#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrq n ILE 1306N 0.00 -5.69 -1.53 3.84 0.13 -1.26 -4.81 119.36 110.04 3hrq n ILE 1306Ca 0.00 -0.90 -0.57 0.00 -1.10 0.00 0.00 62.75 60.18 3hrq n ILE 1306Cb 0.00 -4.23 -0.07 0.00 -0.84 0.00 0.00 39.64 34.49 3hrq n ILE 1306CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3hrq n LYS 1307N -4.15 0.33 -2.72 9.51 4.76 -1.26 -4.91 118.16 119.72 3hrq n LYS 1307Ca -0.10 0.12 -0.34 0.00 -2.87 0.00 0.00 58.31 55.13 3hrq n LYS 1307Cb 0.59 -1.66 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 3hrq n LYS 1307CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hrq s THR 1308N 0.26 4.17 0.08 -0.18 -4.23 -1.26 -4.97 115.64 109.50 3hrq s THR 1308Ca 0.90 1.37 0.02 0.00 -1.18 0.00 0.00 61.69 62.79 3hrq s THR 1308Cb -1.19 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 69.09 3hrq s THR 1308CO 0.55 -0.27 0.07 0.35 -0.54 0.00 0.00 174.62 174.78 3hrq n THR 1309N -0.70 0.00 0.19 3.99 -2.24 0.14 -4.97 114.28 110.70 3hrq n THR 1309Ca 0.08 -0.56 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 3hrq n THR 1309Cb 0.53 0.29 0.55 0.00 -2.10 0.00 0.00 70.33 69.60 3hrq n THR 1309CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hrq h THR 1310N 1.25 1.06 -0.08 4.28 2.02 -1.75 -2.85 112.91 116.84 3hrq h THR 1310Ca -0.06 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3hrq h THR 1310Cb 0.28 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3hrq h THR 1310CO 0.08 0.08 0.00 0.35 0.37 0.00 0.00 175.52 176.40 3hrq n THR 1311N -4.46 0.15 -3.65 3.16 -2.24 -1.26 -4.65 114.28 101.34 3hrq n THR 1311Ca -0.02 -0.57 -0.28 0.00 -2.27 0.00 0.00 64.05 60.91 3hrq n THR 1311Cb 0.14 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 3hrq n THR 1311CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hrq s LEU 1312N -1.18 0.95 -0.13 3.22 0.20 -1.08 -4.77 118.68 115.89 3hrq s LEU 1312Ca 0.19 -1.03 -0.12 0.00 0.69 0.00 0.00 54.13 53.86 3hrq s LEU 1312Cb 0.13 -0.48 -0.25 0.00 -0.43 0.00 0.00 46.19 45.16 3hrq s LEU 1312CO 0.19 -0.37 0.39 0.45 -0.29 0.00 0.00 176.35 176.72 3hrq h HIS 1313N 8.31 0.40 -2.96 5.38 3.86 -1.20 0.41 115.15 129.35 3hrq h HIS 1313Ca -0.17 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 58.72 3hrq h HIS 1313Cb 1.08 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.40 3hrq h HIS 1313CO 0.26 1.68 0.16 -0.98 0.86 0.00 0.00 177.93 179.91 3hrq s ARG 1314N -2.51 1.21 -0.23 2.45 1.70 -0.81 -4.85 118.95 115.91 3hrq s ARG 1314Ca -0.23 -0.43 -0.21 0.00 -0.47 0.00 0.00 55.73 54.40 3hrq s ARG 1314Cb 0.06 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.98 3hrq s ARG 1314CO 0.74 -0.51 0.64 0.08 -1.08 0.00 0.00 175.30 175.17 3hrq s VAL 1315N -3.46 4.99 -0.09 4.99 1.01 -1.26 0.44 120.40 127.02 3hrq s VAL 1315Ca -0.00 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 3hrq s VAL 1315Cb -0.00 -3.94 -0.26 0.00 0.00 0.00 0.00 36.38 32.17 3hrq s VAL 1315CO -0.10 0.05 0.49 0.58 0.00 0.00 0.00 175.10 176.12 3hrq h VAL 1316N 5.33 0.73 -2.07 2.92 2.07 -0.51 -3.48 116.25 121.25 3hrq h VAL 1316Ca -0.28 -2.47 -0.06 0.00 0.82 0.00 0.00 66.70 64.71 3hrq h VAL 1316Cb 1.13 2.52 -0.20 0.00 -1.52 0.00 0.00 31.29 33.22 3hrq h VAL 1316CO 0.78 0.80 0.13 -0.70 0.02 0.00 0.00 177.57 178.59 3hrq s GLU 1317N -2.57 0.92 -0.29 1.57 2.12 -0.78 -4.98 118.70 114.69 3hrq s GLU 1317Ca -0.17 0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.78 3hrq s GLU 1317Cb 0.07 0.44 0.17 0.00 0.26 0.00 0.00 34.13 35.07 3hrq s GLU 1317CO 0.79 -0.21 0.46 -2.00 -0.54 0.00 0.00 175.26 173.76 3hrq s GLU 1318N -0.42 0.45 -0.19 4.30 2.12 -1.26 0.32 118.70 124.01 3hrq s GLU 1318Ca -0.06 0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.57 3hrq s GLU 1318Cb -0.03 -0.16 0.04 0.00 0.26 0.00 0.00 34.13 34.24 3hrq s GLU 1318CO 0.05 -1.00 -0.13 0.95 -0.54 0.00 0.00 175.26 174.60 3hrq s THR 1319N 2.62 1.76 -0.05 -1.70 -4.23 -0.56 -4.99 115.64 108.49 3hrq s THR 1319Ca 0.10 -0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 59.56 3hrq s THR 1319Cb -0.12 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 3hrq s THR 1319CO -0.28 0.28 0.22 -0.89 -0.54 0.00 0.00 174.62 173.41 3hrq s THR 1320N 1.37 5.37 0.14 3.99 2.01 -1.26 -1.31 115.64 125.94 3hrq s THR 1320Ca 0.00 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.27 3hrq s THR 1320Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3hrq s THR 1320CO -0.09 0.51 0.14 2.29 -0.69 0.00 0.00 174.62 176.78 3hrq n LYS 1321N 1.59 0.20 -0.05 4.92 2.85 -0.33 -4.99 118.16 122.35 3hrq n LYS 1321Ca -0.16 -1.27 -0.11 0.00 -1.05 0.00 0.00 58.31 55.72 3hrq n LYS 1321Cb 0.54 1.10 -0.05 0.00 -0.65 0.00 0.00 35.03 35.97 3hrq n LYS 1321CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 3hrq h PRO 1322N 0.00 0.29 -0.94 -1.58 0.13 -1.98 -3.27 132.00 124.64 3hrq h PRO 1322Ca -0.10 -0.08 -0.54 0.00 -0.87 0.00 0.00 66.00 64.42 3hrq h PRO 1322Cb 0.48 -0.04 -0.29 0.00 0.13 0.00 0.00 31.00 31.29 3hrq h PRO 1322CO 0.14 0.45 0.63 1.28 -0.23 0.00 0.00 178.00 180.27 3hrq n LEU 1323N -4.78 6.77 0.00 1.56 4.77 -1.26 -4.51 117.00 119.54 3hrq n LEU 1323Ca -0.05 -3.83 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 3hrq n LEU 1323Cb 0.18 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3hrq n LEU 1323CO 0.36 1.20 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 3hrq n GLY 1324N -1.08 0.56 3.60 -0.72 0.00 -1.24 -3.35 105.19 102.97 3hrq n GLY 1324Ca 0.58 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 3hrq n GLY 1324CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrq s ALA 1325N -1.00 -1.84 -0.00 4.61 0.00 -1.03 -1.19 121.76 121.31 3hrq s ALA 1325Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3hrq s ALA 1325Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3hrq s ALA 1325CO 0.00 -0.82 -0.02 0.99 0.00 0.00 0.00 175.76 175.92 3hrq s THR 1326N -3.03 0.14 -0.08 0.00 2.01 -0.43 -1.60 115.64 112.65 3hrq s THR 1326Ca 0.08 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 3hrq s THR 1326Cb -0.01 -0.13 0.03 0.00 0.01 0.00 0.00 72.50 72.41 3hrq s THR 1326CO -0.05 0.04 0.00 -0.22 -0.69 0.00 0.00 174.62 173.71 3hrq s LEU 1327N 0.02 0.63 -0.17 4.42 2.96 0.07 -1.49 118.68 125.13 3hrq s LEU 1327Ca 0.00 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3hrq s LEU 1327Cb -0.01 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.23 3hrq s LEU 1327CO -0.00 -0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.96 3hrq s VAL 1328N 1.96 2.31 0.34 1.68 1.01 0.15 -0.27 120.40 127.58 3hrq s VAL 1328Ca 0.05 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.25 3hrq s VAL 1328Cb -0.13 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 3hrq s VAL 1328CO -0.06 0.53 -0.06 0.68 0.00 0.00 0.00 175.10 176.19 3hrq s VAL 1329N 1.11 2.38 0.04 2.92 -7.23 -0.36 0.25 120.40 119.51 3hrq s VAL 1329Ca 0.00 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 3hrq s VAL 1329Cb -0.14 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 3hrq s VAL 1329CO -0.07 -0.20 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.70 3hrq s GLU 1330N -3.64 0.76 -0.08 4.82 2.12 0.17 -1.52 118.70 121.33 3hrq s GLU 1330Ca 0.33 -0.71 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 3hrq s GLU 1330Cb 0.01 -0.70 0.04 0.00 0.26 0.00 0.00 34.13 33.74 3hrq s GLU 1330CO 0.17 0.17 0.07 0.99 -0.54 0.00 0.00 175.26 176.12 3hrq s THR 1331N -0.94 -0.09 -0.68 -1.70 2.01 -0.34 -0.94 115.64 112.97 3hrq s THR 1331Ca -0.02 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.00 3hrq s THR 1331Cb -0.08 -0.28 0.06 0.00 0.01 0.00 0.00 72.50 72.21 3hrq s THR 1331CO 0.01 0.05 1.03 -0.62 -0.69 0.00 0.00 174.62 174.40 3hrq s ASP 1332N 2.16 6.18 0.00 3.53 -1.08 -1.26 -0.90 116.67 125.29 3hrq s ASP 1332Ca 0.04 -0.92 0.10 0.00 -0.52 0.00 0.00 52.55 51.25 3hrq s ASP 1332Cb -0.13 -2.44 0.60 0.00 -1.46 0.00 0.00 42.92 39.49 3hrq s ASP 1332CO -0.05 -1.50 1.04 2.30 0.52 0.00 0.00 175.17 177.47 3hrq n ILE 1333N 6.00 0.00 0.32 4.11 -5.35 -0.75 -1.84 119.36 121.84 3hrq n ILE 1333Ca -0.02 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.57 3hrq n ILE 1333Cb 0.46 -0.61 -0.03 0.00 -1.74 0.00 0.00 39.64 37.73 3hrq n ILE 1333CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3hrq n SER 1334N -0.84 0.55 -4.67 7.28 7.64 -1.26 -3.60 113.62 118.72 3hrq n SER 1334Ca 0.08 -0.02 -0.45 0.00 1.01 0.00 0.00 58.87 59.49 3hrq n SER 1334Cb 0.03 0.95 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 3hrq n SER 1334CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3hrq n ARG 1335N -2.23 2.13 -0.03 1.43 0.63 -0.77 -4.54 116.66 113.28 3hrq n ARG 1335Ca 0.00 0.76 0.24 0.00 -0.92 0.00 0.00 57.85 57.93 3hrq n ARG 1335Cb 0.50 -2.48 0.72 0.00 0.45 0.00 0.00 32.46 31.65 3hrq n ARG 1335CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3hrq h LYS 1336N 5.00 0.00 0.00 -0.14 1.57 -1.92 0.45 116.57 121.53 3hrq h LYS 1336Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hrq h LYS 1336Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3hrq h LYS 1336CO 0.82 0.00 -0.04 0.38 -0.57 0.00 0.00 179.45 180.04 3hrq h ASP 1337N 0.00 0.00 0.00 0.86 2.03 -1.96 -3.37 116.42 113.98 3hrq h ASP 1337Ca 0.30 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 3hrq h ASP 1337Cb 1.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 3hrq h ASP 1337CO -0.00 0.00 -0.20 0.55 -1.03 0.00 0.00 179.24 178.56 3hrq n VAL 1338N -2.51 0.00 -0.00 4.15 3.14 -0.06 -4.80 118.33 118.25 3hrq n VAL 1338Ca 0.05 -0.25 -0.10 0.00 -2.96 0.00 0.00 64.34 61.08 3hrq n VAL 1338Cb 0.46 0.82 -0.04 0.00 -1.06 0.00 0.00 33.84 34.02 3hrq n VAL 1338CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 3hrq h ASN 1339N 0.00 -0.20 -0.95 6.55 -1.24 -0.27 -0.33 115.58 119.14 3hrq h ASN 1339Ca 0.00 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.09 3hrq h ASN 1339Cb 0.00 0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.11 3hrq h ASN 1339CO 0.00 -0.08 0.63 1.23 -1.29 0.00 0.00 177.43 177.91 3hrq h GLY 1340N -0.05 1.38 1.54 1.57 0.00 -1.83 -2.32 103.07 103.36 3hrq h GLY 1340Ca 0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3hrq h GLY 1340CO -0.15 0.41 -0.21 -2.00 0.00 0.00 0.00 176.54 174.59 3hrq h LEU 1341N 1.21 0.53 -0.65 3.11 5.85 -1.71 -2.53 115.31 121.12 3hrq h LEU 1341Ca 0.38 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hrq h LEU 1341Cb -0.00 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hrq h LEU 1341CO -0.11 0.75 0.00 0.00 -0.34 0.00 0.00 178.44 178.74 3hrq n ALA 1342N -2.49 1.69 -3.10 1.25 0.00 -0.19 -3.75 120.51 113.92 3hrq n ALA 1342Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3hrq n ALA 1342Cb 0.39 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3hrq n ALA 1342CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hrq n ARG 1343N -2.22 4.18 -0.03 0.00 1.74 -0.95 -3.36 116.66 116.01 3hrq n ARG 1343Ca 0.02 -4.54 -0.15 0.00 -0.77 0.00 0.00 57.85 52.41 3hrq n ARG 1343Cb 0.24 -2.