEU 1687Cb 0.57 -1.43 -0.01 0.00 0.53 0.00 0.00 43.42 43.08 3ig3 n LEU 1687CO 0.31 -0.38 0.88 -2.65 -1.11 0.00 0.00 177.39 174.45 3ig3 n PRO 1688N 2.70 2.05 -0.31 1.96 -0.02 -1.26 -4.88 135.00 135.24 3ig3 n PRO 1688Ca 0.14 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.35 3ig3 n PRO 1688Cb 0.30 -2.29 0.19 0.00 -0.02 0.00 0.00 33.50 31.68 3ig3 n PRO 1688CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ig3 h LEU 1689N 2.67 1.00 -1.18 2.45 3.38 -1.92 -2.49 115.31 119.21 3ig3 h LEU 1689Ca -0.45 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.60 3ig3 h LEU 1689Cb 1.29 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 3ig3 h LEU 1689CO 0.64 0.70 0.58 0.00 0.09 0.00 0.00 178.44 180.45 3ig3 h ALA 1690N 1.46 1.63 0.03 1.53 0.00 -1.89 0.12 119.26 122.13 3ig3 h ALA 1690Ca 0.35 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ig3 h ALA 1690Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ig3 h ALA 1690CO -0.10 0.19 -0.02 0.82 0.00 0.00 0.00 179.25 180.14 3ig3 h ILE 1691N 0.90 1.30 -0.26 0.00 2.04 -1.82 -1.85 117.51 117.82 3ig3 h ILE 1691Ca 0.42 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 65.21 3ig3 h ILE 1691Cb 0.41 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 3ig3 h ILE 1691CO -0.18 0.28 0.10 0.50 0.00 0.00 0.00 178.15 178.84 3ig3 h LYS 1692N -0.53 0.21 -0.11 2.37 1.63 -1.44 -0.62 116.57 118.07 3ig3 h LYS 1692Ca -0.00 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3ig3 h LYS 1692Cb 0.49 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 3ig3 h LYS 1692CO 0.01 0.14 -0.08 -0.92 -3.45 0.00 0.00 179.45 175.15 3ig3 h TYR 1693N 0.22 -0.18 -0.22 1.91 5.03 -1.00 -0.05 116.97 122.67 3ig3 h TYR 1693Ca 0.11 0.01 -0.19 0.00 2.58 0.00 0.00 58.73 61.25 3ig3 h TYR 1693Cb 0.07 0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.45 3ig3 h TYR 1693CO -0.12 -0.12 -0.62 1.98 -1.32 0.00 0.00 178.16 177.96 3ig3 h MET 1694N -0.08 0.75 -0.70 1.82 4.05 -1.25 -1.43 114.93 118.10 3ig3 h MET 1694Ca 0.07 -0.52 -0.06 0.00 -0.28 0.00 0.00 59.70 58.91 3ig3 h MET 1694Cb 0.19 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 3ig3 h MET 1694CO -0.16 1.14 0.19 0.74 0.23 0.00 0.00 176.91 179.04 3ig3 h PHE 1695N 0.56 1.15 -0.79 1.39 -1.00 -0.97 -0.09 116.94 117.18 3ig3 h PHE 1695Ca -0.01 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 3ig3 h PHE 1695Cb 1.21 -0.33 -0.04 0.00 3.61 0.00 0.00 35.95 40.41 3ig3 h PHE 1695CO 0.07 0.92 0.45 -0.44 -1.61 0.00 0.00 178.31 177.70 3ig3 h ASP 1696N 1.05 0.97 -0.20 2.17 5.19 -0.89 -0.96 116.42 123.75 3ig3 h ASP 1696Ca 0.22 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3ig3 h ASP 1696Cb 0.34 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 3ig3 h ASP 1696CO -0.00 0.77 0.13 0.15 -3.12 0.00 0.00 179.24 177.17 3ig3 h PHE 1697N 1.09 0.25 -0.84 4.55 3.57 -0.56 -0.37 116.94 124.64 3ig3 h PHE 1697Ca 0.28 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.81 3ig3 h PHE 1697Cb 0.00 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3ig3 h PHE 1697CO -0.00 0.16 0.54 -0.07 -2.23 0.00 0.00 178.31 176.71 3ig3 h LEU 1698N 0.27 0.92 -0.74 0.59 3.38 -0.80 -0.33 115.31 118.60 3ig3 h LEU 1698Ca 0.08 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ig3 h LEU 1698Cb -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3ig3 h LEU 1698CO -0.02 0.65 0.48 0.44 0.09 0.00 0.00 178.44 180.08 3ig3 h ASP 1699N 1.08 0.82 -0.48 -0.43 3.32 -0.80 -1.34 116.42 118.59 3ig3 h ASP 1699Ca 0.32 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 3ig3 h ASP 1699Cb -0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3ig3 h ASP 1699CO -0.10 0.59 0.18 -0.08 -1.72 0.00 0.00 179.24 178.11 3ig3 h GLU 1700N 0.97 0.73 -0.89 3.56 4.81 -0.33 0.11 114.58 123.54 3ig3 h GLU 1700Ca 0.28 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3ig3 h GLU 1700Cb -0.08 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 3ig3 h GLU 1700CO -0.07 0.66 0.59 1.96 -0.73 0.00 0.00 179.01 181.42 3ig3 h GLN 1701N 0.64 1.14 -0.22 1.92 1.08 -0.76 0.70 115.11 119.62 3ig3 h GLN 1701Ca 0.16 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 3ig3 h GLN 1701Cb 0.22 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 3ig3 h GLN 1701CO -0.01 0.76 -0.11 0.00 -0.95 0.00 0.00 178.83 178.52 3ig3 h ALA 1702N 1.46 0.31 -0.28 3.87 0.00 -0.78 -3.16 119.26 120.68 3ig3 h ALA 1702Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ig3 h ALA 1702Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ig3 h ALA 1702CO -0.08 0.15 0.01 -0.44 0.00 0.00 0.00 179.25 178.89 3ig3 h ASP 1703N 0.17 0.39 -0.30 0.00 3.32 -0.39 -1.37 116.42 118.24 3ig3 h ASP 1703Ca 0.05 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.13 3ig3 h ASP 1703Cb 0.60 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3ig3 h ASP 1703CO 0.03 0.44 0.28 -0.61 -1.72 0.00 0.00 179.24 177.66 3ig3 h GLN 1704N 0.41 0.00 -0.30 3.56 4.15 -0.83 -0.72 115.11 121.39 3ig3 h GLN 1704Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3ig3 h GLN 1704Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3ig3 h GLN 1704CO 0.01 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.45 3ig3 n ARG 1705N -3.98 3.05 -1.04 1.69 3.00 -0.77 -4.93 116.66 113.67 3ig3 n ARG 1705Ca 0.04 -2.76 -0.03 0.00 -0.01 0.00 0.00 57.85 55.09 3ig3 n ARG 1705Cb 0.43 -1.80 -0.01 0.00 0.00 0.00 0.00 32.46 31.08 3ig3 n ARG 1705CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3ig3 n GLN 1706N -0.29 -1.92 -1.85 5.56 1.13 -0.28 -4.85 117.38 114.88 3ig3 n GLN 1706Ca 0.21 0.58 -0.35 0.00 -1.94 0.00 0.00 57.00 55.49 3ig3 n GLN 1706Cb 0.85 -4.98 -0.03 0.00 0.11 0.00 0.00 30.24 26.19 3ig3 n GLN 1706CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ig3 s ILE 1707N -1.20 3.22 -0.10 5.09 1.01 -0.59 -4.76 121.20 123.87 3ig3 s ILE 1707Ca 0.00 0.08 0.16 0.00 0.00 0.00 0.00 60.65 60.88 3ig3 s ILE 1707Cb 0.00 -3.58 -0.20 0.00 0.01 0.00 0.00 42.46 38.69 3ig3 s ILE 1707CO 0.00 -0.56 0.60 -0.24 0.00 0.00 0.00 174.94 174.74 3ig3 n SER 1708N 14.27 0.65 -4.50 3.58 2.88 -1.26 -4.46 113.62 124.77 3ig3 n SER 1708Ca 0.29 0.30 -0.55 0.00 -1.33 0.00 0.00 58.87 57.58 3ig3 n SER 1708Cb 0.52 0.35 -0.08 0.00 -0.75 0.00 0.00 64.21 64.25 3ig3 n SER 1708CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3ig3 n ASP 1709N -2.88 1.98 -0.17 -3.46 2.03 -1.26 -4.83 116.55 107.95 3ig3 n ASP 1709Ca -0.17 0.69 0.12 0.00 0.52 0.00 0.00 54.79 55.95 3ig3 n ASP 1709Cb 0.96 -1.16 0.44 0.00 -0.72 0.00 0.00 41.12 40.65 3ig3 n ASP 1709CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ig3 h PRO 1710N 