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.07 3hrq n ARG 1343CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3hrq h GLY 1344N 5.61 0.23 -2.65 -0.13 0.00 -1.48 -3.39 103.07 101.24 3hrq h GLY 1344Ca 0.20 -0.34 -0.60 0.00 0.00 0.00 0.00 47.33 46.58 3hrq h GLY 1344CO 1.24 0.30 -0.73 0.30 0.00 0.00 0.00 176.54 177.66 3hrq s HIS 1345N -3.46 2.48 -0.13 5.60 3.76 -1.10 -1.52 115.29 120.91 3hrq s HIS 1345Ca -0.15 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.46 3hrq s HIS 1345Cb 0.02 -1.12 0.04 0.00 1.11 0.00 0.00 32.58 32.62 3hrq s HIS 1345CO 0.74 0.63 -0.02 -1.17 -0.85 0.00 0.00 174.74 174.06 3hrq s LEU 1346N -3.34 1.12 -0.18 0.89 2.96 0.08 -0.57 118.68 119.64 3hrq s LEU 1346Ca 0.28 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3hrq s LEU 1346Cb -0.06 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 45.96 3hrq s LEU 1346CO 0.16 -0.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.13 3hrq s VAL 1347N 1.80 1.95 -1.47 1.68 1.01 -0.46 -0.96 120.40 123.96 3hrq s VAL 1347Ca 0.03 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 3hrq s VAL 1347Cb -0.14 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.48 3hrq s VAL 1347CO -0.07 0.44 0.99 0.47 0.00 0.00 0.00 175.10 176.93 3hrq n ASP 1348N 4.63 -4.58 0.00 3.32 8.00 -1.26 -1.05 116.55 125.61 3hrq n ASP 1348Ca -0.19 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3hrq n ASP 1348Cb 0.49 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 3hrq n ASP 1348CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrq n GLY 1349N -1.73 1.20 3.62 0.44 0.00 -1.26 -5.00 105.19 102.46 3hrq n GLY 1349Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3hrq n GLY 1349CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrq s ILE 1350N -3.32 5.31 0.38 -0.61 1.01 -0.22 -5.07 121.20 118.67 3hrq s ILE 1350Ca 0.00 0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 3hrq s ILE 1350Cb 0.00 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 3hrq s ILE 1350CO 0.00 0.27 1.17 -2.16 0.00 0.00 0.00 174.94 174.22 3hrq s PRO 1351N 1.54 4.17 0.00 2.79 0.04 -1.26 -1.35 135.00 140.93 3hrq s PRO 1351Ca 0.08 1.85 0.02 0.00 0.04 0.00 0.00 61.00 63.00 3hrq s PRO 1351Cb -0.15 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 3hrq s PRO 1351CO 0.09 -0.22 -0.08 -0.51 0.04 0.00 0.00 177.00 176.32 3hrq s LEU 1352N -2.30 2.04 0.04 -3.56 1.43 0.26 -4.18 118.68 112.42 3hrq s LEU 1352Ca 0.55 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.22 3hrq s LEU 1352Cb -0.31 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 3hrq s LEU 1352CO 0.40 0.06 0.74 0.00 0.23 0.00 0.00 176.35 177.78 3hrq s THR 1354N -0.09 4.88 0.48 0.00 -4.23 -1.26 -4.68 115.64 110.73 3hrq s THR 1354Ca 0.37 0.39 0.20 0.00 -1.18 0.00 0.00 61.69 61.48 3hrq s THR 1354Cb -0.20 -3.74 0.38 0.00 1.34 0.00 0.00 72.50 70.27 3hrq s THR 1354CO 0.22 -0.47 1.96 -0.65 -0.54 0.00 0.00 174.62 175.14 3hrq h PRO 1355N 1.33 0.21 0.00 3.99 0.11 -1.97 0.11 132.00 135.78 3hrq h PRO 1355Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3hrq h PRO 1355Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hrq h PRO 1355CO 0.64 0.14 -0.03 0.66 -0.21 0.00 0.00 178.00 179.20 3hrq h SER 1356N 0.21 0.00 -0.26 -2.05 4.64 -1.93 -1.31 113.55 112.85 3hrq h SER 1356Ca 0.31 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 3hrq h SER 1356Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3hrq h SER 1356CO -0.06 0.03 0.01 0.15 -0.87 0.00 0.00 176.83 176.09 3hrq h PHE 1357N 0.00 0.49 -0.50 4.77 3.57 -1.07 -1.45 116.94 122.75 3hrq h PHE 1357Ca -0.00 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 3hrq h PHE 1357Cb 0.09 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3hrq h PHE 1357CO 0.00 0.60 -0.02 1.88 -2.23 0.00 0.00 178.31 178.54 3hrq h TYR 1358N 0.24 0.99 -0.87 0.41 0.05 -1.44 -2.97 116.97 113.37 3hrq h TYR 1358Ca 0.07 -0.18 0.07 0.00 0.05 0.00 0.00 58.73 58.74 3hrq h TYR 1358Cb 0.40 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.82 3hrq h TYR 1358CO 0.03 0.93 0.57 0.00 -1.05 0.00 0.00 178.16 178.64 3hrq h ALA 1359N 0.93 1.55 -0.02 3.88 0.00 -1.06 1.00 119.26 125.55 3hrq h ALA 1359Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hrq h ALA 1359Cb 0.55 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hrq h ALA 1359CO 0.03 0.31 0.01 0.22 0.00 0.00 0.00 179.25 179.82 3hrq h ASP 1360N 0.97 0.02 -0.74 0.00 3.58 -1.11 -0.89 116.42 118.25 3hrq h ASP 1360Ca 0.38 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 3hrq h ASP 1360Cb 0.23 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 3hrq h ASP 1360CO -0.14 0.14 0.36 0.40 -2.88 0.00 0.00 179.24 177.13 3hrq h ILE 1361N -0.10 1.24 -0.67 2.25 2.04 -1.29 -2.17 117.51 118.81 3hrq h ILE 1361Ca 0.01 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3hrq h ILE 1361Cb 0.13 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 3hrq h ILE 1361CO -0.00 0.28 0.36 0.00 0.00 0.00 0.00 178.15 178.79 3hrq h ALA 1362N 1.33 0.86 -0.89 1.87 0.00 -0.51 -0.64 119.26 121.29 3hrq h ALA 1362Ca 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hrq h ALA 1362Cb 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hrq h ALA 1362CO -0.03 0.39 0.47 0.52 0.00 0.00 0.00 179.25 180.60 3hrq h MET 1363N 0.92 1.25 0.09 0.00 2.86 -0.76 0.20 114.93 119.50 3hrq h MET 1363Ca 0.24 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3hrq h MET 1363Cb 0.06 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.49 3hrq h MET 1363CO -0.04 0.93 -0.04 1.96 1.06 0.00 0.00 176.91 180.78 3hrq h GLN 1364N 1.25 -0.12 0.00 1.72 4.20 -0.74 0.20 115.11 121.62 3hrq h GLN 1364Ca 0.31 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.96 3hrq h GLN 1364Cb 0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3hrq h GLN 1364CO -0.05 0.18 -0.34 -0.39 -0.67 0.00 0.00 178.83 177.56 3hrq h VAL 1365N -0.42 0.93 0.10 -0.54 -1.51 -1.11 -2.25 116.25 111.46 3hrq h VAL 1365Ca -0.01 -1.34 -0.00 0.00 -1.23 0.00 0.00 66.70 64.11 3hrq h VAL 1365Cb 0.35 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3hrq h VAL 1365CO 0.02 0.34 -0.05 1.23 -1.23 0.00 0.00 177.57 177.88 3hrq h GLY 1366N 1.67 -0.14 0.72 5.19 0.00 -0.82 -2.00 103.07 107.70 3hrq h GLY 1366Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.44 3hrq h GLY 1366CO 0.04 -0.05 0.61 1.46 0.00 0.00 0.00 176.54 178.60 3hrq h GLN 1367N -0.77 1.07 0.25 4.80 4.20 -0.60 -0.26 115.11 123.79 3hrq h GLN 1367Ca -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3hrq h GLN 1367Cb 0.57 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3hrq h GLN 1367CO 0.02 0.71 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.85 3hrq h TYR 1368N 1.10 -0.31 -0.65 2.96 3.20 -1.45 -1.52 116.97 120.31 3hrq h TYR 1368Ca 0.41 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.30 3hrq h TYR 1368Cb 0.18 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3hrq h TYR 1368CO -0.01 -0.12 0.40 0.77 -1.64 0.00 0.00 178.16 177.55 3hrq h SER 1369N -0.43 0.66 0.63 -2.11 0.02 -0.97 -1.68 113.55 109.67 3hrq h SER 1369Ca -0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3hrq h SER 1369Cb 0.33 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.73 3hrq h SER 1369CO 0.06 0.46 -0.30 -0.03 -1.14 0.00 0.00 176.83 175.87 3hrq h MET 1370N 0.79 -0.82 0.00 3.45 1.85 -0.95 -2.30 114.93 116.95 3hrq h MET 1370Ca 0.26 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.40 3hrq h MET 1370Cb 0.01 0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.23 3hrq h MET 1370CO -0.10 -0.53 0.00 1.96 -0.40 0.00 0.00 176.91 177.84 3hrq h GLN 1371N -0.90 0.00 0.17 0.39 4.20 -1.24 -3.00 115.11 114.72 3hrq h GLN 1371Ca -0.09 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.30 3hrq h GLN 1371Cb 0.67 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.46 3hrq h GLN 1371CO 0.14 0.00 -1.58 -0.09 -0.67 0.00 0.00 178.83 176.64 3hrq h ARG 1372N 0.00 0.36 -0.21 1.46 2.43 -0.99 -3.33 114.38 114.10 3hrq h ARG 1372Ca 0.00 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3hrq h ARG 1372Cb 0.21 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3hrq h ARG 1372CO 0.00 1.26 0.00 1.28 -1.51 0.00 0.00 179.97 181.00 3hrq n LEU 1373N -3.56 1.12 -4.29 3.80 4.32 -0.89 -4.88 117.00 112.61 3hrq n LEU 1373Ca -0.19 -0.56 -0.16 0.00 -0.02 0.00 0.00 56.01 55.08 3hrq n LEU 1373Cb 1.07 -0.14 -0.10 0.00 -1.62 0.00 0.00 43.42 42.63 3hrq n LEU 1373CO 0.53 0.28 -0.42 -0.13 -1.22 0.00 0.00 177.39 176.43 3hrq s ARG 1374N -1.72 1.18 -0.35 3.23 0.52 -1.23 -3.62 118.95 116.95 3hrq s ARG 1374Ca 0.14 -1.52 0.09 0.00 -0.52 0.00 0.00 55.73 53.92 3hrq s ARG 1374Cb 0.07 -0.83 0.69 0.00 0.52 0.00 0.00 34.95 35.40 3hrq s ARG 1374CO 0.09 0.11 1.78 0.00 0.02 0.00 0.00 175.30 177.30 3hrq n ALA 1375N -0.28 4.73 -1.00 2.13 0.00 -1.26 -4.97 120.51 119.86 3hrq n ALA 1375Ca -0.09 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.76 3hrq n ALA 1375Cb 0.61 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3hrq n ALA 1375CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrq n GLY 1376N -0.56 -2.78 0.00 0.00 0.00 -1.26 -5.24 105.19 95.36 3hrq n GLY 1376Ca 0.44 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hrq n GLY 1376CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrq n GLY 1385N 0.42 3.67 3.69 -0.02 0.00 -1.26 -5.22 105.19 106.47 3hrq n GLY 1385Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3hrq n GLY 1385CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrq s LEU 1386N 0.00 4.28 -0.23 0.99 1.43 -1.26 -5.02 118.68 118.87 3hrq s LEU 1386Ca 0.00 1.58 -0.08 0.00 -1.03 0.00 0.00 54.13 54.60 3hrq s LEU 1386Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 3hrq s LEU 1386CO 0.00 -0.41 0.09 -0.69 0.23 0.00 0.00 176.35 175.57 3hrq s VAL 1387N 1.78 4.71 -0.23 -1.59 1.01 -1.26 -1.85 120.40 122.98 3hrq s VAL 1387Ca 0.50 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 3hrq s VAL 1387Cb -0.19 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3hrq s VAL 1387CO 0.21 0.37 0.07 -0.62 0.00 0.00 0.00 175.10 175.12 3hrq s ASP 1388N 1.15 5.23 -0.82 3.32 -1.08 0.11 -4.58 116.67 120.00 3hrq s ASP 1388Ca 0.05 -0.14 -0.21 0.00 -0.52 0.00 0.00 52.55 51.73 3hrq s ASP 1388Cb -0.14 -1.93 0.10 0.00 -1.46 0.00 0.00 42.92 39.49 3hrq s ASP 1388CO 0.04 0.02 1.08 -0.69 0.52 0.00 0.00 175.17 176.13 3hrq s VAL 1389N 1.30 4.52 0.40 1.11 1.01 -0.66 -0.63 120.40 127.45 3hrq s VAL 1389Ca 0.05 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3hrq s VAL 1389Cb -0.15 -4.76 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 3hrq s VAL 1389CO 0.03 -1.51 0.38 -0.94 0.00 0.00 0.00 175.10 173.07 3hrq s SER 1390N 3.74 5.19 -1.53 3.32 1.04 -0.18 -2.48 113.70 122.81 3hrq s SER 1390Ca 0.29 -0.64 -0.06 0.00 0.48 0.00 0.00 55.95 56.02 3hrq s SER 1390Cb -0.10 -0.68 0.05 0.00 0.10 0.00 0.00 66.02 65.40 3hrq s SER 1390CO -0.01 -0.60 0.44 0.47 0.98 0.00 0.00 173.24 174.52 3hrq n ASP 1391N -1.55 -0.92 -4.67 7.02 8.00 -0.22 -0.46 116.55 123.75 3hrq n ASP 1391Ca 0.03 -1.07 -0.43 0.00 0.71 0.00 0.00 54.79 54.03 3hrq n ASP 1391Cb 0.61 -2.65 -0.02 0.00 -0.02 0.00 0.00 41.12 39.04 3hrq n ASP 1391CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3hrq s MET 1392N -6.84 4.28 -0.13 -1.24 -2.45 -0.33 -4.08 119.30 108.50 3hrq s MET 1392Ca 0.23 1.60 0.01 0.00 -1.25 0.00 0.00 55.69 56.27 3hrq s MET 1392Cb -0.13 -3.68 0.02 0.00 1.25 0.00 0.00 34.83 32.29 3hrq s MET 1392CO 0.93 -0.61 -0.13 0.08 1.05 0.00 0.00 175.02 176.33 3hrq s VAL 1393N 3.06 1.43 -0.33 10.11 1.01 0.25 -2.14 120.40 133.78 3hrq s VAL 1393Ca 0.53 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3hrq s VAL 1393Cb -0.21 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3hrq s VAL 1393CO 0.15 0.43 0.17 -0.69 0.00 0.00 0.00 175.10 175.16 3hrq s VAL 1394N 1.39 4.56 -0.21 2.92 1.01 -1.04 -1.34 120.40 127.69 3hrq s VAL 1394Ca 0.02 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 3hrq s VAL 1394Cb -0.13 -3.41 -0.19 0.00 0.00 0.00 0.00 36.38 32.65 3hrq s VAL 1394CO -0.08 -0.04 0.09 0.47 0.00 0.00 0.00 175.10 175.55 3hrq n ASP 1395N 4.98 1.95 -3.99 3.32 8.00 0.12 -4.94 116.55 125.99 3hrq n ASP 1395Ca -0.13 0.31 -0.18 0.00 0.71 0.00 0.00 54.79 55.49 3hrq n ASP 1395Cb 0.48 -0.87 -0.15 0.00 -0.02 0.00 0.00 41.12 40.57 3hrq n ASP 1395CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hrq s LYS 1396N -2.45 0.69 0.51 -1.24 1.02 -0.87 -5.06 119.74 112.33 3hrq s LYS 1396Ca -0.30 -0.26 -0.23 0.00 0.02 0.00 0.00 55.97 55.21 3hrq s LYS 1396Cb 0.08 -0.66 -0.07 0.00 -0.52 0.00 0.00 37.83 36.66 3hrq s LYS 1396CO 0.61 0.13 1.31 0.00 -0.92 0.00 0.00 175.35 176.48 3hrq n ALA 1397N 3.08 1.45 -3.82 5.17 0.00 -1.26 -4.58 120.51 120.55 3hrq n ALA 1397Ca -0.15 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 3hrq n ALA 1397Cb 0.56 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.55 3hrq n ALA 1397CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hrq s LEU 1398N -2.79 3.04 -0.39 0.00 2.96 -1.26 -4.99 118.68 115.25 3hrq s LEU 1398Ca 0.68 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 3hrq s LEU 1398Cb -0.44 -1.62 0.06 0.00 0.50 0.00 0.00 46.19 44.68 3hrq s LEU 1398CO 0.52 -0.11 0.20 -0.69 -1.32 0.00 0.00 176.35 174.96 3hrq s VAL 1399N 1.30 4.18 -0.68 1.68 1.01 -1.26 -1.41 120.40 125.22 3hrq s VAL 1399Ca 0.00 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 3hrq s VAL 1399Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3hrq s VAL 1399CO -0.06 -0.36 1.96 -2.84 0.00 0.00 0.00 175.10 173.80 3hrq s PRO 1400N 1.45 2.51 0.34 2.72 0.02 -1.26 -4.83 135.00 135.95 3hrq s PRO 1400Ca 0.02 0.47 0.11 0.00 0.02 0.00 0.00 61.00 61.61 3hrq s PRO 1400Cb -0.21 -4.59 0.60 0.00 0.02 0.00 0.00 34.50 30.32 3hrq s PRO 1400CO 0.03 -3.01 1.76 1.12 -0.33 0.00 0.00 177.00 176.57 3hrq h HIS 1401N 14.47 0.07 -0.01 6.54 2.07 -1.95 -3.47 115.15 132.87 3hrq h HIS 1401Ca -0.16 -0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.34 3hrq h HIS 1401Cb 1.13 -0.02 -0.00 0.00 2.57 0.00 0.00 27.41 31.09 3hrq h HIS 1401CO 1.08 0.47 -0.00 0.41 -3.07 0.00 0.00 177.93 176.82 3hrq n GLY 1402N -0.29 0.34 3.18 6.13 0.00 -1.26 -4.93 105.19 108.35 3hrq n GLY 1402Ca -0.02 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 3hrq n GLY 1402CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hrq n LYS 1403N -1.61 3.90 0.00 1.61 4.01 -1.26 -4.97 118.16 119.84 3hrq n LYS 1403Ca -0.00 -4.35 0.00 0.00 -0.51 0.00 0.00 58.31 53.44 3hrq n LYS 1403Cb 0.18 -2.62 0.00 0.00 -0.51 0.00 0.00 35.03 32.08 3hrq n LYS 1403CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hrq n GLY 1404N 2.30 -2.23 3.78 0.72 0.00 -1.26 -4.91 105.19 103.59 3hrq n GLY 1404Ca 0.27 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 3hrq n GLY 1404CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hrq s PRO 1405N -0.30 4.20 -0.31 1.61 0.04 -1.26 -4.72 135.00 134.25 3hrq s PRO 1405Ca 0.00 2.45 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 3hrq s PRO 1405Cb 0.00 -3.00 0.11 0.00 0.04 0.00 0.00 34.50 31.64 3hrq s PRO 1405CO 0.00 -0.41 0.13 -1.14 0.04 0.00 0.00 177.00 175.62 3hrq s GLN 1406N -1.99 0.49 -0.34 4.56 0.74 -1.26 -4.89 119.66 116.98 3hrq s GLN 1406Ca 0.51 -0.92 -0.25 0.00 0.05 0.00 0.00 55.36 54.75 3hrq s GLN 1406Cb -0.44 -1.55 0.01 0.00 1.10 0.00 0.00 33.01 32.12 3hrq s GLN 1406CO 0.60 -1.04 0.90 -0.51 -0.55 0.00 0.00 175.29 174.68 3hrq s LEU 1407N 1.69 4.03 -0.32 3.68 1.43 -1.23 -1.82 118.68 126.13 3hrq s LEU 1407Ca 0.11 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 3hrq s LEU 1407Cb -0.18 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3hrq s LEU 1407CO -0.26 -0.76 0.23 -0.22 0.23 0.00 0.00 176.35 175.57 3hrq s LEU 1408N 3.29 4.39 -0.17 1.79 2.96 -0.08 -0.35 118.68 130.51 3hrq s LEU 1408Ca 0.37 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 3hrq s LEU 1408Cb -0.13 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 3hrq s LEU 1408CO 0.16 -0.19 0.06 -0.13 -1.32 0.00 0.00 176.35 174.93 3hrq s ARG 1409N 1.73 3.91 -0.20 1.98 0.52 0.11 -1.19 118.95 125.81 3hrq s ARG 1409Ca 0.06 -0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 3hrq s ARG 1409Cb -0.17 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 3hrq s ARG 1409CO 0.11 0.32 -0.02 0.99 0.02 0.00 0.00 175.30 176.72 3hrq s THR 1410N 0.23 3.74 -0.20 0.02 2.01 -0.57 -1.78 115.64 119.08 3hrq s THR 1410Ca 0.04 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 3hrq s THR 1410Cb -0.12 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.71 3hrq s THR 1410CO 0.00 0.44 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.36 3hrq s THR 1411N 1.00 2.71 -0.11 -0.82 2.01 -0.26 -1.23 115.64 118.95 3hrq s THR 1411Ca 0.01 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3hrq s THR 1411Cb -0.14 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3hrq s THR 1411CO 0.01 0.47 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.12 3hrq s LEU 1412N 1.38 3.11 0.00 4.42 0.20 0.62 -1.20 118.68 127.21 3hrq s LEU 1412Ca 0.05 -0.12 0.03 0.00 0.69 0.00 0.00 54.13 54.78 3hrq s LEU 1412Cb -0.14 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 3hrq s LEU 1412CO -0.08 0.26 -0.09 0.42 -0.29 0.00 0.00 176.35 176.57 3hrq s THR 1413N -0.18 0.68 0.18 3.68 -4.23 0.05 -0.75 115.64 115.07 3hrq s THR 1413Ca 0.02 -0.47 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 3hrq s THR 1413Cb -0.13 -0.59 -0.05 0.00 1.34 0.00 0.00 72.50 73.07 3hrq s THR 1413CO 0.03 0.12 -0.05 -0.04 -0.54 0.00 0.00 174.62 174.14 3hrq s MET 1414N -0.39 1.17 -0.01 3.99 -1.94 -0.62 -1.44 119.30 120.06 3hrq s MET 1414Ca 0.02 -1.55 -0.11 0.00 -1.71 0.00 0.00 55.69 52.34 3hrq s MET 1414Cb -0.04 -0.57 0.01 0.00 2.01 0.00 0.00 34.83 36.24 3hrq s MET 1414CO -0.00 -0.02 0.23 -1.21 -0.01 0.00 0.00 175.02 174.01 3hrq s GLU 1415N -3.81 0.58 -0.09 2.03 2.02 -1.26 -2.47 118.70 115.69 3hrq s GLU 1415Ca 0.22 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 3hrq s GLU 1415Cb 0.04 0.25 0.12 0.00 0.10 0.00 0.00 34.13 34.64 3hrq s GLU 1415CO 0.04 -0.15 0.97 1.67 0.02 0.00 0.00 175.26 177.81 3hrq s TRP 1416N -1.33 -0.34 0.57 1.61 -2.14 -1.21 -4.89 118.94 111.21 3hrq s TRP 1416Ca -0.14 0.40 -0.21 0.00 2.66 0.00 0.00 56.10 58.81 3hrq s TRP 1416Cb -0.06 0.49 -0.04 0.00 -3.10 0.00 0.00 33.47 30.76 3hrq s TRP 1416CO 0.03 -0.42 1.34 -2.14 -2.66 0.00 0.00 176.95 173.10 3hrq s PRO 1417N -2.11 3.00 0.62 3.25 0.02 -1.26 -4.42 135.00 134.10 3hrq s PRO 1417Ca 0.02 2.19 0.26 0.00 0.02 0.00 0.00 61.00 63.49 3hrq s PRO 1417Cb -0.01 -2.15 1.31 0.00 0.02 0.00 0.00 34.50 33.66 3hrq s PRO 1417CO -0.04 -1.28 1.74 -1.35 -0.33 0.00 0.00 177.00 175.74 3hrq h PRO 1418N 1.23 0.00 0.27 5.54 0.11 -1.98 -3.09 132.00 134.09 3hrq h PRO 1418Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hrq h PRO 1418Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3hrq h PRO 1418CO 0.56 0.00 -0.13 0.87 -0.21 0.00 0.00 178.00 179.09 3hrq h LYS 1419N 0.00 -0.35 -2.75 1.05 1.57 -1.91 -3.47 116.57 110.71 3hrq h LYS 1419Ca 0.16 0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3hrq h LYS 1419Cb 1.32 0.08 -0.23 0.00 0.08 0.00 0.00 32.23 33.49 3hrq h LYS 1419CO -0.00 -0.23 -0.21 0.00 -0.57 0.00 0.00 179.45 178.44 3hrq s ALA 1420N -3.78 -1.03 -0.68 3.86 0.00 -1.17 -5.03 121.76 113.93 3hrq s ALA 1420Ca -0.05 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.10 3hrq s ALA 1420Cb 0.01 -0.44 -0.11 0.00 0.00 0.00 0.00 23.12 22.58 3hrq s ALA 1420CO 0.16 -0.23 0.90 0.00 0.00 0.00 0.00 175.76 176.59 3hrq n ALA 1421N 2.29 3.84 0.12 0.00 0.00 -1.26 -4.26 120.51 121.24 3hrq n ALA 1421Ca -0.16 -0.50 0.03 0.00 0.00 0.00 0.00 53.44 52.81 3hrq n ALA 1421Cb 0.57 -0.86 0.13 0.00 0.00 0.00 0.00 19.45 19.28 3hrq n ALA 1421CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrq n ALA 1422N -1.76 1.15 1.10 0.00 0.00 -1.24 -1.44 120.51 118.32 3hrq n ALA 1422Ca 0.02 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3hrq n ALA 1422Cb 0.41 -1.08 0.15 0.00 0.00 0.00 0.00 19.45 18.93 3hrq n ALA 1422CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hrq n THR 1423N -1.59 0.00 -1.76 0.00 -2.24 -1.26 -4.87 114.28 102.56 3hrq n THR 1423Ca 0.01 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 3hrq n THR 1423Cb 0.04 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 3hrq n THR 1423CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hrq s THR 1424N -2.25 2.25 0.00 4.28 2.01 -0.52 -4.90 115.64 116.51 3hrq s THR 1424Ca 0.25 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.36 3hrq s THR 1424Cb 0.19 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.64 3hrq s THR 1424CO 0.44 0.01 0.90 0.54 -0.69 0.00 0.00 174.62 175.81 3hrq n ARG 1425N 4.36 2.22 -3.65 4.92 1.74 -1.26 -4.91 116.66 120.08 3hrq n ARG 1425Ca 0.16 -1.30 -0.10 0.00 -0.77 0.00 0.00 57.85 55.83 3hrq n ARG 1425Cb 0.36 -1.00 -0.04 0.00 -1.02 0.00 0.00 32.46 30.77 3hrq n ARG 1425CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hrq s SER 1426N -0.80 -0.30 -0.12 0.55 1.04 -1.26 -0.41 113.70 112.39 3hrq s SER 1426Ca 0.00 -0.35 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 3hrq s SER 1426Cb 0.00 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.71 3hrq s SER 1426CO 0.00 -0.97 0.48 0.00 0.98 0.00 0.00 173.24 173.73 3hrq s ALA 1427N -3.83 -1.21 0.06 5.32 0.00 -0.15 -4.78 121.76 117.17 3hrq s ALA 1427Ca 0.06 1.