9.99 0.54 0.00 -0.67 0.11 -2.02 -1.88 132.00 138.08 3ig3 h PRO 1710Ca -0.31 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3ig3 h PRO 1710Cb 1.34 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ig3 h PRO 1710CO 1.01 0.36 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.63 3ig3 h ASP 1711N 0.55 0.00 0.37 -2.05 5.19 -1.99 -1.94 116.42 116.56 3ig3 h ASP 1711Ca 0.35 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.75 3ig3 h ASP 1711Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3ig3 h ASP 1711CO -0.12 0.08 -0.18 0.58 -3.12 0.00 0.00 179.24 176.48 3ig3 h VAL 1712N 0.00 0.35 -0.19 -1.35 2.07 -1.71 -1.43 116.25 113.99 3ig3 h VAL 1712Ca -0.00 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 3ig3 h VAL 1712Cb 0.21 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3ig3 h VAL 1712CO 0.01 0.08 -0.32 0.08 0.02 0.00 0.00 177.57 177.44 3ig3 h ARG 1713N -1.01 0.39 -0.37 1.57 0.11 -1.66 -0.17 114.38 113.24 3ig3 h ARG 1713Ca -0.05 -0.16 0.06 0.00 0.10 0.00 0.00 59.98 59.93 3ig3 h ARG 1713Cb 0.51 -0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.52 3ig3 h ARG 1713CO 0.08 0.68 0.04 1.25 0.10 0.00 0.00 179.97 182.11 3ig3 h HIS 1714N 0.34 0.05 -0.47 4.08 2.76 -1.42 -0.67 115.15 119.82 3ig3 h HIS 1714Ca 0.04 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 3ig3 h HIS 1714Cb 0.74 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 3ig3 h HIS 1714CO 0.02 -0.03 -0.01 1.15 -1.30 0.00 0.00 177.93 177.76 3ig3 h THR 1715N 0.15 1.26 -0.46 6.26 2.02 -0.56 -0.88 112.91 120.70 3ig3 h THR 1715Ca 0.18 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.31 3ig3 h THR 1715Cb 0.23 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3ig3 h THR 1715CO -0.27 0.37 0.25 -0.50 0.37 0.00 0.00 175.52 175.75 3ig3 h TRP 1716N 0.69 0.47 -0.29 3.16 6.55 -0.85 0.16 115.95 125.84 3ig3 h TRP 1716Ca 0.13 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.95 3ig3 h TRP 1716Cb 0.52 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 28.67 3ig3 h TRP 1716CO 0.04 0.25 0.03 0.87 -1.05 0.00 0.00 178.44 178.59 3ig3 h LYS 1717N 0.50 0.49 -0.08 0.49 1.57 -0.93 -0.86 116.57 117.75 3ig3 h LYS 1717Ca 0.19 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3ig3 h LYS 1717Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3ig3 h LYS 1717CO -0.11 0.61 -0.03 0.77 -0.57 0.00 0.00 179.45 180.12 3ig3 h SER 1718N 0.30 -0.12 -0.98 0.86 0.02 -1.02 -1.79 113.55 110.82 3ig3 h SER 1718Ca 0.09 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3ig3 h SER 1718Cb 0.37 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.91 3ig3 h SER 1718CO 0.01 -0.05 0.63 0.78 -1.14 0.00 0.00 176.83 177.06 3ig3 h ASN 1719N -0.02 0.99 0.41 3.07 2.35 -0.50 -1.37 115.58 120.51 3ig3 h ASN 1719Ca 0.05 0.01 -0.26 0.00 -0.55 0.00 0.00 56.30 55.55 3ig3 h ASN 1719Cb 0.09 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.28 3ig3 h ASN 1719CO -0.10 0.61 -1.13 0.00 -1.65 0.00 0.00 177.43 175.16 3ig3 n LEU 1721N -3.67 0.00 -0.21 0.00 7.94 -0.70 -4.60 117.00 115.76 3ig3 n LEU 1721Ca -0.09 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.79 3ig3 n LEU 1721Cb 0.94 -0.04 0.19 0.00 0.53 0.00 0.00 43.42 45.05 3ig3 n LEU 1721CO 0.54 -0.11 1.12 1.55 -1.11 0.00 0.00 177.39 179.38 3ig3 h PRO 1722N 0.00 0.98 0.00 1.96 0.13 -1.73 -0.32 132.00 133.03 3ig3 h PRO 1722Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3ig3 h PRO 1722Cb 0.00 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 30.94 3ig3 h PRO 1722CO 0.00 0.75 0.00 1.28 -0.23 0.00 0.00 178.00 179.80 3ig3 n LEU 1723N -4.35 0.00 0.00 1.56 4.77 -0.52 -1.49 117.00 116.98 3ig3 n LEU 1723Ca 0.07 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3ig3 n LEU 1723Cb 0.12 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3ig3 n LEU 1723CO 0.38 -0.08 0.00 0.54 -1.33 0.00 0.00 177.39 176.91 3ig3 n ARG 1724N -1.33 0.00 0.17 3.23 1.74 -0.81 -4.73 116.66 114.93 3ig3 n ARG 1724Ca 0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 3ig3 n ARG 1724Cb 0.20 -0.04 -0.07 0.00 -1.02 0.00 0.00 32.46 31.53 3ig3 n ARG 1724CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3ig3 h PHE 1725N 0.00 -0.60 -0.19 -1.55 3.57 -1.26 -2.23 116.94 114.68 3ig3 h PHE 1725Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3ig3 h PHE 1725Cb 0.00 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3ig3 h PHE 1725CO 0.00 -0.34 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.13 3ig3 h TRP 1726N -0.50 0.50 -0.95 0.41 4.06 -1.48 -2.65 115.95 115.33 3ig3 h TRP 1726Ca -0.01 -0.13 0.13 0.00 2.06 0.00 0.00 58.89 60.94 3ig3 h TRP 1726Cb 0.46 -0.11 -0.08 0.00 -1.00 0.00 0.00 29.16 28.43 3ig3 h TRP 1726CO -0.15 0.74 0.61 0.28 -3.56 0.00 0.00 178.44 176.36 3ig3 h VAL 1727N 0.10 0.89 -0.37 1.49 2.07 -1.31 -0.68 116.25 118.45 3ig3 h VAL 1727Ca 0.04 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3ig3 h VAL 1727Cb 0.63 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3ig3 h VAL 1727CO 0.03 0.16 0.06 -1.13 0.02 0.00 0.00 177.57 176.71 3ig3 h ASN 1728N 0.87 0.59 1.08 0.57 -1.24 -1.12 -1.57 115.58 114.76 3ig3 h ASN 1728Ca 0.47 -0.26 -0.12 0.00 0.71 0.00 0.00 56.30 57.10 3ig3 h ASN 1728Cb 0.57 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 3ig3 h ASN 1728CO -0.24 0.70 -0.57 -0.37 -1.29 0.00 0.00 177.43 175.66 3ig3 h VAL 1729N 0.45 1.10 -0.36 2.57 -1.51 -1.13 -0.44 116.25 116.94 3ig3 h VAL 1729Ca 0.11 -2.21 -0.04 0.00 -1.23 0.00 0.00 66.70 63.33 3ig3 h VAL 1729Cb 0.36 2.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 3ig3 h VAL 1729CO 0.01 0.56 0.05 0.40 -1.23 0.00 0.00 177.57 177.36 3ig3 h ILE 1730N 0.00 1.24 0.00 7.19 2.04 -1.03 -1.77 117.51 125.19 3ig3 h ILE 1730Ca -0.01 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.91 3ig3 h ILE 1730Cb 1.26 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3ig3 h ILE 1730CO 0.07 0.29 -0.42 0.11 0.00 0.00 0.00 178.15 178.20 3ig3 h LYS 1731N 0.43 0.00 -2.09 2.37 1.57 -1.25 -3.37 116.57 114.23 3ig3 h LYS 1731Ca 0.11 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.33 3ig3 h LYS 1731Cb 0.37 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.27 3ig3 h LYS 1731CO 0.01 0.42 -0.91 0.09 -0.57 0.00 0.00 179.45 178.48 3ig3 n ASN 1732N -3.58 1.84 0.33 0.86 3.02 -0.18 -4.90 115.26 112.66 3ig3 n ASN 1732Ca -0.00 -3.08 0.21 0.00 -0.03 0.00 0.00 54.58 51.68 3ig3 n ASN 1732Cb 0.53 -0.64 1.16 0.00 -0.61 0.00 0.00 39.78 40.22 3ig3 n ASN 1732CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3ig3 h PRO 1733N 3.79 0.00 0.00 3.52 0.13 -1.50 -0.08 