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 3hrq s ALA 1427Cb -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 3hrq s ALA 1427CO -0.08 -0.26 0.61 0.15 0.00 0.00 0.00 175.76 176.18 3hrq s LYS 1428N -0.38 4.29 -0.03 0.00 -0.14 -0.52 -1.15 119.74 121.81 3hrq s LYS 1428Ca -0.05 0.80 0.03 0.00 -1.36 0.00 0.00 55.97 55.38 3hrq s LYS 1428Cb -0.03 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 3hrq s LYS 1428CO 0.03 0.54 -0.10 0.08 -0.76 0.00 0.00 175.35 175.15 3hrq s VAL 1429N -0.82 0.85 0.04 3.17 1.01 0.10 -0.77 120.40 123.97 3hrq s VAL 1429Ca 0.31 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3hrq s VAL 1429Cb -0.20 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3hrq s VAL 1429CO 0.19 0.26 -0.15 -0.54 0.00 0.00 0.00 175.10 174.87 3hrq s LYS 1430N 0.18 0.99 -0.15 2.72 1.02 -0.34 -1.32 119.74 122.84 3hrq s LYS 1430Ca -0.03 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.22 3hrq s LYS 1430Cb -0.09 -1.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 3hrq s LYS 1430CO 0.01 0.25 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.44 3hrq s PHE 1431N -0.81 2.48 -0.03 3.18 0.40 0.40 -1.10 117.98 122.50 3hrq s PHE 1431Ca 0.02 -1.32 -0.16 0.00 -0.60 0.00 0.00 56.93 54.87 3hrq s PHE 1431Cb -0.08 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.75 3hrq s PHE 1431CO 0.01 -0.65 0.35 0.00 0.70 0.00 0.00 175.22 175.64 3hrq s ALA 1432N 1.08 -0.89 0.03 5.36 0.00 -0.73 -0.52 121.76 126.09 3hrq s ALA 1432Ca -0.02 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 3hrq s ALA 1432Cb -0.14 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3hrq s ALA 1432CO -0.06 -0.27 0.34 0.95 0.00 0.00 0.00 175.76 176.72 3hrq s THR 1433N -1.21 5.18 0.08 0.00 -4.23 0.09 0.05 115.64 115.60 3hrq s THR 1433Ca -0.12 0.39 0.05 0.00 -1.18 0.00 0.00 61.69 60.83 3hrq s THR 1433Cb -0.05 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 3hrq s THR 1433CO 0.05 0.37 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.05 3hrq s TYR 1434N -1.30 1.25 0.79 3.99 2.02 0.52 0.95 117.35 125.58 3hrq s TYR 1434Ca 0.29 -0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 56.41 3hrq s TYR 1434Cb -0.14 -0.70 0.10 0.00 -0.40 0.00 0.00 41.96 40.82 3hrq s TYR 1434CO 0.16 0.07 1.13 -0.06 -1.57 0.00 0.00 175.55 175.28 3hrq s PHE 1435N -1.42 2.63 -0.49 2.71 0.40 -1.26 -3.55 117.98 117.00 3hrq s PHE 1435Ca -0.00 0.50 -0.29 0.00 -0.60 0.00 0.00 56.93 56.55 3hrq s PHE 1435Cb -0.09 -3.47 0.02 0.00 0.51 0.00 0.00 43.02 39.99 3hrq s PHE 1435CO 0.02 -1.79 1.31 0.00 0.70 0.00 0.00 175.22 175.46 3hrq s ALA 1436N -3.49 3.01 -0.94 5.36 0.00 -1.26 -4.95 121.76 119.49 3hrq s ALA 1436Ca 0.64 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 3hrq s ALA 1436Cb -0.09 -3.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 3hrq s ALA 1436CO 0.48 -2.54 0.81 -0.25 0.00 0.00 0.00 175.76 174.26 3hrq n ASP 1437N 8.70 -4.93 -4.75 0.00 9.92 -1.26 -5.23 116.55 119.00 3hrq n ASP 1437Ca 0.13 -0.59 -0.41 0.00 -0.53 0.00 0.00 54.79 53.39 3hrq n ASP 1437Cb 0.49 -4.54 -0.02 0.00 -0.64 0.00 0.00 41.12 36.41 3hrq n ASP 1437CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hrq s LEU 1440N -5.24 4.37 -0.16 0.64 2.96 -1.26 -5.27 118.68 114.71 3hrq s LEU 1440Ca 0.29 2.82 -0.14 0.00 -0.22 0.00 0.00 54.13 56.88 3hrq s LEU 1440Cb -0.04 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 3hrq s LEU 1440CO 0.63 -0.78 -0.29 -0.67 -1.32 0.00 0.00 176.35 173.92 3hrq n ASP 1441N 1.88 1.73 -3.61 3.68 -0.08 0.27 -4.77 116.55 115.65 3hrq n ASP 1441Ca 0.06 0.29 -0.11 0.00 -1.51 0.00 0.00 54.79 53.52 3hrq n ASP 1441Cb 0.39 -0.67 -0.06 0.00 2.34 0.00 0.00 41.12 43.12 3hrq n ASP 1441CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3hrq s THR 1442N -2.64 0.00 -0.32 5.18 2.01 -1.09 -4.98 115.64 113.79 3hrq s THR 1442Ca -0.26 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 3hrq s THR 1442Cb 0.06 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 3hrq s THR 1442CO 0.37 0.00 0.42 -1.61 -0.69 0.00 0.00 174.62 173.11 3hrq s GLU 1443N -0.17 3.75 -0.21 4.92 2.02 -1.26 -0.73 118.70 127.02 3hrq s GLU 1443Ca 0.01 -0.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.74 3hrq s GLU 1443Cb -0.04 -3.75 -0.20 0.00 0.10 0.00 0.00 34.13 30.25 3hrq s GLU 1443CO -0.02 -0.47 0.04 0.72 0.02 0.00 0.00 175.26 175.55 3hrq n HIS 1444N 5.48 0.65 -3.93 1.61 8.25 0.32 -4.18 115.22 123.42 3hrq n HIS 1444Ca -0.07 0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 3hrq n HIS 1444Cb 0.50 -1.08 -0.02 0.00 1.12 0.00 0.00 29.99 30.51 3hrq n HIS 1444CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hrq s ALA 1445N -2.50 -0.36 0.08 -1.41 0.00 -0.99 0.11 121.76 116.69 3hrq s ALA 1445Ca -0.30 -0.87 -0.21 0.00 0.00 0.00 0.00 51.96 50.58 3hrq s ALA 1445Cb 0.09 0.93 0.05 0.00 0.00 0.00 0.00 23.12 24.18 3hrq s ALA 1445CO 0.63 -0.92 0.50 -1.54 0.00 0.00 0.00 175.76 174.44 3hrq s SER 1446N -3.06 -0.41 0.18 0.00 1.04 -0.45 -0.46 113.70 110.54 3hrq s SER 1446Ca 0.20 0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.43 3hrq s SER 1446Cb -0.03 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.65 3hrq s SER 1446CO 0.12 -0.79 0.80 0.00 0.98 0.00 0.00 173.24 174.35 3hrq s THR 1448N -3.59 2.20 0.06 0.00 2.01 0.39 -0.72 115.64 115.98 3hrq s THR 1448Ca 0.09 -1.17 -0.24 0.00 0.31 0.00 0.00 61.69 60.68 3hrq s THR 1448Cb -0.03 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.35 3hrq s THR 1448CO 0.00 0.32 0.74 0.68 -0.69 0.00 0.00 174.62 175.67 3hrq s VAL 1449N 1.23 4.69 -0.02 3.82 -7.23 -0.30 -1.00 120.40 121.59 3hrq s VAL 1449Ca -0.00 1.57 0.05 0.00 -1.81 0.00 0.00 61.98 61.80 3hrq s VAL 1449Cb -0.16 -4.09 -0.01 0.00 0.56 0.00 0.00 36.38 32.69 3hrq s VAL 1449CO -0.09 0.41 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.79 3hrq s ARG 1450N -0.30 1.59 -0.89 4.82 0.52 0.20 -0.98 118.95 123.91 3hrq s ARG 1450Ca 0.37 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.79 3hrq s ARG 1450Cb -0.21 -1.47 0.20 0.00 0.52 0.00 0.00 34.95 33.99 3hrq s ARG 1450CO 0.23 0.34 0.92 -0.06 0.02 0.00 0.00 175.30 176.74 3hrq s PHE 1451N -0.26 3.61 0.71 -0.53 0.08 0.45 0.10 117.98 122.14 3hrq s PHE 1451Ca 0.03 -1.88 -0.05 0.00 0.12 0.00 0.00 56.93 55.15 3hrq s PHE 1451Cb -0.09 -3.97 0.09 0.00 -0.57 0.00 0.00 43.02 38.48 3hrq s PHE 1451CO 0.00 -1.14 1.01 -0.08 -0.10 0.00 0.00 175.22 174.91 3hrq s THR 1452N 0.83 2.27 0.71 0.64 -1.32 -0.77 -4.86 115.64 113.14 3hrq s THR 1452Ca 0.24 -0.38 -0.03 0.00 -1.21 0.00 0.00 61.69 60.31 3hrq s THR 1452Cb -0.08 -2.90 0.11 0.00 -1.51 0.00 0.00 72.50 68.11 3hrq s THR 1452CO -0.09 0.00 0.99 -0.94 -2.21 0.00 0.00 174.62 172.37 3hrq s SER 1453N -4.60 4.48 -0.15 8.08 1.04 -1.26 -4.32 113.70 116.98 3hrq s SER 1453Ca 0.63 -0.11 0.17 0.00 0.48 0.00 0.00 55.95 57.12 3hrq s SER 1453Cb -0.09 -0.38 0.74 0.00 0.10 0.00 0.00 66.02 66.40 3hrq s SER 1453CO 0.45 -1.76 1.65 -0.90 0.98 0.00 0.00 173.24 173.65 3hrq n ASP 1454N -2.84 4.99 -0.05 7.02 5.68 -1.26 -4.49 116.55 125.60 3hrq n ASP 1454Ca 0.13 -2.57 -0.08 0.00 -0.50 0.00 0.00 54.79 51.76 3hrq n ASP 1454Cb 0.60 -0.61 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 3hrq n ASP 1454CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hrq h ALA 1455N 4.11 0.20 -0.49 2.12 0.00 -1.99 -0.38 119.26 122.83 3hrq h ALA 1455Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hrq h ALA 1455Cb 1.59 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3hrq h ALA 1455CO 0.30 -0.42 0.21 0.37 0.00 0.00 0.00 179.25 179.71 3hrq h GLN 1456N 0.07 0.72 -0.24 0.00 4.15 -2.00 -1.53 115.11 116.29 3hrq h GLN 1456Ca 0.11 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.45 3hrq h GLN 1456Cb 0.14 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 3hrq h GLN 1456CO -0.18 0.64 -0.01 1.25 -1.93 0.00 0.00 178.83 178.59 3hrq h LEU 1457N 0.65 -0.11 -1.11 -2.39 5.85 -1.75 0.22 115.31 116.66 3hrq h LEU 1457Ca 0.16 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hrq h LEU 1457Cb 0.17 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3hrq h LEU 1457CO -0.02 -0.03 0.60 0.11 -0.34 0.00 0.00 178.44 178.77 3hrq h LYS 1458N 0.06 1.19 -0.31 1.25 1.57 -0.89 -0.43 116.57 119.01 3hrq h LYS 1458Ca 0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3hrq h LYS 1458Cb 0.15 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3hrq h LYS 1458CO -0.20 0.79 0.08 1.03 -0.57 0.00 0.00 179.45 180.58 3hrq h SER 1459N 1.22 0.46 -0.76 0.86 0.87 -0.42 -2.59 113.55 113.20 3hrq h SER 1459Ca 0.33 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3hrq h SER 1459Cb -0.14 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 3hrq h SER 1459CO -0.07 0.56 0.43 -0.07 -0.53 0.00 0.00 176.83 177.15 3hrq h LEU 1460N 0.34 0.95 -1.24 2.23 3.38 -0.03 -1.98 115.31 118.96 3hrq h LEU 1460Ca 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hrq h LEU 1460Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hrq h LEU 1460CO -0.00 0.76 0.12 0.03 0.09 0.00 0.00 178.44 179.43 3hrq h ARG 1461N 1.07 0.64 0.00 1.13 3.08 -0.88 -1.59 114.38 117.83 3hrq h ARG 1461Ca 0.27 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3hrq h ARG 1461Cb 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3hrq h ARG 1461CO -0.05 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 3hrq h ARG 1462N 0.63 0.00 -0.44 0.04 3.08 -0.98 -2.99 114.38 113.73 3hrq h ARG 1462Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3hrq h ARG 1462Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3hrq h ARG 1462CO -0.01 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.32 3hrq n SER 1463N -2.79 3.45 -0.06 7.04 7.64 -0.63 -4.60 113.62 123.67 3hrq n SER 1463Ca 0.02 -1.97 -0.07 0.00 1.01 0.00 0.00 58.87 57.86 3hrq n SER 1463Cb 0.33 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 3hrq n SER 1463CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3hrq h VAL 1464N 4.10 0.63 -0.21 0.44 2.07 -1.31 -0.97 116.25 121.01 3hrq h VAL 1464Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3hrq h VAL 1464Cb 0.94 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hrq h VAL 1464CO 0.00 0.00 0.14 0.77 0.02 0.00 0.00 177.57 178.50 3hrq h SER 1465N -0.08 0.18 -0.33 0.57 4.64 -1.84 0.46 113.55 117.15 3hrq h SER 1465Ca 0.13 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 3hrq h SER 1465Cb 0.28 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3hrq h SER 1465CO -0.30 0.12 -0.28 -0.08 -0.87 0.00 0.00 176.83 175.42 3hrq h GLU 1466N 0.21 