132.00 137.86 3ig3 h PRO 1733Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ig3 h PRO 1733Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3ig3 h PRO 1733CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 3ig3 n GLN 1734N -3.19 0.51 0.19 0.86 0.00 -1.26 -1.10 117.38 113.37 3ig3 n GLN 1734Ca -0.03 0.04 0.10 0.00 0.00 0.00 0.00 57.00 57.11 3ig3 n GLN 1734Cb 0.09 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 28.95 3ig3 n GLN 1734CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 3ig3 h PHE 1735N 0.00 0.00 0.00 2.61 0.04 -1.36 -3.36 116.94 114.87 3ig3 h PHE 1735Ca 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 3ig3 h PHE 1735Cb 0.08 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 3ig3 h PHE 1735CO 0.00 0.10 -1.94 0.28 -0.60 0.00 0.00 178.31 176.15 3ig3 n VAL 1736N -3.06 0.94 -4.36 -0.55 0.31 -0.46 -4.38 118.33 106.77 3ig3 n VAL 1736Ca 0.03 -0.54 -0.27 0.00 -0.01 0.00 0.00 64.34 63.55 3ig3 n VAL 1736Cb 0.58 -0.72 -0.13 0.00 -0.91 0.00 0.00 33.84 32.66 3ig3 n VAL 1736CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ig3 s PHE 1737N -2.33 2.12 -1.17 3.52 0.08 -0.26 -1.40 117.98 118.54 3ig3 s PHE 1737Ca -0.10 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.36 3ig3 s PHE 1737Cb 0.04 -1.13 0.05 0.00 -0.57 0.00 0.00 43.02 41.41 3ig3 s PHE 1737CO 0.53 0.32 1.65 0.34 -0.10 0.00 0.00 175.22 177.97 3ig3 s ASP 1738N -2.15 6.53 0.15 1.36 -1.08 0.31 -4.47 116.67 117.33 3ig3 s ASP 1738Ca 0.13 -1.96 -0.04 0.00 -0.52 0.00 0.00 52.55 50.16 3ig3 s ASP 1738Cb -0.09 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.76 3ig3 s ASP 1738CO 0.06 -1.48 0.16 0.27 0.52 0.00 0.00 175.17 174.70 3ig3 s ILE 1739N 5.18 0.08 -0.23 4.11 -4.36 -1.26 -3.02 121.20 121.70 3ig3 s ILE 1739Ca 0.53 -1.70 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 3ig3 s ILE 1739Cb 0.02 -1.99 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 3ig3 s ILE 1739CO 0.01 -0.36 0.04 -2.28 0.24 0.00 0.00 174.94 172.59 3ig3 s HIS 1740N -4.02 3.06 -0.41 1.37 5.65 -1.26 -4.85 115.29 114.83 3ig3 s HIS 1740Ca 0.22 -0.48 -0.18 0.00 0.25 0.00 0.00 55.06 54.87 3ig3 s HIS 1740Cb 0.06 -2.18 0.02 0.00 -1.18 0.00 0.00 32.58 29.30 3ig3 s HIS 1740CO 0.02 -0.34 0.46 0.21 -0.65 0.00 0.00 174.74 174.44 3ig3 s LYS 1741N 1.40 3.18 0.79 2.88 2.20 -1.26 -5.07 119.74 123.86 3ig3 s LYS 1741Ca 0.05 -0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 54.90 3ig3 s LYS 1741Cb -0.15 -3.94 0.08 0.00 -1.51 0.00 0.00 37.83 32.31 3ig3 s LYS 1741CO 0.02 -0.83 1.14 0.54 -0.36 0.00 0.00 175.35 175.85 3ig3 s ASN 1742N 1.82 4.51 0.14 1.43 6.03 -1.26 -4.83 114.94 122.78 3ig3 s ASN 1742Ca 0.14 0.63 -0.20 0.00 -1.03 0.00 0.00 52.86 52.39 3ig3 s ASN 1742Cb -0.17 -1.14 0.01 0.00 -3.03 0.00 0.00 41.25 36.92 3ig3 s ASN 1742CO 0.14 -1.87 1.67 -1.28 -2.03 0.00 0.00 177.10 173.74 3ig3 h SER 1743N -0.95 -0.39 -0.28 3.54 0.87 -1.97 -0.46 113.55 113.91 3ig3 h SER 1743Ca -0.45 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.09 3ig3 h SER 1743Cb 1.32 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 3ig3 h SER 1743CO 0.62 -0.15 -0.21 -0.29 -0.53 0.00 0.00 176.83 176.26 3ig3 h ILE 1744N -0.10 1.27 -0.51 2.23 6.09 -1.95 -1.29 117.51 123.25 3ig3 h ILE 1744Ca 0.12 -1.31 -0.01 0.00 -1.37 0.00 0.00 64.86 62.29 3ig3 h ILE 1744Cb 0.28 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 3ig3 h ILE 1744CO -0.28 0.44 0.28 0.74 -3.07 0.00 0.00 178.15 176.26 3ig3 h THR 1745N 0.66 1.17 -0.88 2.19 2.02 -1.87 -1.81 112.91 114.38 3ig3 h THR 1745Ca 0.09 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 66.89 3ig3 h THR 1745Cb 0.71 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3ig3 h THR 1745CO 0.05 0.18 0.58 -0.78 0.37 0.00 0.00 175.52 175.92 3ig3 h ASP 1746N 0.67 0.92 -0.42 4.18 3.58 -0.68 -0.81 116.42 123.86 3ig3 h ASP 1746Ca 0.18 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 3ig3 h ASP 1746Cb 0.04 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3ig3 h ASP 1746CO -0.03 0.62 0.03 0.00 -2.88 0.00 0.00 179.24 176.98 3ig3 h ALA 1747N 1.50 0.56 -0.57 -0.78 0.00 -0.77 -1.51 119.26 117.69 3ig3 h ALA 1747Ca 0.36 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ig3 h ALA 1747Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ig3 h ALA 1747CO -0.12 0.32 0.12 0.00 0.00 0.00 0.00 179.25 179.57 3ig3 h LEU 1749N 0.82 0.24 -0.90 0.00 3.38 -1.03 -1.99 115.31 115.84 3ig3 h LEU 1749Ca 0.18 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3ig3 h LEU 1749Cb 0.37 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3ig3 h LEU 1749CO 0.00 0.32 0.30 0.28 0.09 0.00 0.00 178.44 179.43 3ig3 h SER 1750N 0.26 1.01 -0.29 -0.43 0.02 -1.01 0.11 113.55 113.22 3ig3 h SER 1750Ca 0.06 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3ig3 h SER 1750Cb 0.23 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3ig3 h SER 1750CO 0.01 0.90 0.10 0.58 -1.14 0.00 0.00 176.83 177.27 3ig3 h VAL 1751N 1.08 1.20 -0.51 2.27 2.07 -1.24 -1.72 116.25 119.40 3ig3 h VAL 1751Ca 0.25 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3ig3 h VAL 1751Cb 0.20 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3ig3 h VAL 1751CO -0.02 0.21 0.34 0.58 0.02 0.00 0.00 177.57 178.69 3ig3 h VAL 1752N 0.32 1.13 -0.98 2.57 2.07 -1.08 -2.20 116.25 118.08 3ig3 h VAL 1752Ca 0.10 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ig3 h VAL 1752Cb 0.23 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 3ig3 h VAL 1752CO -0.00 0.13 0.65 0.00 0.02 0.00 0.00 177.57 178.36 3ig3 h ALA 1753N 1.18 1.25 -0.54 1.67 0.00 -0.65 -0.51 119.26 121.67 3ig3 h ALA 1753Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ig3 h ALA 1753Cb -0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 3ig3 h ALA 1753CO -0.04 0.62 0.13 0.37 0.00 0.00 0.00 179.25 180.33 3ig3 h GLN 1754N 1.32 0.86 -0.52 0.00 5.75 -1.03 0.11 115.11 121.59 3ig3 h GLN 1754Ca 0.36 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3ig3 h GLN 1754Cb -0.13 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 3ig3 h GLN 1754CO -0.09 0.81 0.30 1.15 -2.65 0.00 0.00 178.83 178.36 3ig3 h THR 1755N 0.75 1.17 -0.38 2.39 2.02 -0.99 -0.63 112.91 117.24 3ig3 h THR 1755Ca 0.17 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.00 3ig3 h THR 1755Cb 0.34 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 3ig3 h THR 1755CO 0.00 0.17 0.12 0.15 0.37 0.00 0.00 175.52 176.34 3ig3 h PHE 1756N 0.70 0.22 -0.22 3.16 3.04 -0.69 -1.55 116.94 121.60 3ig3 h PHE 1756Ca 0.19 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.18 3ig3 h PHE 1756Cb 0.01 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 3ig3 h PHE 1756CO -0.02 0.08 0.07 0.52 -2.02 0.00 0.00 178.31 176.94 3ig3 h MET 1757N 0.28 0.16 -0.73 1.11 2.86 -0.40 -2.42 114.93 115.79 3ig3 h MET 1757Ca 0.17 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.86 3ig3 h MET 1757Cb 0.16 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3ig3 h MET 1757CO -0.18 0.11 0.48 -0.44 1.06 0.00 0.00 176.91 177.93 3ig3 h ASP 1758N 0.17 0.68 0.65 1.22 3.32 -0.76 -1.43 116.42 120.28 3ig3 h ASP 1758Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3ig3 h ASP 1758Cb 0.07 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ig3 h ASP 1758CO -0.11 0.45 -0.04 0.28 -1.72 0.00 0.00 179.24 178.10 3ig3 h SER 1759N 0.78 0.00 0.27 6.45 0.02 -0.78 -2.70 113.55 117.58 3ig3 h SER 1759Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3ig3 h SER 1759Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3ig3 h SER 1759CO -0.10 0.04 -0.41 0.00 -1.14 0.00 0.00 176.83 175.22 3ig3 s SER 1761N -2.68 6.68 0.13 0.00 0.15 -1.02 -4.83 113.70 112.13 3ig3 s SER 1761Ca 0.19 1.11 0.24 0.00 0.70 0.00 0.00 55.95 58.19 3ig3 s SER 1761Cb 0.18 -2.31 0.33 0.00 -1.71 0.00 0.00 66.02 62.52 3ig3 s SER 1761CO 0.60 -0.18 1.31 0.71 1.20 0.00 0.00 173.24 176.89 3ig3 h THR 1762N 1.87 0.00 -4.11 6.45 1.35 -1.91 -3.48 112.91 113.08 3ig3 h THR 1762Ca -0.47 -0.53 -0.54 0.00 -0.55 0.00 0.00 66.41 64.32 3ig3 h THR 1762Cb 1.17 1.11 0.13 0.00 -1.73 0.00 0.00 68.15 68.84 3ig3 h THR 1762CO 0.67 0.00 0.47 -0.55 -0.25 0.00 0.00 175.52 175.86 3ig3 s SER 1763N -4.33 4.91 0.44 5.36 0.15 -1.26 -4.99 113.70 113.98 3ig3 s SER 1763Ca 0.06 2.44 -0.22 0.00 0.70 0.00 0.00 55.95 58.93 3ig3 s SER 1763Cb 0.13 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.74 3ig3 s SER 1763CO 0.72 -1.79 1.00 -1.83 1.20 0.00 0.00 173.24 172.55 3ig3 s GLU 1764N -3.43 4.08 -0.54 5.44 4.04 -1.26 -5.02 118.70 122.01 3ig3 s GLU 1764Ca 0.78 1.29 -0.17 0.00 0.04 0.00 0.00 54.97 56.92 3ig3 s GLU 1764Cb -0.32 -2.26 0.12 0.00 0.02 0.00 0.00 34.13 31.69 3ig3 s GLU 1764CO 0.36 -0.18 0.53 -1.58 -1.84 0.00 0.00 175.26 172.56 3ig3 s HIS 1765N -1.97 3.20 -0.82 4.83 2.46 -1.26 -5.02 115.29 116.70 3ig3 s HIS 1765Ca 0.62 -1.18 -0.19 0.00 0.47 0.00 0.00 55.06 54.78 3ig3 s HIS 1765Cb -0.15 -3.77 0.12 0.00 -0.13 0.00 0.00 32.58 28.65 3ig3 s HIS 1765CO 0.19 -1.05 1.01 -0.98 -2.47 0.00 0.00 174.74 171.44 3ig3 s ARG 1766N 1.82 3.43 0.01 2.88 1.70 -1.26 -5.01 118.95 122.52 3ig3 s ARG 1766Ca 0.05 -1.58 -0.30 0.00 -0.47 0.00 0.00 55.73 53.43 3ig3 s ARG 1766Cb -0.28 -4.66 -0.05 0.00 -0.57 0.00 0.00 34.95 29.39 3ig3 s ARG 1766CO 0.04 -1.71 1.27 -1.17 -1.08 0.00 0.00 175.30 172.65 3ig3 s LEU 1767N 2.76 4.33 0.25 -1.89 2.96 -1.26 -4.90 118.68 120.93 3ig3 s LEU 1767Ca 0.27 2.00 -0.19 0.00 -0.22 0.00 0.00 54.13 56.00 3ig3 s LEU 1767Cb -0.10 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.04 3ig3 s LEU 1767CO -0.04 -0.59 0.62 -0.83 -1.32 0.00 0.00 176.35 174.20 3ig3 s GLY 1768N 1.41 0.03 0.25 7.98 0.00 -1.26 -4.92 107.32 110.81 3ig3 s GLY 1768Ca 0.60 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.88 3ig3 s GLY 1768CO 0.26 -0.23 1.87 0.50 0.00 0.00 0.00 173.10 175.49 3ig3 h LYS 1769N 2.09 1.02 0.00 2.90 1.79 -1.98 -0.84 116.57 121.55 3ig3 h LYS 1769Ca -0.23 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3ig3 h LYS 1769Cb 1.26 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 3ig3 h LYS 1769CO 0.29 0.67 0.00 -0.40 -1.08 0.00 0.00 179.45 178.94 3ig3 n ASP 1770N -4.57 0.00 -4.76 0.86 5.68 -1.26 -4.80 116.55 107.70 3ig3 n ASP 1770Ca 0.13 -0.65 -0.40 0.00 -0.50 0.00 0.00 54.79 53.36 3ig3 n ASP 1770Cb 0.16 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.09 3ig3 n ASP 1770CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3ig3 s SER 1771N -2.01 7.21 0.71 -1.12 0.01 -0.32 -5.00 113.70 113.19 3ig3 s SER 1771Ca 0.32 2.27 -0.16 0.00 1.31 0.00 0.00 55.95 59.68 3ig3 s SER 1771Cb 0.15 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 3ig3 s SER 1771CO 0.25 -0.18 0.41 -2.65 0.41 0.00 0.00 173.24 171.47 3ig3 n PRO 1772N 1.08 0.27 -0.08 12.44 -0.02 -1.26 -4.72 135.00 142.71 3ig3 n PRO 1772Ca -0.01 0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.53 3ig3 n PRO 1772Cb 0.45 -1.71 -0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3ig3 n PRO 1772CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ig3 h SER 1773N -0.34 -0.21 -0.92 2.55 0.87 -1.95 -2.10 113.55 111.45 3ig3 h SER 1773Ca -0.45 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.32 3ig3 h SER 1773Cb 1.36 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 63.39 3ig3 h SER 1773CO 0.42 -0.07 0.54 -0.55 -0.53 0.00 0.00 176.83 176.64 3ig3 h ASN 1774N 0.04 0.75 -0.81 6.23 -1.07 -1.92 0.27 115.58 119.07 3ig3 h ASN 1774Ca 0.14 0.06 -0.04 0.00 0.07 0.00 0.00 56.30 56.54 3ig3 h ASN 1774Cb 0.21 -0.08 -0.04 0.00 -2.07 0.00 0.00 38.32 36.34 3ig3 h ASN 1774CO -0.28 0.38 0.35 0.11 0.07 0.00 0.00 177.43 178.06 3ig3 h LYS 1775N 0.83 1.19 0.14 4.14 1.57 -1.74 -0.83 116.57 121.88 3ig3 h LYS 1775Ca 0.47 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3ig3 h LYS 1775Cb 0.53 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3ig3 h LYS 1775CO -0.29 0.94 -0.07 1.25 -0.57 0.00 0.00 179.45 180.71 3ig3 h LEU 1776N 1.17 -0.16 -0.69 2.94 6.46 -0.52 -1.63 115.31 122.87 3ig3 h LEU 1776Ca 0.27 -0.37 0.04 0.00 -0.12 0.00 0.00 57.88 57.71 3ig3 h LEU 1776Cb 0.18 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 3ig3 h LEU 1776CO -0.03 0.33 0.41 -0.07 -0.62 0.00 0.00 178.44 178.47 3ig3 h LEU 1777N -0.72 0.64 -3.03 2.25 3.38 -0.51 -3.00 115.31 114.32 3ig3 h LEU 1777Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ig3 h LEU 1777Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ig3 h LEU 1777CO 0.03 0.43 0.00 -1.22 0.09 0.00 0.00 178.44 177.77 3ig3 n TYR 1778N -4.72 1.05 -0.26 1.13 4.01 -0.32 -4.62 117.16 113.42 3ig3 n TYR 1778Ca 0.08 -0.60 0.20 0.00 -0.16 0.00 0.00 57.90 57.42 3ig3 n TYR 1778Cb 0.13 -0.16 0.51 0.00 -0.31 0.00 0.00 39.34 39.52 3ig3 n TYR 1778CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ig3 h ALA 1779N 3.23 2.23 0.00 -0.72 0.00 -1.14 0.38 119.26 123.22 3ig3 h ALA 1779Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ig3 h ALA 1779Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ig3 h ALA 1779CO 0.13 -0.54 -0.54 0.87 0.00 0.00 0.00 179.25 179.17 3ig3 h LYS 1780N 0.40 0.00 0.04 0.00 1.57 -1.84 -3.35 116.57 113.39 3ig3 h LYS 1780Ca 0.50 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.95 