0.77 -0.52 4.77 4.81 -1.54 -1.37 114.58 121.71 3hrq h GLU 1466Ca 0.08 -0.39 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 3hrq h GLU 1466Cb 0.09 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3hrq h GLU 1466CO -0.02 1.02 -0.08 1.88 -0.73 0.00 0.00 179.01 181.08 3hrq h TYR 1467N 0.54 1.09 -0.95 0.92 0.05 -0.36 -2.16 116.97 116.10 3hrq h TYR 1467Ca 0.06 -0.22 0.03 0.00 0.05 0.00 0.00 58.73 58.65 3hrq h TYR 1467Cb 0.86 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 38.27 3hrq h TYR 1467CO 0.07 1.01 0.62 0.87 -1.05 0.00 0.00 178.16 179.68 3hrq h LYS 1468N 0.85 1.16 -0.48 4.88 1.79 -0.81 -1.08 116.57 122.88 3hrq h LYS 1468Ca 0.14 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 3hrq h LYS 1468Cb 0.63 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 3hrq h LYS 1468CO 0.04 0.77 0.01 1.15 -1.08 0.00 0.00 179.45 180.34 3hrq h THR 1469N 1.20 1.26 -0.56 -0.16 2.02 -1.00 0.91 112.91 116.58 3hrq h THR 1469Ca 0.38 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.52 3hrq h THR 1469Cb -0.01 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3hrq h THR 1469CO -0.12 0.37 0.37 0.45 0.37 0.00 0.00 175.52 176.95 3hrq h HIS 1470N 0.71 0.69 -0.24 3.16 3.86 -0.80 0.69 115.15 123.22 3hrq h HIS 1470Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3hrq h HIS 1470Cb 0.49 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3hrq h HIS 1470CO 0.04 0.43 0.10 0.82 0.86 0.00 0.00 177.93 180.17 3hrq h ILE 1471N 0.74 1.16 -0.91 2.45 2.04 -0.99 -2.13 117.51 119.87 3hrq h ILE 1471Ca 0.21 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3hrq h ILE 1471Cb -0.06 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3hrq h ILE 1471CO -0.06 0.16 0.60 -0.09 0.00 0.00 0.00 178.15 178.77 3hrq h ARG 1472N 0.24 1.17 -0.15 2.37 2.43 -0.44 -2.15 114.38 117.85 3hrq h ARG 1472Ca 0.08 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3hrq h ARG 1472Cb 0.16 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3hrq h ARG 1472CO -0.01 0.77 -0.20 1.96 -1.51 0.00 0.00 179.97 180.99 3hrq h GLN 1473N 1.21 0.26 -0.38 0.20 4.20 -0.62 -0.46 115.11 119.52 3hrq h GLN 1473Ca 0.35 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.87 3hrq h GLN 1473Cb -0.09 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3hrq h GLN 1473CO -0.09 0.46 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.27 3hrq h LEU 1474N 0.24 0.82 -0.88 1.46 3.38 -0.77 -0.72 115.31 118.85 3hrq h LEU 1474Ca 0.04 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 3hrq h LEU 1474Cb 0.50 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3hrq h LEU 1474CO 0.03 1.05 -0.25 0.45 0.09 0.00 0.00 178.44 179.82 3hrq h HIS 1475N 0.59 0.62 -0.18 1.13 3.86 -1.02 -1.79 115.15 118.36 3hrq h HIS 1475Ca 0.08 -0.13 -0.12 0.00 -1.16 0.00 0.00 60.37 59.04 3hrq h HIS 1475Cb 0.75 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3hrq h HIS 1475CO 0.06 0.75 -0.41 -0.44 0.86 0.00 0.00 177.93 178.75 3hrq h ASP 1476N 0.48 0.43 -0.37 2.45 3.32 -0.92 -1.42 116.42 120.40 3hrq h ASP 1476Ca 0.07 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3hrq h ASP 1476Cb 0.69 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hrq h ASP 1476CO 0.05 0.79 0.02 1.23 -1.72 0.00 0.00 179.24 179.62 3hrq h GLY 1477N 1.14 0.68 1.01 2.75 0.00 -0.74 -2.79 103.07 105.13 3hrq h GLY 1477Ca 0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3hrq h GLY 1477CO 0.07 0.45 0.39 0.84 0.00 0.00 0.00 176.54 178.29 3hrq h HIS 1478N 0.46 0.97 0.00 5.60 -0.00 -1.15 0.13 115.15 121.15 3hrq h HIS 1478Ca 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3hrq h HIS 1478Cb 0.43 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 3hrq h HIS 1478CO 0.03 0.68 0.00 0.00 -0.00 0.00 0.00 177.93 178.65 3hrq n ALA 1479N -2.34 1.14 0.01 5.26 0.00 -0.55 -0.65 120.51 123.38 3hrq n ALA 1479Ca 0.06 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.64 3hrq n ALA 1479Cb 0.09 -1.19 0.11 0.00 0.00 0.00 0.00 19.45 18.46 3hrq n ALA 1479CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hrq n LYS 1480N -1.88 2.15 -1.03 0.00 5.02 -0.60 -4.98 118.16 116.84 3hrq n LYS 1480Ca -0.00 -1.73 -0.01 0.00 -2.02 0.00 0.00 58.31 54.55 3hrq n LYS 1480Cb 0.05 -1.23 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3hrq n LYS 1480CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hrq n GLY 1481N 0.47 0.48 0.09 0.72 0.00 0.17 -4.95 105.19 102.17 3hrq n GLY 1481Ca 0.09 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 3hrq n GLY 1481CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hrq h GLN 1482N 0.37 0.10 -6.12 1.61 4.20 -1.19 -3.48 115.11 110.60 3hrq h GLN 1482Ca -0.02 -0.17 -0.56 0.00 0.06 0.00 0.00 58.65 57.96 3hrq h GLN 1482Cb 0.09 0.06 -0.18 0.00 0.30 0.00 0.00 27.48 27.75 3hrq h GLN 1482CO 0.03 0.82 -0.79 -0.06 -0.67 0.00 0.00 178.83 178.15 3hrq s PHE 1483N -2.61 1.96 0.26 2.96 0.08 -1.24 -4.93 117.98 114.46 3hrq s PHE 1483Ca -0.08 -0.43 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 3hrq s PHE 1483Cb 0.08 -0.97 -0.09 0.00 -0.57 0.00 0.00 43.02 41.47 3hrq s PHE 1483CO 0.82 0.39 0.94 -1.64 -0.10 0.00 0.00 175.22 175.63 3hrq s MET 1484N -2.81 4.78 -0.15 0.44 -1.94 -1.13 -4.45 119.30 114.04 3hrq s MET 1484Ca 0.18 1.44 0.00 0.00 -1.71 0.00 0.00 55.69 55.60 3hrq s MET 1484Cb -0.06 -3.15 0.02 0.00 2.01 0.00 0.00 34.83 33.65 3hrq s MET 1484CO 0.08 0.45 -0.15 0.50 -0.01 0.00 0.00 175.02 175.89 3hrq s ARG 1485N -1.42 2.42 -0.18 2.03 3.52 -1.26 -0.56 118.95 123.49 3hrq s ARG 1485Ca 0.43 -0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 55.36 3hrq s ARG 1485Cb -0.24 -2.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 3hrq s ARG 1485CO 0.30 -0.23 0.05 0.71 -0.81 0.00 0.00 175.30 175.31 3hrq s TYR 1486N 1.45 3.22 0.51 5.12 2.02 0.25 -4.94 117.35 124.98 3hrq s TYR 1486Ca 0.05 0.02 -0.17 0.00 -0.37 0.00 0.00 57.07 56.60 3hrq s TYR 1486Cb -0.13 -2.06 -0.08 0.00 -0.40 0.00 0.00 41.96 39.29 3hrq s TYR 1486CO -0.11 0.13 0.99 -0.80 -1.57 0.00 0.00 175.55 174.19 3hrq s ASN 1487N 0.36 6.61 0.10 2.29 0.01 -1.26 -1.74 114.94 121.31 3hrq s ASN 1487Ca 0.02 1.60 -0.18 0.00 -0.71 0.00 0.00 52.86 53.58 3hrq s ASN 1487Cb -0.13 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 3hrq s ASN 1487CO 0.00 -0.59 1.30 -1.14 -1.51 0.00 0.00 177.10 175.16 3hrq n ARG 1488N -1.51 -0.26 0.05 -0.60 0.63 -0.65 -1.11 116.66 113.21 3hrq n ARG 1488Ca 0.07 1.29 0.02 0.00 -0.92 0.00 0.00 57.85 58.30 3hrq n ARG 1488Cb 0.54 -1.90 0.37 0.00 0.45 0.00 0.00 32.46 31.91 3hrq n ARG 1488CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3hrq h LYS 1489N 0.00 0.41 -0.22 -0.14 1.57 -1.89 -2.05 116.57 114.26 3hrq h LYS 1489Ca 0.10 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3hrq h LYS 1489Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3hrq h LYS 1489CO -0.56 0.43 -0.52 1.15 -0.57 0.00 0.00 179.45 179.39 3hrq h THR 1490N 0.40 1.31 -0.36 -0.16 2.02 -1.79 -0.65 112.91 113.68 3hrq h THR 1490Ca 0.09 -1.74 -0.05 0.00 0.77 0.00 0.00 66.41 65.48 3hrq h THR 1490Cb 0.25 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3hrq h THR 1490CO 0.01 0.55 0.05 1.23 0.37 0.00 0.00 175.52 177.72 3hrq h GLY 1491N 1.01 0.65 1.80 2.16 0.00 -0.64 -0.61 103.07 107.45 3hrq h GLY 1491Ca 0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3hrq h GLY 1491CO 0.10 0.41 -0.33 -0.97 0.00 0.00 0.00 176.54 175.75 3hrq h TYR 1492N 0.44 0.26 -0.52 5.60 0.05 -1.33 -2.48 116.97 118.99 3hrq h TYR 1492Ca 0.11 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 3hrq h TYR 1492Cb 0.38 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3hrq h TYR 1492CO 0.03 0.54 0.18 -0.22 -1.05 0.00 0.00 178.16 177.63 3hrq h LYS 1493N 0.20 0.80 -0.36 4.88 3.64 -0.75 -1.04 116.57 123.94 3hrq h LYS 1493Ca 0.03 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3hrq h LYS 1493Cb 0.69 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3hrq h LYS 1493CO 0.05 0.73 0.24 1.25 -2.27 0.00 0.00 179.45 179.45 3hrq h LEU 1494N 0.71 0.21 -0.22 5.20 5.85 -0.66 -1.93 115.31 124.47 3hrq h LEU 1494Ca 0.17 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hrq h LEU 1494Cb 0.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3hrq h LEU 1494CO -0.01 0.14 -0.62 0.23 -0.34 0.00 0.00 178.44 177.84 3hrq n MET 1495N -4.48 0.31 0.15 1.25 2.81 -0.97 -4.59 117.12 111.61 3hrq n MET 1495Ca 0.04 -0.22 0.19 0.00 -1.81 0.00 0.00 57.70 55.90 3hrq n MET 1495Cb 0.25 -1.50 0.78 0.00 -0.71 0.00 0.00 33.22 32.05 3hrq n MET 1495CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3hrq h SER 1496N 0.54 0.00 1.42 7.83 4.64 -0.36 0.89 113.55 128.50 3hrq h SER 1496Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3hrq h SER 1496Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3hrq h SER 1496CO 0.00 0.00 -0.37 0.77 -0.87 0.00 0.00 176.83 176.36 3hrq h SER 1497N 0.00 0.00 0.00 4.97 4.64 -1.81 -3.34 113.55 118.01 3hrq h SER 1497Ca 0.14 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 3hrq h SER 1497Cb 0.88 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 3hrq h SER 1497CO -0.00 0.37 -1.21 -0.03 -0.87 0.00 0.00 176.83 175.09 3hrq h MET 1498N 0.00 0.00 -2.63 4.77 -1.53 -1.22 -3.47 114.93 110.84 3hrq h MET 1498Ca -0.00 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.16 3hrq h MET 1498Cb 1.18 0.00 -0.20 0.00 -0.55 0.00 0.00 31.60 32.03 3hrq h MET 1498CO 0.05 0.91 -0.11 0.00 0.14 0.00 0.00 176.91 177.90 3hrq s ALA 1499N -2.40 -1.16 0.24 0.39 0.00 -0.26 -4.51 121.76 114.07 3hrq s ALA 1499Ca -0.28 0.80 0.09 0.00 0.00 0.00 0.00 51.96 52.58 3hrq s ALA 1499Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3hrq s ALA 1499CO 0.56 -0.29 0.00 1.03 0.00 0.00 0.00 175.76 177.06 3hrq s ARG 1500N -1.03 2.34 0.10 0.00 0.52 -0.13 -3.74 118.95 117.00 3hrq s ARG 1500Ca -0.11 -1.33 0.09 0.00 -0.52 0.00 0.00 55.73 53.86 3hrq s ARG 1500Cb -0.03 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 3hrq s ARG 1500CO 0.05 0.39 -0.24 -0.06 0.02 0.00 0.00 175.30 175.46 3hrq s PHE 1501N -2.17 2.06 0.29 -0.53 0.08 -1.26 -0.74 117.98 115.70 3hrq s PHE 1501Ca 0.30 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 3hrq s PHE 1501Cb -0.07 -1.15 -0.11 0.00 -0.57 0.00 0.00 43.02 41.11 3hrq s PHE 1501CO 0.20 0.23 1.60 1.21 -0.10 0.00 0.00 175.22 178.36 3hrq s ASN 1502N -1.76 6.36 0.44 1.36 3.84 -0.58 -4.85 114.94 119.75 3hrq s ASN 1502Ca 0.10 2.95 0.20 0.00 0.21 0.00 0.00 52.86 56.32 3hrq s ASN 1502Cb -0.10 -2.63 1.15 0.00 -0.55 0.00 0.00 41.25 39.12 3hrq s ASN 1502CO 0.04 -0.92 1.86 -0.65 -2.79 0.00 0.00 177.10 174.64 3hrq h PRO 1503N 4.95 0.33 0.00 0.43 0.11 -1.93 0.35 132.00 136.24 3hrq h PRO 1503Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hrq h PRO 1503Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hrq h PRO 1503CO 0.80 0.22 0.00 -0.25 -0.21 0.00 0.00 178.00 178.56 3hrq n ASP 1504N -4.48 0.40 -0.28 -2.05 8.00 -1.26 -2.02 116.55 114.86 3hrq n ASP 1504Ca 0.19 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.40 3hrq n ASP 1504Cb 0.74 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 41.11 3hrq n ASP 1504CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hrq n TYR 1505N -1.95 0.00 -2.10 1.24 4.02 0.12 -4.64 117.16 113.84 3hrq n TYR 1505Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 3hrq n TYR 1505Cb 0.18 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 3hrq n TYR 1505CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3hrq n MET 1506N -0.67 3.33 0.00 -0.72 2.81 -0.86 -4.64 117.12 116.37 3hrq n MET 1506Ca 0.07 -3.17 0.11 0.00 -1.81 0.00 0.00 57.70 52.89 3hrq n MET 1506Cb 0.41 -3.06 0.07 0.00 -0.71 0.00 0.00 33.22 29.92 3hrq n MET 1506CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hrq n LEU 1507N 4.72 2.58 -4.60 4.03 4.77 -1.26 -4.77 117.00 122.46 3hrq n LEU 1507Ca 0.44 -0.95 -0.43 0.00 -0.03 0.00 0.00 56.01 55.05 3hrq n LEU 1507Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3hrq n LEU 1507CO 0.85 0.45 0.96 -0.76 -1.33 0.00 0.00 177.39 177.55 3hrq s LEU 1508N -1.90 3.76 0.07 2.23 1.02 -1.26 -1.00 118.68 121.60 3hrq s LEU 1508Ca 0.23 0.50 -0.16 0.00 0.02 0.00 0.00 54.13 54.72 3hrq s LEU 1508Cb 0.17 -3.47 -0.16 0.00 0.02 0.00 0.00 46.19 42.75 3hrq s LEU 1508CO 0.32 -1.14 1.28 -0.78 0.02 0.00 0.00 176.35 176.05 3hrq h ASP 1509N 8.99 0.74 -4.94 2.29 3.58 -1.13 -3.37 116.42 122.58 3hrq h ASP 1509Ca -0.23 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.61 3hrq h ASP 1509Cb 1.06 -0.22 -0.13 0.00 1.72 0.00 0.00 39.33 41.77 3hrq h ASP 1509CO 1.09 1.23 0.26 -0.72 -2.88 0.00 0.00 179.24 178.22 3hrq s TYR 1510N -3.79 -0.51 -0.18 0.28 1.13 -1.16 -1.64 117.35 111.48 3hrq s TYR 1510Ca -0.12 0.31 -0.09 0.00 -1.41 0.00 0.00 57.07 55.77 3hrq s TYR 1510Cb 0.07 0.56 0.07 0.00 -1.10 0.00 0.00 41.96 41.55 3hrq s TYR 1510CO 0.85 -0.80 0.42 -1.17 -2.51 0.00 0.00 175.55 172.35 3hrq s LEU 1511N -2.69 -0.30 -0.22 -3.49 0.20 -0.71 -1.56 118.68 109.91 3hrq s LEU 1511Ca 0.02 0.94 -0.09 0.00 0.69 0.00 0.00 54.13 55.69 3hrq s LEU 1511Cb -0.01 1.38 -0.04 0.00 -0.43 0.00 0.00 46.19 47.08 3hrq s LEU 1511CO -0.12 -0.21 0.11 -0.69 -0.29 0.00 0.00 176.35 175.16 3hrq s VAL 1512N 1.80 5.02 -0.12 1.68 1.01 0.12 -0.58 120.40 129.33 3hrq s VAL 1512Ca -0.07 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3hrq s VAL 1512Cb -0.09 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.97 3hrq s VAL 1512CO -0.13 0.38 -0.23 -0.22 0.00 0.00 0.00 175.10 174.91 3hrq s LEU 1513N 0.92 2.08 -0.63 3.92 2.96 0.27 -1.84 118.68 126.36 3hrq s LEU 1513Ca 0.06 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.28 3hrq s LEU 1513Cb -0.13 -1.40 0.16 0.00 0.50 0.00 0.00 46.19 45.31 3hrq s LEU 1513CO 0.03 0.11 0.54 0.21 -1.32 0.00 0.00 176.35 175.93 3hrq s ASN 1514N 0.59 6.15 0.42 3.68 2.47 0.69 -2.83 114.94 126.12 3hrq s ASN 1514Ca -0.13 -2.24 0.10 0.00 0.42 0.00 0.00 52.86 51.02 3hrq s ASN 1514Cb -0.17 -2.12 0.93 0.00 -1.45 0.00 0.00 41.25 38.45 3hrq s ASN 1514CO 0.03 -0.67 2.01 -0.33 -3.72 0.00 0.00 177.10 174.42 3hrq h GLU 1515N 8.21 0.49 -0.44 0.43 5.08 -1.94 -1.87 114.58 124.53 3hrq h GLU 1515Ca -0.11 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3hrq h GLU 1515Cb 1.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3hrq h GLU 1515CO 0.86 0.32 0.31 0.00 -1.00 0.00 0.00 179.01 179.51 3hrq h ALA 1516N 1.70 2.31 0.00 3.43 0.00 -1.95 -2.43 119.26 122.32 3hrq h ALA 1516Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hrq h ALA 1516Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hrq h ALA 1516CO -0.07 -0.43 -0.03 0.39 0.00 0.00 0.00 179.25 179.11 3hrq n GLU 1517N -4.43 1.84 -4.21 0.00 -0.58 -1.03 -4.92 120.64 107.31 3hrq n GLU 1517Ca 0.07 -1.96 -0.33 0.00 -0.42 0.00 0.00 57.16 54.53 3hrq n GLU 1517Cb 0.46 -1.19 -0.05 0.00 -0.57 0.00 0.00 31.44 30.09 3hrq n GLU 1517CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hrq n ASN 1518N -0.91 -1.11 -4.49 1.62 3.02 -0.87 -1.80 115.26 110.71 3hrq n ASN 1518Ca 0.08 -1.11 -0.34 0.00 -0.03 0.00 0.00 54.58 53.18 3hrq n ASN 1518Cb 0.48 -2.39 -0.12 0.00 -0.61 0.00 0.00 39.78 37.14 3hrq n ASN 1518CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hrq s GLU 1519N -6.98 3.66 0.02 3.52 2.12 -0.76 -1.81 118.70 118.49 3hrq s GLU 1519Ca 0.35 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.16 3hrq s GLU 1519Cb -0.19 -2.91 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 3hrq s GLU 1519CO 0.95 0.23 -0.04 0.00 -0.54 0.00 0.00 175.26 175.86 3hrq s ALA 1520N 0.38 0.23 -0.11 6.30 0.00 0.29 -0.22 121.76 128.62 3hrq s ALA 1520Ca -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3hrq s ALA 1520Cb -0.14 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3hrq s ALA 1520CO 0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 175.76 175.54 3hrq s ALA 1521N -1.37 1.59 0.07 0.00 0.00 -0.76 -1.62 121.76 119.65 3hrq s ALA 1521Ca -0.14 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3hrq s ALA 1521Cb -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3hrq s ALA 1521CO -0.01 -0.21 -0.11 0.45 0.00 0.00 0.00 175.76 175.88 3hrq s SER 1522N 1.25 1.37 -0.25 0.00 0.15 0.42 -0.70 113.70 115.94 3hrq s SER 1522Ca -0.02 -0.63 -0.07 0.00 0.70 0.00 0.00 55.95 55.92 3hrq s SER 1522Cb -0.14 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 3hrq s SER 1522CO -0.05 -0.15 0.07 -0.83 1.20 0.00 0.00 173.24 173.48 3hrq s GLY 1523N -1.83 1.77 -0.17 9.45 0.00 -0.60 -0.44 107.32 115.50 3hrq s GLY 1523Ca -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 3hrq s GLY 1523CO 0.01 0.51 -0.04 -1.34 0.00 0.00 0.00 173.10 172.24 3hrq s VAL 1524N 1.54 3.78 -0.32 1.40 -7.23 -0.13 -0.49 120.40 118.95 3hrq s VAL 1524Ca 0.06 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 3hrq s VAL 1524Cb -0.15 -2.67 0.09 0.00 0.56 0.00 0.00 36.38 34.21 3hrq s VAL 1524CO 0.04 0.48 0.02 -0.62 -0.31 0.00 0.00 175.10 174.71 3hrq s ASP 1525N 0.55 4.75 0.20 4.85 -1.08 -0.17 0.37 116.67 126.14 3hrq s ASP 1525Ca -0.03 -1.87 0.19 0.00 -0.52 0.00 0.00 52.55 50.32 3hrq s ASP 1525Cb -0.14 -1.64 0.87 0.00 -1.46 0.00 0.00 42.92 40.54 3hrq s ASP 1525CO 0.03 -0.34 1.59 0.49 0.52 0.00 0.00 175.17 177.46 3hrq n PHE 1526N 4.37 0.57 0.94 -5.34 3.72 -0.66 -1.74 117.46 119.31 3hrq n PHE 1526Ca -0.03 0.25 0.11 0.00 -0.05 0.00 0.00 57.45 57.73 3hrq n PHE 1526Cb 0.42 -0.89 0.54 0.00 -0.94 0.00 0.00 39.48 38.60 3hrq n PHE 1526CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hrq n SER 1527N -2.04 0.00 0.00 4.37 3.41 -1.11 -3.07 113.62 115.18 3hrq n SER 1527Ca 0.01 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 3hrq n SER 1527Cb 0.15 -0.40 0.56 0.00 -0.26 0.00 0.00 64.21 64.26 3hrq n SER 1527CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hrq n LEU 1528N -1.40 0.00 -4.35 1.04 4.77 -0.71 -4.85 117.00 111.50 3hrq n LEU 1528Ca 0.08 0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 56.35 3hrq n LEU 1528Cb 0.23 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 3hrq n LEU 1528CO 0.20 -0.06 -0.24 -0.83 -1.33 0.00 0.00 177.39 175.13 3hrq s GLY 1529N -2.95 1.92 -0.04 -0.72 0.00 -1.17 -4.93 107.32 99.43 3hrq s GLY 1529Ca 0.14 -1.81 -0.14 0.00 0.00 0.00 0.00 44.72 42.91 3hrq s GLY 1529CO 0.46 -1.63 0.36 -0.45 0.00 0.00 0.00 173.10 171.83 3hrq s SER 1530N -3.37 6.70 -0.36 1.64 0.15 -1.26 -5.01 113.70 112.19 3hrq s SER 1530Ca 0.36 0.83 0.14 0.00 0.70 0.00 0.00 55.95 57.97 3hrq s SER 1530Cb 0.07 -2.22 0.41 0.00 -1.71 0.00 0.00 66.02 62.57 3hrq s SER 1530CO 0.15 0.29 1.00 -1.54 1.20 0.00 0.00 173.24 174.34 3hrq n SER 1531N 2.15 0.24 -4.79 5.45 3.41 -1.26 -4.79 113.62 114.03 3hrq n SER 1531Ca -0.14 -2.83 -0.37 0.00 -0.26 0.00 0.00 58.87 55.27 3hrq n SER 1531Cb 0.53 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3hrq n SER 1531CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hrq s GLU 1532N -1.95 4.52 0.00 4.33 0.41 -1.26 -4.93 118.70 119.82 3hrq s GLU 1532Ca 0.29 1.23 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 3hrq s GLU 1532Cb 0.40 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 3hrq s GLU 1532CO -0.02 0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 3hrq n GLY 1533N 0.61 0.76 3.30 -1.39 0.00 -1.26 -5.06 105.19 102.15 3hrq n GLY 1533Ca 0.01 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 3hrq n GLY 1533CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrq s THR 1534N -1.06 2.19 0.30 2.61 -4.23 -1.26 -4.98 115.64 109.21 3hrq s THR 1534Ca 0.00 -1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 59.38 3hrq s THR 1534Cb 0.00 -1.80 0.01 0.00 1.34 0.00 0.00 72.50 72.05 3hrq s THR 1534CO 0.00 0.57 0.54 -0.36 -0.54 0.00 0.00 174.62 174.83 3hrq s PHE 1535N -0.25 0.51 -0.21 3.99 0.08 -1.26 -1.86 117.98 118.99 3hrq s PHE 1535Ca -0.01 -0.89 -0.09 0.00 0.12 0.00 0.00 56.93 56.06 3hrq s PHE 1535Cb -0.13 0.23 -0.19 0.00 -0.57 0.00 0.00 43.02 42.36 3hrq s PHE 1535CO 0.03 -1.14 0.02 0.00 -0.10 0.00 0.00 175.22 174.03 3hrq n ALA 1536N -0.46 1.08 -3.44 5.36 0.00 -1.26 -4.85 120.51 116.93 3hrq n ALA 1536Ca -0.02 -0.81 -0.15 0.00 0.00 0.00 0.00 53.44 52.45 3hrq n ALA 1536Cb 0.61 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 3hrq n ALA 1536CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrq s ALA 1537N -2.50 -0.54 -0.05 0.00 0.00 -1.26 -4.93 121.76 112.49 3hrq s ALA 1537Ca -0.31 0.36 -0.37 0.00 0.00 0.00 0.00 51.96 51.64 3hrq s ALA 1537Cb 0.09 -1.50 -0.15 0.00 0.00 0.00 0.00 23.12 21.56 3hrq s ALA 1537CO 0.63 -1.30 1.60 1.58 0.00 0.00 0.00 175.76 178.27 3hrq n HIS 1538N 5.33 1.95 -0.19 0.00 -0.00 -1.26 -4.50 115.22 116.55 3hrq n HIS 1538Ca -0.04 0.43 0.14 0.00 0.46 0.00 0.00 57.72 58.71 3hrq n HIS 1538Cb 0.49 -2.47 0.46 0.00 -0.12 0.00 0.00 29.99 28.36 3hrq n HIS 1538CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hrq h PRO 1539N 6.44 0.49 -0.29 1.57 0.11 -1.95 -1.44 132.00 136.94 3hrq h PRO 1539Ca -0.47 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 3hrq h PRO 1539Cb 1.31 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hrq h PRO 1539CO 0.88 0.33 -0.49 0.00 -0.21 0.00 0.00 178.00 178.51 3hrq h ALA 1540N 1.63 0.57 -0.26 -0.75 0.00 -1.89 -1.08 119.26 117.48 3hrq h ALA 1540Ca 0.39 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hrq h ALA 1540Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3hrq h ALA 1540CO -0.14 0.68 0.06 0.45 0.00 0.00 0.00 179.25 180.30 3hrq h HIS 1541N 0.64 0.45 -0.43 0.00 3.86 -1.62 -1.04 115.15 