3ig3 h LYS 1780Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 3ig3 h LYS 1780CO -0.20 0.00 -1.90 -0.25 -0.57 0.00 0.00 179.45 176.53 3ig3 n ASP 1781N -2.21 1.29 -0.16 0.86 8.00 0.02 -4.39 116.55 119.95 3ig3 n ASP 1781Ca 0.03 0.28 -0.02 0.00 0.71 0.00 0.00 54.79 55.80 3ig3 n ASP 1781Cb 0.45 -0.27 0.06 0.00 -0.02 0.00 0.00 41.12 41.34 3ig3 n ASP 1781CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ig3 h ILE 1782N 0.02 0.56 -0.93 0.53 1.08 -1.42 -1.37 117.51 115.98 3ig3 h ILE 1782Ca -0.37 -0.03 0.12 0.00 -0.39 0.00 0.00 64.86 64.19 3ig3 h ILE 1782Cb 2.04 0.47 -0.08 0.00 -3.07 0.00 0.00 36.82 36.18 3ig3 h ILE 1782CO 0.07 0.02 0.56 -0.65 -0.69 0.00 0.00 178.15 177.46 3ig3 h PRO 1783N 0.08 0.86 -0.12 2.37 0.11 -1.77 0.25 132.00 133.79 3ig3 h PRO 1783Ca 0.26 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 3ig3 h PRO 1783Cb 0.40 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3ig3 h PRO 1783CO -0.46 0.57 0.00 -0.91 -0.21 0.00 0.00 178.00 176.99 3ig3 h ASN 1784N 0.88 0.20 -0.65 -2.05 -0.26 -1.52 -2.70 115.58 109.49 3ig3 h ASN 1784Ca 0.47 -0.31 0.03 0.00 -0.56 0.00 0.00 56.30 55.93 3ig3 h ASN 1784Cb 0.49 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.65 3ig3 h ASN 1784CO -0.28 0.46 0.40 1.88 -1.06 0.00 0.00 177.43 178.83 3ig3 h TYR 1785N -0.06 0.75 -0.87 1.19 0.05 -0.38 -1.59 116.97 116.06 3ig3 h TYR 1785Ca 0.03 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.93 3ig3 h TYR 1785Cb 0.35 -0.24 -0.07 0.00 1.01 0.00 0.00 36.73 37.77 3ig3 h TYR 1785CO 0.03 0.42 0.52 0.87 -1.05 0.00 0.00 178.16 178.95 3ig3 h LYS 1786N 0.78 0.83 -0.39 4.88 1.57 -0.49 -0.46 116.57 123.30 3ig3 h LYS 1786Ca 0.26 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3ig3 h LYS 1786Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3ig3 h LYS 1786CO -0.11 0.55 0.04 0.66 -0.57 0.00 0.00 179.45 180.02 3ig3 h SER 1787N 0.86 0.56 -0.59 0.86 4.64 -0.97 -0.55 113.55 118.36 3ig3 h SER 1787Ca 0.42 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 3ig3 h SER 1787Cb 0.37 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 3ig3 h SER 1787CO -0.25 0.61 0.26 -0.50 -0.87 0.00 0.00 176.83 176.08 3ig3 h TRP 1788N 0.58 0.87 -0.31 4.77 6.55 -0.55 -1.49 115.95 126.38 3ig3 h TRP 1788Ca 0.13 -0.06 -0.04 0.00 0.95 0.00 0.00 58.89 59.87 3ig3 h TRP 1788Cb 0.32 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.34 3ig3 h TRP 1788CO 0.01 0.69 0.05 0.28 -1.05 0.00 0.00 178.44 178.42 3ig3 h VAL 1789N 0.80 1.23 -0.67 1.49 2.07 -0.66 -0.41 116.25 120.11 3ig3 h VAL 1789Ca 0.20 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3ig3 h VAL 1789Cb 0.17 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3ig3 h VAL 1789CO -0.02 0.26 0.40 -0.33 0.02 0.00 0.00 177.57 177.90 3ig3 h GLU 1790N 0.34 0.74 0.00 1.57 5.08 -1.03 -1.94 114.58 119.34 3ig3 h GLU 1790Ca 0.09 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3ig3 h GLU 1790Cb 0.34 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3ig3 h GLU 1790CO 0.01 0.49 -0.52 -0.09 -1.00 0.00 0.00 179.01 177.89 3ig3 h ARG 1791N 0.76 0.00 0.37 2.33 2.43 -1.09 -2.00 114.38 117.17 3ig3 h ARG 1791Ca 0.28 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3ig3 h ARG 1791Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3ig3 h ARG 1791CO -0.14 0.52 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.74 3ig3 h TYR 1792N 0.00 -0.46 -0.89 2.20 3.20 -0.53 0.09 116.97 120.58 3ig3 h TYR 1792Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3ig3 h TYR 1792Cb 0.96 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.34 3ig3 h TYR 1792CO 0.00 -0.20 0.53 1.88 -1.64 0.00 0.00 178.16 178.73 3ig3 h TYR 1793N -0.65 1.18 -0.02 -3.82 0.05 -1.33 -1.26 116.97 111.12 3ig3 h TYR 1793Ca -0.05 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 3ig3 h TYR 1793Cb 0.47 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3ig3 h TYR 1793CO -0.01 0.79 0.01 -0.09 -1.05 0.00 0.00 178.16 177.80 3ig3 h ARG 1794N 1.23 0.03 -0.68 4.88 2.43 -1.28 -2.10 114.38 118.88 3ig3 h ARG 1794Ca 0.32 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3ig3 h ARG 1794Cb -0.04 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3ig3 h ARG 1794CO -0.06 0.13 0.19 -0.44 -1.51 0.00 0.00 179.97 178.28 3ig3 h ASP 1795N -0.09 0.98 -0.56 -3.80 5.19 -0.74 -2.63 116.42 114.78 3ig3 h ASP 1795Ca 0.01 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 3ig3 h ASP 1795Cb 0.11 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.34 3ig3 h ASP 1795CO -0.00 0.93 0.27 0.40 -3.12 0.00 0.00 179.24 177.72 3ig3 h ILE 1796N 1.01 1.20 -0.53 0.35 2.04 -1.14 -2.73 117.51 117.71 3ig3 h ILE 1796Ca 0.22 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3ig3 h ILE 1796Cb 0.31 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3ig3 h ILE 1796CO -0.00 0.23 0.27 0.00 0.00 0.00 0.00 178.15 178.65 3ig3 h ALA 1797N 1.11 1.48 0.00 1.87 0.00 -1.17 -2.42 119.26 120.12 3ig3 h ALA 1797Ca 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ig3 h ALA 1797Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ig3 h ALA 1797CO -0.02 0.42 -0.27 0.87 0.00 0.00 0.00 179.25 180.25 3ig3 h LYS 1798N 0.74 0.00 -7.20 0.00 1.57 -1.17 -3.45 116.57 107.06 3ig3 h LYS 1798Ca 0.19 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.44 3ig3 h LYS 1798Cb 0.05 0.00 0.16 0.00 0.08 0.00 0.00 32.23 32.52 3ig3 h LYS 1798CO -0.03 0.27 0.36 -1.64 -0.57 0.00 0.00 179.45 177.84 3ig3 s MET 1799N -3.94 2.03 0.32 3.15 -1.94 -0.91 -4.95 119.30 113.05 3ig3 s MET 1799Ca -0.01 1.64 -0.29 0.00 -1.71 0.00 0.00 55.69 55.32 3ig3 s MET 1799Cb 0.12 -1.83 -0.11 0.00 2.01 0.00 0.00 34.83 35.03 3ig3 s MET 1799CO 0.65 -1.89 1.42 0.00 -0.01 0.00 0.00 175.02 175.19 3ig3 s ALA 1800N -2.20 3.58 0.52 3.03 0.00 -1.26 -4.96 121.76 120.47 3ig3 s ALA 1800Ca 0.71 1.40 -0.23 0.00 0.00 0.00 0.00 51.96 53.85 3ig3 s ALA 1800Cb -0.26 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 3ig3 s ALA 1800CO 0.48 -0.82 1.36 -1.12 0.00 0.00 0.00 175.76 175.65 3ig3 s SER 1801N -0.04 5.47 -0.12 0.00 0.01 -1.26 -4.97 113.70 112.78 3ig3 s SER 1801Ca 0.54 2.76 -0.26 0.00 1.31 0.00 0.00 55.95 60.30 3ig3 s SER 1801Cb -0.43 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.14 3ig3 s SER 1801CO 0.52 -1.44 0.86 -0.63 0.41 0.00 0.00 173.24 172.97 3ig3 s ILE 1802N -1.30 4.89 0.56 1.44 1.01 -1.26 -5.03 121.20 121.50 3ig3 s ILE 1802Ca 0.69 1.72 -0.20 0.00 0.00 0.00 0.00 60.65 62.86 3ig3 s ILE 1802Cb -0.40 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 3ig3 s ILE 1802CO 0.48 0.08 1.20 -0.94 0.00 0.00 0.00 174.94 175.76 3ig3 s SER 1803N 1.07 5.47 0.27 3.58 1.04 -1.26 -4.83 113.70 119.03 3ig3 s SER 1803Ca 0.42 2.36 -0.01 0.00 0.48 0.00 0.00 55.95 59.20 3ig3 s SER 1803Cb -0.18 -2.60 0.48 0.00 0.10 0.00 0.00 66.02 63.82 3ig3 s SER 1803CO 0.16 -1.40 1.84 0.44 0.98 0.00 0.00 173.24 175.26 3ig3 h ASP 1804N 1.19 0.88 -0.50 7.02 5.19 -1.99 -0.60 116.42 127.62 3ig3 h ASP 1804Ca -0.50 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 3ig3 h ASP 1804Cb 1.28 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 3ig3 h ASP 1804CO 0.56 0.50 0.11 -0.61 -3.12 0.00 0.00 179.24 176.68 3ig3 h GLN 1805N 0.98 0.81 -0.33 3.56 4.15 -1.99 0.13 115.11 122.42 3ig3 h GLN 1805Ca 0.46 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 3ig3 h GLN 1805Cb 0.38 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3ig3 h GLN 1805CO -0.24 0.79 0.17 -0.44 -1.93 0.00 0.00 178.83 177.18 3ig3 h ASP 1806N 0.69 0.42 -0.22 -0.69 3.45 -1.80 -0.74 116.42 117.53 3ig3 h ASP 1806Ca 0.16 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 3ig3 h ASP 1806Cb 0.35 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 3ig3 h ASP 1806CO 0.00 0.40 0.12 -0.03 -1.57 0.00 0.00 179.24 178.17 3ig3 h MET 1807N 0.41 0.31 -0.61 3.56 4.05 -0.91 -1.25 114.93 120.49 3ig3 h MET 1807Ca 0.11 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 3ig3 h MET 1807Cb 0.08 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.76 3ig3 h MET 1807CO -0.02 0.29 0.29 -0.44 0.23 0.00 0.00 176.91 177.26 3ig3 h ASP 1808N 0.25 0.39 -0.52 1.39 5.19 -0.90 0.12 116.42 122.34 3ig3 h ASP 1808Ca 0.08 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3ig3 h ASP 1808Cb 0.07 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 3ig3 h ASP 1808CO -0.01 0.25 0.34 0.00 -3.12 0.00 0.00 179.24 176.69 3ig3 h ALA 1809N 1.36 0.66 -0.29 3.45 0.00 -0.86 0.24 119.26 123.82 3ig3 h ALA 1809Ca 0.29 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3ig3 h ALA 1809Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ig3 h ALA 1809CO -0.23 0.12 0.12 -0.92 0.00 0.00 0.00 179.25 178.34 3ig3 h TYR 1810N 0.71 0.22 -0.72 0.00 3.20 -0.57 -0.65 116.97 119.15 3ig3 h TYR 1810Ca 0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3ig3 h TYR 1810Cb -0.07 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3ig3 h TYR 1810CO -0.04 0.11 0.23 -0.07 -1.64 0.00 0.00 178.16 176.75 3ig3 h LEU 1811N 0.26 1.04 -0.52 2.82 3.38 -0.33 -0.75 115.31 121.22 3ig3 h LEU 1811Ca 0.12 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ig3 h LEU 1811Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3ig3 h LEU 1811CO -0.11 0.96 0.33 0.58 0.09 0.00 0.00 178.44 180.29 3ig3 h VAL 1812N 1.07 1.09 -0.70 1.22 2.07 -0.26 -0.42 116.25 120.31 3ig3 h VAL 1812Ca 0.23 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3ig3 h VAL 1812Cb 0.30 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3ig3 h VAL 1812CO -0.01 0.12 0.35 -0.08 0.02 0.00 0.00 177.57 177.97 3ig3 h GLU 1813N 0.66 1.01 -0.45 1.57 4.57 -0.54 -0.55 114.58 120.85 3ig3 h GLU 1813Ca 0.20 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3ig3 h GLU 1813Cb -0.02 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 3ig3 h GLU 1813CO -0.07 0.78 0.25 1.96 -1.18 0.00 0.00 179.01 180.75 3ig3 h GLN 1814N 0.98 0.62 -0.80 1.92 1.08 -0.87 -0.87 115.11 117.16 3ig3 h GLN 1814Ca 0.24 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3ig3 h GLN 1814Cb 0.10 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 3ig3 h GLN 1814CO -0.03 0.49 0.53 0.77 -0.95 0.00 0.00 178.83 179.63 3ig3 h SER 1815N 0.59 0.93 -0.41 1.46 0.02 -0.76 -2.49 113.55 112.88 3ig3 h SER 1815Ca 0.16 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3ig3 h SER 1815Cb 0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3ig3 h SER 1815CO -0.03 0.68 0.15 -0.09 -1.14 0.00 0.00 176.83 176.40 3ig3 h ARG 1816N 1.09 0.61 -0.71 3.45 2.43 -0.80 0.39 114.38 120.85 3ig3 h ARG 1816Ca 0.29 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3ig3 h ARG 1816Cb -0.12 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 3ig3 h ARG 1816CO -0.06 0.59 0.47 -0.07 -1.51 0.00 0.00 179.97 179.38 3ig3 h LEU 1817N 0.51 0.70 -3.03 3.80 3.38 -0.82 -3.11 115.31 116.74 3ig3 h LEU 1817Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ig3 h LEU 1817Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ig3 h LEU 1817CO -0.01 0.47 0.00 1.41 0.09 0.00 0.00 178.44 180.40 3ig3 n HIS 1818N -4.47 0.16 -0.22 1.13 8.25 -0.97 -4.79 115.22 114.31 3ig3 n HIS 1818Ca 0.10 -0.84 0.16 0.00 -0.26 0.00 0.00 57.72 56.88 3ig3 n HIS 1818Cb 0.17 -0.14 0.48 0.00 1.12 0.00 0.00 29.99 31.61 3ig3 n HIS 1818CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ig3 h ALA 1819N 0.37 2.08 -0.24 -1.41 0.00 -0.84 -2.13 119.26 117.10 3ig3 h ALA 1819Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ig3 h ALA 1819Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ig3 h ALA 1819CO 0.03 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.04 3ig3 n ASN 1820N -4.51 3.76 0.12 0.00 3.02 -1.26 -4.62 115.26 111.75 3ig3 n ASN 1820Ca 0.17 -3.02 -0.03 0.00 -0.03 0.00 0.00 54.58 51.67 3ig3 n ASN 1820Cb 0.59 -0.53 0.12 0.00 -0.61 0.00 0.00 39.78 39.34 3ig3 n ASN 1820CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3ig3 h ASP 1821N 1.66 0.07 -3.09 6.41 5.19 -1.73 -3.46 116.42 121.46 3ig3 h ASP 1821Ca 0.00 -0.04 -0.65 0.00 -0.62 0.00 0.00 57.03 55.72 3ig3 h ASP 1821Cb 1.40 -0.02 -0.18 0.00 0.18 0.00 0.00 39.33 40.72 3ig3 h ASP 1821CO 0.20 0.72 -0.80 -0.36 -3.12 0.00 0.00 179.24 175.89 3ig3 s PHE 1822N -3.50 2.36 -0.90 4.55 0.08 -1.26 -4.91 117.98 114.39 3ig3 s PHE 1822Ca -0.02 -0.33 -0.22 0.00 0.12 0.00 0.00 56.93 56.48 3ig3 s PHE 1822Cb 0.12 -1.15 0.08 0.00 -0.57 0.00 0.00 43.02 41.49 3ig3 s PHE 1822CO 0.78 0.52 1.25 1.21 -0.10 0.00 0.00 175.22 178.88 3ig3 s ASN 1823N -2.76 6.46 0.27 1.36 3.84 0.64 -4.88 114.94 119.87 3ig3 s ASN 1823Ca 0.22 -1.47 -0.02 0.00 0.21 0.00 0.00 52.86 51.80 3ig3 s ASN 1823Cb -0.08 -2.49 0.42 0.00 -0.55 0.00 0.00 41.25 38.55 3ig3 s ASN 1823CO 0.11 -1.39 1.90 0.58 -2.79 0.00 0.00 177.10 175.51 3ig3 h VAL 1824N 6.26 1.11 -0.76 -5.21 2.07 -1.91 -1.63 116.25 116.18 3ig3 h VAL 1824Ca 0.06 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3ig3 h VAL 1824Cb 1.03 -0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3ig3 h VAL 1824CO 1.27 0.21 0.45 -0.07 0.02 0.00 0.00 177.57 179.45 3ig3 h LEU 1825N 1.17 0.70 -0.51 2.57 3.38 -1.98 0.22 115.31 120.86 3ig3 h LEU 1825Ca 0.41 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 