116.99 3hrq h HIS 1541Ca 0.03 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.06 3hrq h HIS 1541Cb 1.08 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 3hrq h HIS 1541CO 0.06 0.51 -0.19 0.28 0.86 0.00 0.00 177.93 179.46 3hrq h VAL 1542N 0.25 1.27 -0.67 2.45 2.07 -1.36 -2.80 116.25 117.47 3hrq h VAL 1542Ca 0.08 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 3hrq h VAL 1542Cb 0.30 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3hrq h VAL 1542CO 0.00 0.45 0.28 -0.78 0.02 0.00 0.00 177.57 177.55 3hrq h ASP 1543N 0.72 0.89 -0.91 0.57 3.58 -1.13 -2.11 116.42 118.04 3hrq h ASP 1543Ca 0.10 -0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.50 3hrq h ASP 1543Cb 0.75 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.51 3hrq h ASP 1543CO 0.06 0.79 0.59 0.00 -2.88 0.00 0.00 179.24 177.80 3hrq h ALA 1544N 1.35 1.50 -0.30 -0.78 0.00 -0.94 0.91 119.26 121.00 3hrq h ALA 1544Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hrq h ALA 1544Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hrq h ALA 1544CO -0.02 0.37 0.15 0.82 0.00 0.00 0.00 179.25 180.57 3hrq h ILE 1545N 1.05 1.14 0.00 0.00 2.04 -1.14 -2.50 117.51 118.11 3hrq h ILE 1545Ca 0.39 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 3hrq h ILE 1545Cb 0.18 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3hrq h ILE 1545CO -0.14 0.15 -0.24 0.71 0.00 0.00 0.00 178.15 178.63 3hrq h THR 1546N 0.36 0.66 -0.07 -0.27 1.35 -1.06 -2.79 112.91 111.08 3hrq h THR 1546Ca 0.10 -1.06 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3hrq h THR 1546Cb 0.09 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3hrq h THR 1546CO -0.01 0.23 0.05 1.56 -0.25 0.00 0.00 175.52 177.09 3hrq h GLN 1547N 0.00 0.10 -0.82 4.72 4.20 -0.39 -1.59 115.11 121.33 3hrq h GLN 1547Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hrq h GLN 1547Cb 0.66 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3hrq h GLN 1547CO 0.03 0.07 0.50 0.28 -0.67 0.00 0.00 178.83 179.04 3hrq h VAL 1548N 0.10 1.23 -0.13 -0.54 2.07 -1.44 0.12 116.25 117.65 3hrq h VAL 1548Ca 0.03 -0.49 -0.21 0.00 0.82 0.00 0.00 66.70 66.84 3hrq h VAL 1548Cb -0.00 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3hrq h VAL 1548CO -0.01 0.24 -0.74 0.00 0.02 0.00 0.00 177.57 177.08 3hrq h ALA 1549N 1.27 0.27 -0.88 1.67 0.00 -1.52 -1.82 119.26 118.25 3hrq h ALA 1549Ca 0.29 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3hrq h ALA 1549Cb -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hrq h ALA 1549CO -0.06 0.62 0.47 0.78 0.00 0.00 0.00 179.25 181.06 3hrq h GLY 1550N 0.45 1.32 0.97 0.00 0.00 -0.98 -2.13 103.07 102.70 3hrq h GLY 1550Ca -0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.56 3hrq h GLY 1550CO 0.15 0.59 -0.21 -2.75 0.00 0.00 0.00 176.54 174.32 3hrq h PHE 1551N 1.23 0.84 -0.96 5.60 3.57 -0.77 -1.68 116.94 124.78 3hrq h PHE 1551Ca 0.31 -0.22 0.14 0.00 3.53 0.00 0.00 57.97 61.73 3hrq h PHE 1551Cb 0.05 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.51 3hrq h PHE 1551CO 0.01 0.95 0.57 0.00 -2.23 0.00 0.00 178.31 177.61 3hrq h ALA 1552N 0.76 1.48 0.10 2.41 0.00 -0.93 0.13 119.26 123.21 3hrq h ALA 1552Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hrq h ALA 1552Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hrq h ALA 1552CO 0.06 0.08 -0.05 0.52 0.00 0.00 0.00 179.25 179.86 3hrq h MET 1553N 0.84 -0.13 0.00 0.00 2.86 -1.24 -3.35 114.93 113.91 3hrq h MET 1553Ca 0.50 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 3hrq h MET 1553Cb 0.62 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3hrq h MET 1553CO -0.32 0.38 0.00 -0.91 1.06 0.00 0.00 176.91 177.12 3hrq h ASN 1554N -0.86 0.00 0.23 1.22 -0.26 -1.10 -3.08 115.58 111.73 3hrq h ASN 1554Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3hrq h ASN 1554Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 3hrq h ASN 1554CO 0.02 0.00 -0.10 0.00 -1.06 0.00 0.00 177.43 176.29 3hrq n ALA 1555N -1.96 2.77 -1.81 -0.83 0.00 0.44 -4.82 120.51 114.29 3hrq n ALA 1555Ca 0.02 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3hrq n ALA 1555Cb 0.34 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3hrq n ALA 1555CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hrq s ASN 1556N -2.34 6.51 0.48 0.00 3.84 -1.17 -4.87 114.94 117.39 3hrq s ASN 1556Ca 0.32 2.82 0.19 0.00 0.21 0.00 0.00 52.86 56.40 3hrq s ASN 1556Cb 0.20 -2.63 1.19 0.00 -0.55 0.00 0.00 41.25 39.46 3hrq s ASN 1556CO 0.45 -0.80 2.00 -0.78 -2.79 0.00 0.00 177.10 175.17 3hrq h ASP 1557N 4.71 0.19 0.33 -4.21 3.58 -1.92 -0.70 116.42 118.40 3hrq h ASP 1557Ca -0.47 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3hrq h ASP 1557Cb 1.22 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.24 3hrq h ASP 1557CO 0.77 0.11 -0.03 0.59 -2.88 0.00 0.00 179.24 177.80 3hrq n ASN 1558N -4.44 0.19 -4.54 2.28 5.03 -1.26 -4.71 115.26 107.80 3hrq n ASN 1558Ca 0.09 -0.56 -0.40 0.00 0.87 0.00 0.00 54.58 54.57 3hrq n ASN 1558Cb 0.45 -0.13 -0.10 0.00 -1.02 0.00 0.00 39.78 38.98 3hrq n ASN 1558CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hrq s VAL 1559N -2.36 5.21 -0.68 2.41 1.01 -0.27 -5.03 120.40 120.69 3hrq s VAL 1559Ca 0.35 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 3hrq s VAL 1559Cb 0.21 -3.78 0.11 0.00 0.00 0.00 0.00 36.38 32.92 3hrq s VAL 1559CO 0.43 -0.05 0.82 -0.62 0.00 0.00 0.00 175.10 175.68 3hrq s ASP 1560N 1.73 6.31 0.00 3.32 -1.08 -1.26 -4.82 116.67 120.86 3hrq s ASP 1560Ca 0.10 -1.59 0.09 0.00 -0.52 0.00 0.00 52.55 50.63 3hrq s ASP 1560Cb -0.17 -2.33 0.49 0.00 -1.46 0.00 0.00 42.92 39.45 3hrq s ASP 1560CO 0.11 -1.11 1.01 2.30 0.52 0.00 0.00 175.17 178.01 3hrq n ILE 1561N 5.44 0.22 0.20 4.11 -5.35 -1.24 -0.77 119.36 121.98 3hrq n ILE 1561Ca -0.01 0.06 0.12 0.00 -0.27 0.00 0.00 62.75 62.64 3hrq n ILE 1561Cb 0.44 -0.92 0.11 0.00 -1.74 0.00 0.00 39.64 37.53 3hrq n ILE 1561CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3hrq h GLU 1562N 0.00 0.00 0.00 6.28 4.39 -1.97 -3.40 114.58 119.88 3hrq h GLU 1562Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3hrq h GLU 1562Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3hrq h GLU 1562CO 0.00 0.00 -1.32 1.63 -1.16 0.00 0.00 179.01 178.16 3hrq n LYS 1563N -2.89 0.13 -4.15 2.33 5.02 0.05 -4.58 118.16 114.08 3hrq n LYS 1563Ca 0.02 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 3hrq n LYS 1563Cb 0.53 -0.99 -0.13 0.00 -0.02 0.00 0.00 35.03 34.43 3hrq n LYS 1563CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3hrq s GLN 1564N -2.11 0.57 0.01 1.97 -2.07 -0.21 -0.09 119.66 117.72 3hrq s GLN 1564Ca -0.08 -0.55 -0.10 0.00 -1.82 0.00 0.00 55.36 52.82 3hrq s GLN 1564Cb 0.02 -0.46 0.01 0.00 -1.09 0.00 0.00 33.01 31.49 3hrq s GLN 1564CO 0.12 0.11 0.19 0.14 -1.32 0.00 0.00 175.29 174.53 3hrq s VAL 1565N -0.82 0.08 -0.26 3.63 -7.23 -0.46 -3.61 120.40 111.73 3hrq s VAL 1565Ca -0.03 -0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 59.31 3hrq s VAL 1565Cb -0.07 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 3hrq s VAL 1565CO 0.00 -0.38 0.29 -0.31 -0.31 0.00 0.00 175.10 174.39 3hrq s TYR 1566N -1.64 3.27 0.28 2.82 2.02 -1.26 -0.89 117.35 121.95 3hrq s TYR 1566Ca -0.12 0.33 0.10 0.00 -0.37 0.00 0.00 57.07 57.01 3hrq s TYR 1566Cb -0.06 -2.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 3hrq s TYR 1566CO 0.01 -0.12 -0.05 0.14 -1.57 0.00 0.00 175.55 173.96 3hrq s VAL 1567N 1.69 3.14 0.54 0.71 -7.23 -0.13 -4.86 120.40 114.26 3hrq s VAL 1567Ca 0.12 -2.03 -0.22 0.00 -1.81 0.00 0.00 61.98 58.04 3hrq s VAL 1567Cb -0.15 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 3hrq s VAL 1567CO 0.09 -0.36 1.34 0.59 -0.31 0.00 0.00 175.10 176.45 3hrq n ASN 1568N -0.84 2.63 0.00 4.85 5.03 -1.26 -0.64 115.26 125.03 3hrq n ASN 1568Ca -0.06 0.98 0.00 0.00 0.87 0.00 0.00 54.58 56.37 3hrq n ASN 1568Cb 0.60 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 37.79 3hrq n ASN 1568CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 3hrq n HIS 1569N -1.02 0.00 -0.79 3.10 -0.00 -0.81 -4.67 115.22 111.03 3hrq n HIS 1569Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 3hrq n HIS 1569Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 3hrq n HIS 1569CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hrq n GLY 1570N 2.04 0.42 3.53 1.57 0.00 -1.18 -2.49 105.19 109.08 3hrq n GLY 1570Ca 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 3hrq n GLY 1570CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hrq s TRP 1571N -3.42 -0.36 0.00 1.61 -2.14 -0.91 -0.99 118.94 112.73 3hrq s TRP 1571Ca 0.00 0.16 -0.08 0.00 2.66 0.00 0.00 56.10 58.85 3hrq s TRP 1571Cb 0.00 0.57 -0.30 0.00 -3.10 0.00 0.00 33.47 30.64 3hrq s TRP 1571CO 0.00 -0.70 0.85 -0.44 -2.66 0.00 0.00 176.95 174.00 3hrq h ASP 1572N 2.00 0.54 -4.27 -2.66 3.32 -1.06 -0.87 116.42 113.43 3hrq h ASP 1572Ca -0.25 -0.71 -0.09 0.00 0.02 0.00 0.00 57.03 56.00 3hrq h ASP 1572Cb 1.26 -0.18 -0.22 0.00 0.22 0.00 0.00 39.33 40.42 3hrq h ASP 1572CO 0.32 1.58 -0.09 -0.55 -1.72 0.00 0.00 179.24 178.78 3hrq s SER 1573N -7.19 -0.50 -0.11 6.45 0.15 -0.39 -1.05 113.70 111.05 3hrq s SER 1573Ca -0.10 0.84 -0.04 0.00 0.70 0.00 0.00 55.95 57.35 3hrq s SER 1573Cb 0.06 0.86 0.06 0.00 -1.71 0.00 0.00 66.02 65.29 3hrq s SER 1573CO 0.87 -0.29 0.20 0.12 1.20 0.00 0.00 173.24 175.34 3hrq s PHE 1574N -0.22 -0.28 0.01 3.44 5.99 -1.03 -0.24 117.98 125.64 3hrq s PHE 1574Ca -0.04 0.73 0.04 0.00 0.00 0.00 0.00 56.93 57.66 3hrq s PHE 1574Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 43.02 42.79 3hrq s PHE 1574CO 0.03 -0.32 -0.14 -0.65 -0.00 0.00 0.00 175.22 174.14 3hrq s GLN 1575N 2.35 1.02 -0.12 10.12 -0.21 -0.73 -1.66 119.66 130.43 3hrq s GLN 1575Ca 0.03 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 54.86 3hrq s GLN 1575Cb -0.12 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 32.89 3hrq s GLN 1575CO -0.07 0.27 -0.22 0.42 -2.12 0.00 0.00 175.29 173.57 3hrq s ILE 1576N -0.50 2.21 -0.25 1.08 1.01 -1.26 -1.05 121.20 122.44 3hrq s ILE 1576Ca 0.04 -0.95 0.13 0.00 0.00 0.00 0.00 60.65 59.86 3hrq s ILE 1576Cb -0.06 -1.87 -0.17 0.00 0.01 0.00 0.00 42.46 40.37 3hrq s ILE 1576CO 0.00 0.55 0.38 -1.22 0.00 0.00 0.00 174.94 174.65 3hrq n TYR 1577N 3.70 0.00 -3.93 3.97 4.02 0.12 -4.91 117.16 120.13 3hrq n TYR 1577Ca -0.19 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.59 3hrq n TYR 1577Cb 0.53 -0.18 -0.13 0.00 -0.02 0.00 0.00 39.34 39.54 3hrq n TYR 1577CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3hrq s GLN 1578N -2.61 0.15 0.50 -0.72 0.74 -1.07 -5.00 119.66 111.65 3hrq s GLN 1578Ca -0.01 -0.24 -0.22 0.00 0.05 0.00 0.00 55.36 54.94 3hrq s GLN 1578Cb 0.09 