3ig3 h LEU 1825Cb 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3ig3 h LEU 1825CO -0.15 0.45 0.26 0.28 0.09 0.00 0.00 178.44 179.37 3ig3 h SER 1826N 0.84 0.66 -0.62 -0.43 0.02 -1.64 -0.51 113.55 111.87 3ig3 h SER 1826Ca 0.33 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3ig3 h SER 1826Cb 0.17 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3ig3 h SER 1826CO -0.17 0.59 0.31 0.00 -1.14 0.00 0.00 176.83 176.41 3ig3 h ALA 1827N 1.10 0.80 -0.60 3.77 0.00 -0.77 -2.22 119.26 121.34 3ig3 h ALA 1827Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ig3 h ALA 1827Cb 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ig3 h ALA 1827CO -0.02 0.36 0.37 -0.07 0.00 0.00 0.00 179.25 179.88 3ig3 h LEU 1828N 0.85 0.71 -0.42 0.00 4.07 -0.26 -1.04 115.31 119.23 3ig3 h LEU 1828Ca 0.21 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 3ig3 h LEU 1828Cb 0.11 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3ig3 h LEU 1828CO -0.03 0.55 0.14 0.77 -1.08 0.00 0.00 178.44 178.79 3ig3 h SER 1829N 0.81 0.60 -0.63 -0.43 4.64 -0.89 0.08 113.55 117.73 3ig3 h SER 1829Ca 0.22 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3ig3 h SER 1829Cb -0.04 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 3ig3 h SER 1829CO -0.04 0.64 0.40 -0.33 -0.87 0.00 0.00 176.83 176.62 3ig3 h GLU 1830N 0.53 0.76 -0.46 4.77 4.39 -1.24 -2.67 114.58 120.67 3ig3 h GLU 1830Ca 0.14 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 3ig3 h GLU 1830Cb 0.24 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3ig3 h GLU 1830CO -0.01 0.50 -0.09 1.25 -1.16 0.00 0.00 179.01 179.51 3ig3 h LEU 1831N 0.78 0.80 -2.32 1.33 6.46 -0.90 -2.81 115.31 118.66 3ig3 h LEU 1831Ca 0.25 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3ig3 h LEU 1831Cb -0.00 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 3ig3 h LEU 1831CO -0.09 0.92 0.01 0.22 -0.62 0.00 0.00 178.44 178.88 3ig3 h TYR 1832N 0.74 0.00 -0.94 1.25 5.03 -0.63 -1.65 116.97 120.78 3ig3 h TYR 1832Ca 0.13 0.00 0.27 0.00 2.58 0.00 0.00 58.73 61.71 3ig3 h TYR 1832Cb 0.57 0.00 -0.14 0.00 1.55 0.00 0.00 36.73 38.71 3ig3 h TYR 1832CO 0.03 0.00 0.42 0.35 -1.32 0.00 0.00 178.16 177.64 3ig3 h PHE 1833N 0.00 0.68 0.00 -3.82 3.57 -1.43 0.37 116.94 116.31 3ig3 h PHE 1833Ca 0.01 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 3ig3 h PHE 1833Cb 0.03 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3ig3 h PHE 1833CO 0.00 -0.15 -0.45 1.88 -2.23 0.00 0.00 178.31 177.36 3ig3 h TYR 1834N 0.32 0.00 -0.19 0.41 0.05 -1.49 -2.36 116.97 113.70 3ig3 h TYR 1834Ca 0.63 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.42 3ig3 h TYR 1834Cb 1.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 3ig3 h TYR 1834CO -0.12 0.45 0.12 0.28 -1.05 0.00 0.00 178.16 177.83 3ig3 h VAL 1835N 0.00 1.03 -0.00 -2.88 2.07 -1.01 -2.39 116.25 113.06 3ig3 h VAL 1835Ca -0.00 -0.08 -0.20 0.00 0.82 0.00 0.00 66.70 67.24 3ig3 h VAL 1835Cb 1.14 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ig3 h VAL 1835CO 0.06 0.04 -0.87 0.71 0.02 0.00 0.00 177.57 177.54 3ig3 h THR 1836N 0.24 1.47 -0.05 2.57 1.35 -1.36 0.29 112.91 117.42 3ig3 h THR 1836Ca 0.07 -2.54 -0.08 0.00 -0.55 0.00 0.00 66.41 63.31 3ig3 h THR 1836Cb -0.01 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 3ig3 h THR 1836CO -0.03 0.74 -0.34 0.50 -0.25 0.00 0.00 175.52 176.14 3ig3 h LYS 1837N 0.13 0.09 0.00 4.72 3.64 -1.42 -3.11 116.57 120.62 3ig3 h LYS 1837Ca -0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3ig3 h LYS 1837Cb 1.49 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.25 3ig3 h LYS 1837CO 0.14 0.43 -0.55 0.66 -2.27 0.00 0.00 179.45 177.85 3ig3 n TYR 1838N -4.11 0.00 -0.37 1.91 4.01 -0.90 -4.87 117.16 112.83 3ig3 n TYR 1838Ca -0.02 -1.35 -0.07 0.00 -0.16 0.00 0.00 57.90 56.30 3ig3 n TYR 1838Cb 0.40 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 3ig3 n TYR 1838CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3ig3 h ARG 1839N 0.97 -0.04 -0.42 -0.72 2.43 -0.35 -1.09 114.38 115.16 3ig3 h ARG 1839Ca -0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3ig3 h ARG 1839Cb 1.11 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 3ig3 h ARG 1839CO 0.01 -0.03 0.07 1.96 -1.51 0.00 0.00 179.97 180.47 3ig3 h GLN 1840N -0.04 0.69 -0.09 0.20 4.20 -1.88 -1.77 115.11 116.42 3ig3 h GLN 1840Ca 0.24 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3ig3 h GLN 1840Cb 0.51 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3ig3 h GLN 1840CO -0.92 0.73 0.05 0.93 -0.67 0.00 0.00 178.83 178.95 3ig3 h GLU 1841N 0.54 0.13 0.22 1.46 3.07 -1.82 -1.57 114.58 116.61 3ig3 h GLU 1841Ca 0.13 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3ig3 h GLU 1841Cb 0.37 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 3ig3 h GLU 1841CO 0.01 0.18 -0.32 0.82 -1.40 0.00 0.00 179.01 178.30 3ig3 h ILE 1842N 0.05 0.33 -0.98 3.13 1.08 -1.11 -1.15 117.51 118.86 3ig3 h ILE 1842Ca 0.03 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.61 3ig3 h ILE 1842Cb 0.09 0.33 -0.08 0.00 -3.07 0.00 0.00 36.82 34.09 3ig3 h ILE 1842CO -0.00 0.00 0.62 -0.07 -0.69 0.00 0.00 178.15 178.01 3ig3 h LEU 1843N -0.60 0.91 -0.26 1.44 3.38 -1.27 -0.10 115.31 118.81 3ig3 h LEU 1843Ca 0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ig3 h LEU 1843Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ig3 h LEU 1843CO -0.12 0.51 0.10 0.74 0.09 0.00 0.00 178.44 179.76 3ig3 h THR 1844N 0.99 1.18 -0.79 0.22 2.02 -0.92 -1.92 112.91 113.69 3ig3 h THR 1844Ca 0.47 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3ig3 h THR 1844Cb 0.43 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3ig3 h THR 1844CO -0.23 0.18 0.37 0.28 0.37 0.00 0.00 175.52 176.50 3ig3 h SER 1845N 0.27 1.03 0.31 4.18 0.02 -0.19 -0.71 113.55 118.46 3ig3 h SER 1845Ca 0.09 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3ig3 h SER 1845Cb 0.19 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3ig3 h SER 1845CO -0.01 0.87 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.23 3ig3 h LEU 1846N 1.12 0.00 0.01 5.07 3.38 -0.87 -1.30 115.31 122.71 3ig3 h LEU 1846Ca 0.27 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.03 3ig3 h LEU 1846Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3ig3 h LEU 1846CO -0.03 0.26 -1.02 -0.78 0.09 0.00 0.00 178.44 176.96 3ig3 h ASP 1847N 0.00 0.02 0.13 -0.43 1.82 -0.53 -3.34 116.42 114.10 3ig3 h ASP 1847Ca -0.00 -0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.41 3ig3 h ASP 1847Cb 0.48 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.50 3ig3 h ASP 1847CO 0.03 1.02 -0.92 -0.09 -1.61 0.00 0.00 179.24 177.67 3ig3 h ARG 1848N 0.00 0.27 -6.49 0.28 2.43 -0.68 -3.46 114.38 106.73 3ig3 h ARG 1848Ca -0.02 -0.46 -0.53 0.00 -0.81 0.00 0.00 59.98 58.16 3ig3 h ARG 1848Cb 1.78 0.17 0.02 0.00 -0.42 0.00 0.00 29.97 31.52 3ig3 h ARG 1848CO 0.13 1.22 0.82 0.34 -1.51 0.00 0.00 179.97 180.97 3ig3 s ASP 1849N -6.95 6.76 0.18 -3.80 2.15 -0.54 -4.93 116.67 109.54 3ig3 s ASP 1849Ca -0.16 2.34 -0.13 0.00 0.43 0.00 0.00 52.55 55.03 3ig3 s ASP 1849Cb 0.02 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 40.14 3ig3 s ASP 1849CO 0.81 -0.73 1.83 0.00 -0.17 0.00 0.00 175.17 176.90 3ig3 h ALA 1850N 7.33 0.73 -0.07 3.66 0.00 -1.90 -2.50 119.26 126.51 3ig3 h ALA 1850Ca -0.41 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3ig3 h ALA 1850Cb 1.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ig3 h ALA 1850CO 0.89 0.19 -0.41 0.66 0.00 0.00 0.00 179.25 180.58 3ig3 h SER 1851N 0.77 0.15 -0.03 0.00 4.64 -1.95 -2.30 113.55 114.83 3ig3 h SER 1851Ca 0.21 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3ig3 h SER 1851Cb -0.05 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3ig3 h SER 1851CO -0.04 0.55 -0.28 0.00 -0.87 0.00 0.00 176.83 176.18 3ig3 h ARG 1853N 0.41 0.74 -1.38 0.00 3.08 -1.19 -1.69 114.38 114.37 3ig3 h ARG 1853Ca 0.06 -0.44 0.43 0.00 0.07 0.00 0.00 59.98 60.10 3ig3 h ARG 1853Cb 0.71 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.68 3ig3 h ARG 1853CO 0.05 1.06 0.91 0.87 -1.07 0.00 0.00 179.97 181.80 3ig3 h LYS 1854N 0.48 0.09 -0.13 0.04 1.57 -1.22 0.30 116.57 117.70 3ig3 h LYS 1854Ca 0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3ig3 h LYS 1854Cb 0.99 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3ig3 h LYS 1854CO 0.09 0.06 -0.05 0.72 -0.57 0.00 0.00 179.45 179.71 3ig3 n HIS 1855N -4.55 0.46 -4.24 -1.35 8.25 -1.17 -5.00 115.22 107.62 3ig3 n HIS 1855Ca 0.36 -1.05 -0.37 0.00 -0.26 0.00 0.00 57.72 56.40 3ig3 n HIS 1855Cb 1.45 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 32.25 3ig3 n HIS 1855CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3ig3 n LYS 1856N -1.04 -0.69 0.06 -0.41 2.85 0.10 -4.84 118.16 114.19 3ig3 n LYS 1856Ca 0.20 0.08 -0.04 0.00 -1.05 0.00 0.00 58.31 57.50 3ig3 n LYS 1856Cb 0.78 -3.20 0.17 0.00 -0.65 0.00 0.00 35.03 32.14 3ig3 n LYS 1856CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3ig3 h LEU 1857N -2.10 0.37 0.10 -5.58 3.38 -1.56 -2.89 115.31 107.03 3ig3 h LEU 1857Ca -0.68 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.14 3ig3 h LEU 1857Cb 1.40 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3ig3 h LEU 1857CO 0.65 0.76 -0.18 -0.09 0.09 0.00 0.00 178.44 179.66 3ig3 h ARG 1858N 0.29 -0.34 -0.50 1.13 9.65 -1.82 -1.04 114.38 121.75 3ig3 h ARG 1858Ca 0.02 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3ig3 h ARG 1858Cb 0.87 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 3ig3 h ARG 1858CO 0.07 -0.23 0.29 1.96 2.80 0.00 0.00 179.97 184.87 3ig3 h GLN 1859N -0.35 0.67 -0.40 0.20 7.50 -1.93 -0.94 115.11 119.86 3ig3 h GLN 1859Ca 0.03 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.05 3ig3 h GLN 1859Cb 0.37 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.74 3ig3 h GLN 1859CO -0.10 0.48 -0.03 0.87 -1.50 0.00 0.00 178.83 178.55 3ig3 h LYS 1860N 0.68 0.73 -0.57 1.46 1.57 -1.25 -1.92 116.57 117.26 3ig3 h LYS 1860Ca 0.18 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3ig3 h LYS 1860Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3ig3 h LYS 1860CO -0.03 0.83 -0.05 1.25 -0.57 0.00 0.00 179.45 180.88 3ig3 h LEU 1861N 0.55 1.03 -0.62 2.94 6.46 -0.76 -2.62 115.31 122.30 3ig3 h LEU 1861Ca 0.11 -0.33 0.08 0.00 -0.12 0.00 0.00 57.88 57.62 3ig3 h LEU 1861Cb 0.52 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.11 3ig3 h LEU 1861CO 0.03 1.11 0.28 -0.33 -0.62 0.00 0.00 178.44 178.91 3ig3 h GLU 1862N 0.92 0.50 -0.82 1.25 4.39 -1.08 -0.88 114.58 118.87 3ig3 h GLU 1862Ca 0.15 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3ig3 h GLU 1862Cb 0.61 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 3ig3 h GLU 1862CO 0.04 0.33 0.50 0.37 -1.16 0.00 0.00 179.01 179.09 3ig3 h GLN 1863N 0.51 1.11 -0.25 2.33 4.15 -1.11 -2.11 115.11 119.74 3ig3 h GLN 1863Ca 0.30 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 3ig3 h GLN 1863Cb 0.29 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3ig3 h GLN 1863CO -0.24 0.78 0.11 0.82 -1.93 0.00 0.00 178.83 178.37 3ig3 h ILE 1864N 1.12 1.15 -0.95 2.39 2.04 -1.00 0.14 117.51 122.40 3ig3 h ILE 1864Ca 0.29 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.77 3ig3 h ILE 1864Cb -0.05 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3ig3 h ILE 1864CO -0.06 0.15 0.62 0.40 0.00 0.00 0.00 178.15 179.26 3ig3 h ILE 1865N 0.26 1.06 -0.10 -0.67 2.04 -0.86 -1.65 117.51 117.60 3ig3 h ILE 1865Ca 0.08 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3ig3 h ILE 1865Cb 0.14 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3ig3 h ILE 1865CO -0.01 0.20 -0.27 0.74 0.00 0.00 0.00 178.15 178.81 3ig3 h THR 1866N 1.08 1.40 -0.95 -0.27 2.02 -1.11 -3.32 112.91 111.76 3ig3 h THR 1866Ca 0.41 -1.60 0.02 0.00 0.77 0.00 0.00 66.41 66.02 3ig3 h THR 1866Cb 0.21 2.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.75 3ig3 h THR 1866CO -0.16 0.46 0.62 0.25 0.37 0.00 0.00 175.52 177.06 3ig3 h LEU 1867N -0.09 1.06 -1.34 2.58 5.85 -0.13 -2.08 115.31 121.16 3ig3 h LEU 1867Ca -0.01 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3ig3 h LEU 1867Cb 0.89 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3ig3 h LEU 1867CO 0.06 0.74 -0.32 1.62 -0.34 0.00 0.00 178.44 180.20 3ig3 h VAL 1868N 1.23 1.09 0.02 1.05 3.04 -1.42 -2.97 116.25 118.29 3ig3 h VAL 1868Ca 0.36 -1.16 -0.24 0.00 -1.01 0.00 0.00 66.70 64.65 3ig3 h VAL 1868Cb -0.06 1.65 0.02 0.00 -2.01 0.00 0.00 31.29 30.89 3ig3 h VAL 1868CO -0.10 0.32 -0.96 0.28 -1.01 0.00 0.00 177.57 176.09 3ig3 h SER 1869N 0.00 0.82 -3.50 3.17 0.02 -1.48 -3.43 113.55 109.15 3ig3 h SER 1869Ca -0.00 -0.76 -0.50 0.00 -0.84 0.00 0.00 61.79 59.69 3ig3 h SER 1869Cb 0.63 -0.25 0.21 0.00 0.14 0.00 0.00 62.40 63.13 3ig3 h SER 1869CO 0.04 1.47 -0.27 -1.54 -1.14 0.00 0.00 176.83 175.39 3ig3 n SER 1870N -3.94 -1.24 0.00 3.07 3.41 -1.04 -5.11 113.62 108.77 3ig3 n SER 1870Ca -0.11 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3ig3 n SER 1870Cb 0.85 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3ig3 n SER 1870CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34