0.00 -0.08 0.00 1.10 0.00 0.00 33.01 34.12 3hrq s GLN 1578CO 0.53 -0.01 1.08 -0.35 -0.55 0.00 0.00 175.29 175.99 3hrq n PRO 1579N 2.52 1.33 -3.00 1.67 -0.04 -1.26 -4.88 135.00 131.34 3hrq n PRO 1579Ca -0.16 0.49 -0.44 0.00 -0.04 0.00 0.00 63.50 63.34 3hrq n PRO 1579Cb 0.58 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3hrq n PRO 1579CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hrq n LEU 1580N -0.19 5.39 -4.67 1.53 4.77 -1.26 -5.00 117.00 117.57 3hrq n LEU 1580Ca 0.11 -4.61 -0.44 0.00 -0.03 0.00 0.00 56.01 51.04 3hrq n LEU 1580Cb 0.43 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 3hrq n LEU 1580CO 0.54 0.91 1.57 -0.67 -1.33 0.00 0.00 177.39 178.42 3hrq n ASP 1581N 4.84 4.00 0.00 -1.43 -0.08 -1.26 -4.90 116.55 117.72 3hrq n ASP 1581Ca 0.34 0.92 0.07 0.00 -1.51 0.00 0.00 54.79 54.61 3hrq n ASP 1581Cb 0.41 -1.49 0.40 0.00 2.34 0.00 0.00 41.12 42.78 3hrq n ASP 1581CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3hrq n ASN 1582N 7.24 0.00 -0.17 1.67 0.23 -1.26 -2.03 115.26 120.94 3hrq n ASN 1582Ca 0.21 -0.71 0.06 0.00 -0.53 0.00 0.00 54.58 53.60 3hrq n ASN 1582Cb 0.38 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.05 3hrq n ASN 1582CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hrq n SER 1583N -0.87 1.05 -4.87 0.53 3.41 -1.26 -2.76 113.62 108.85 3hrq n SER 1583Ca 0.10 -1.03 -0.21 0.00 -0.26 0.00 0.00 58.87 57.47 3hrq n SER 1583Cb 0.05 0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 3hrq n SER 1583CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hrq s LYS 1584N -1.77 2.89 0.13 4.33 1.02 -0.86 -4.67 119.74 120.80 3hrq s LYS 1584Ca 0.08 -1.14 0.08 0.00 0.02 0.00 0.00 55.97 55.01 3hrq s LYS 1584Cb 0.10 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3hrq s LYS 1584CO 0.38 0.21 -0.12 -1.54 -0.92 0.00 0.00 175.35 173.36 3hrq s SER 1585N -3.97 4.24 0.15 2.83 1.04 -1.26 -1.65 113.70 115.08 3hrq s SER 1585Ca 0.39 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.35 3hrq s SER 1585Cb -0.07 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 3hrq s SER 1585CO 0.27 0.16 0.01 -0.31 0.98 0.00 0.00 173.24 174.34 3hrq s TYR 1586N -1.31 1.09 -0.16 5.02 2.02 0.16 -4.93 117.35 119.25 3hrq s TYR 1586Ca 0.21 -1.06 -0.05 0.00 -0.37 0.00 0.00 57.07 55.81 3hrq s TYR 1586Cb -0.10 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.80 3hrq s TYR 1586CO 0.13 -0.27 0.01 -0.65 -1.57 0.00 0.00 175.55 173.19 3hrq s GLN 1587N -3.94 3.70 -0.07 -0.62 1.11 -0.22 -0.96 119.66 118.66 3hrq s GLN 1587Ca 0.22 -0.43 0.05 0.00 0.01 0.00 0.00 55.36 55.21 3hrq s GLN 1587Cb 0.06 -3.01 -0.00 0.00 -1.01 0.00 0.00 33.01 29.05 3hrq s GLN 1587CO 0.02 0.32 -0.23 0.08 0.01 0.00 0.00 175.29 175.49 3hrq s VAL 1588N 0.18 1.95 -0.01 1.09 1.01 0.41 -0.07 120.40 124.96 3hrq s VAL 1588Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3hrq s VAL 1588Cb -0.13 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3hrq s VAL 1588CO 0.02 0.54 -0.09 -0.47 0.00 0.00 0.00 175.10 175.09 3hrq s TYR 1589N 0.11 0.88 -0.09 5.22 5.04 -0.46 -0.44 117.35 127.61 3hrq s TYR 1589Ca -0.11 -0.18 -0.19 0.00 -2.44 0.00 0.00 57.07 54.15 3hrq s TYR 1589Cb -0.15 -0.58 0.04 0.00 0.35 0.00 0.00 41.96 41.62 3hrq s TYR 1589CO 0.06 -0.03 0.46 -0.08 -1.34 0.00 0.00 175.55 174.62 3hrq s THR 1590N -0.13 0.02 -0.42 4.34 -1.32 -0.64 -1.42 115.64 116.06 3hrq s THR 1590Ca 0.02 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.35 3hrq s THR 1590Cb -0.05 -0.72 0.13 0.00 -1.51 0.00 0.00 72.50 70.35 3hrq s THR 1590CO -0.00 -0.10 0.22 -0.75 -2.21 0.00 0.00 174.62 171.78 3hrq s LYS 1591N -0.64 1.20 0.26 7.08 2.20 -1.26 -0.55 119.74 128.04 3hrq s LYS 1591Ca -0.07 -1.88 0.10 0.00 -0.36 0.00 0.00 55.97 53.76 3hrq s LYS 1591Cb -0.03 -2.28 0.29 0.00 -1.51 0.00 0.00 37.83 34.30 3hrq s LYS 1591CO 0.04 -1.14 1.58 0.52 -0.36 0.00 0.00 175.35 175.99 3hrq h MET 1592N 6.90 0.00 0.00 4.03 2.86 -1.47 -3.42 114.93 123.83 3hrq h MET 1592Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hrq h MET 1592Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3hrq h MET 1592CO 0.47 0.66 0.00 0.41 1.06 0.00 0.00 176.91 179.51 3hrq n GLY 1593N 0.37 -0.57 0.00 8.32 0.00 -0.75 -4.55 105.19 108.01 3hrq n GLY 1593Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3hrq n GLY 1593CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hrq n GLN 1594N -0.99 2.65 0.00 1.61 1.13 -1.26 -4.69 117.38 115.82 3hrq n GLN 1594Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hrq n GLN 1594Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3hrq n GLN 1594CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3hrq n ASN 1598N 0.00 0.00 -1.01 1.08 0.23 -1.26 -4.89 115.26 109.41 3hrq n ASN 1598Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.13 3hrq n ASN 1598Cb 0.00 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 37.94 3hrq n ASN 1598CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3hrq n ASP 1599N 0.00 3.59 -4.49 0.53 5.75 -1.26 -4.99 116.55 115.69 3hrq n ASP 1599Ca 0.00 -2.16 -0.30 0.00 -0.01 0.00 0.00 54.79 52.32 3hrq n ASP 1599Cb 0.00 -0.39 -0.12 0.00 -1.03 0.00 0.00 41.12 39.59 3hrq n ASP 1599CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hrq s LEU 1600N -1.29 2.71 0.05 -2.12 1.43 -1.26 -0.34 118.68 117.87 3hrq s LEU 1600Ca 0.37 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3hrq s LEU 1600Cb 0.21 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3hrq s LEU 1600CO 0.22 0.22 -0.14 0.68 0.23 0.00 0.00 176.35 177.55 3hrq s VAL 1601N -1.04 1.11 0.06 -1.59 -7.23 -0.40 -5.00 120.40 106.31 3hrq s VAL 1601Ca 0.17 -1.14 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3hrq s VAL 1601Cb -0.11 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 3hrq s VAL 1601CO 0.08 -0.10 0.13 -1.38 -0.31 0.00 0.00 175.10 173.51 3hrq s HIS 1602N -1.04 0.21 0.03 2.82 -3.43 -1.26 -1.35 115.29 111.26 3hrq s HIS 1602Ca -0.00 -0.59 -0.28 0.00 -0.80 0.00 0.00 55.06 53.39 3hrq s HIS 1602Cb -0.09 -0.13 0.10 0.00 -1.43 0.00 0.00 32.58 31.03 3hrq s HIS 1602CO 0.02 -0.44 1.22 0.20 -2.00 0.00 0.00 174.74 173.74 3hrq s GLY 1603N -2.52 -0.23 0.13 -1.38 0.00 -0.68 -4.77 107.32 97.86 3hrq s GLY 1603Ca 0.01 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.05 3hrq s GLY 1603CO -0.08 2.13 0.20 0.99 0.00 0.00 0.00 173.10 176.35 3hrq s ASP 1604N -3.29 6.01 -0.08 1.64 1.01 -1.26 -0.31 116.67 120.39 3hrq s ASP 1604Ca 0.20 0.08 -0.00 0.00 0.71 0.00 0.00 52.55 53.54 3hrq s ASP 1604Cb 0.02 -1.74 0.02 0.00 1.01 0.00 0.00 42.92 42.23 3hrq s ASP 1604CO -0.01 0.09 -0.05 -0.69 0.21 0.00 0.00 175.17 174.73 3hrq s VAL 1605N -1.65 0.71 0.01 -1.27 1.01 -0.36 -4.01 120.40 114.83 3hrq s VAL 1605Ca 0.33 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.22 3hrq s VAL 1605Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3hrq s VAL 1605CO 0.26 0.30 -0.07 0.54 0.00 0.00 0.00 175.10 176.13 3hrq s VAL 1606N 1.59 3.60 -0.11 2.92 0.11 -0.51 -0.63 120.40 127.37 3hrq s VAL 1606Ca 0.01 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 3hrq s VAL 1606Cb -0.13 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 3hrq s VAL 1606CO -0.05 0.38 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.18 3hrq s VAL 1607N -1.01 2.12 0.21 2.04 1.01 -0.49 -1.35 120.40 122.93 3hrq s VAL 1607Ca 0.17 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.27 3hrq s VAL 1607Cb -0.11 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3hrq s VAL 1607CO 0.08 0.55 -0.19 -0.76 0.00 0.00 0.00 175.10 174.78 3hrq s LEU 1608N 0.48 2.50 -0.50 3.92 1.43 0.90 -0.51 118.68 126.91 3hrq s LEU 1608Ca -0.15 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.05 3hrq s LEU 1608Cb -0.17 -0.95 0.16 0.00 0.03 0.00 0.00 46.19 45.25 3hrq s LEU 1608CO 0.06 -0.00 0.35 -0.62 0.23 0.00 0.00 176.35 176.36 3hrq s ASP 1609N -3.01 3.12 1.35 2.29 2.15 0.01 -1.05 116.67 121.53 3hrq s ASP 1609Ca 0.22 -3.12 0.00 0.00 0.43 0.00 0.00 52.55 50.07 3hrq s ASP 1609Cb -0.05 -0.95 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 3hrq s ASP 1609CO 0.10 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 3hrq n GLY 1610N 2.85 1.94 0.64 2.66 0.00 -1.26 -1.83 105.19 110.20 3hrq n GLY 1610Ca 0.20 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3hrq n GLY 1610CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hrq n GLU 1611N 3.46 1.61 -3.40 1.61 -0.58 -1.26 -4.96 120.64 117.13 3hrq n GLU 1611Ca 0.00 -1.30 -0.38 0.00 -0.42 0.00 0.00 57.16 55.06 3hrq n GLU 1611Cb 0.00 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 3hrq n GLU 1611CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hrq s GLN 1612N -2.29 4.11 -0.14 3.49 -1.52 -0.76 -4.99 119.66 117.57 3hrq s GLN 1612Ca 0.23 0.48 -0.29 0.00 -1.95 0.00 0.00 55.36 53.83 3hrq s GLN 1612Cb 0.19 -3.30 -0.01 0.00 -0.22 0.00 0.00 33.01 29.68 3hrq s GLN 1612CO 0.46 0.50 1.00 0.42 -0.25 0.00 0.00 175.29 177.42 3hrq s ILE 1613N -0.51 4.77 -0.24 1.08 -1.09 -1.26 -0.81 121.20 123.14 3hrq s ILE 1613Ca 0.25 2.01 -0.03 0.00 -2.23 0.00 0.00 60.65 60.65 3hrq s ILE 1613Cb -0.17 -4.30 -0.14 0.00 -1.58 0.00 0.00 42.46 36.28 3hrq s ILE 1613CO 0.13 -0.04 -0.24 0.52 -1.23 0.00 0.00 174.94 174.08 3hrq n VAL 1614N 4.76 1.33 -3.62 2.92 0.31 0.34 -4.54 118.33 119.83 3hrq n VAL 1614Ca 0.09 -0.46 -0.09 0.00 -0.01 0.00 0.00 64.34 63.87 3hrq n VAL 1614Cb 0.48 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 3hrq n VAL 1614CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hrq s ALA 1615N -2.46 -1.46 -0.21 3.52 0.00 -1.14 0.15 121.76 120.15 3hrq s ALA 1615Ca -0.32 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 3hrq s ALA 1615Cb 0.10 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.12 3hrq s ALA 1615CO 0.50 -0.89 0.52 0.12 0.00 0.00 0.00 175.76 176.01 3hrq s PHE 1616N -3.75 -0.80 -0.20 0.00 5.36 -0.21 -1.40 117.98 116.97 3hrq s PHE 1616Ca 0.06 1.64 -0.07 0.00 -0.96 0.00 0.00 56.93 57.59 3hrq s PHE 1616Cb -0.03 0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 43.03 3hrq s PHE 1616CO -0.04 -0.42 0.06 -0.06 -1.46 0.00 0.00 175.22 173.30 3hrq s PHE 1617N 1.57 3.18 -0.19 10.12 0.08 0.19 -1.77 117.98 131.17 3hrq s PHE 1617Ca -0.09 -0.09 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 3hrq s PHE 1617Cb -0.07 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 3hrq s PHE 1617CO -0.16 -0.02 -0.06 0.50 -0.10 0.00 0.00 175.22 175.38 3hrq s ARG 1618N 0.81 3.43 -0.59 0.44 3.52 0.66 -1.23 118.95 125.99 3hrq s ARG 1618Ca 0.03 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 54.98 3hrq s ARG 1618Cb -0.14 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 3hrq s ARG 1618CO 0.02 -0.03 0.51 0.41 -0.81 0.00 0.00 175.30 175.40 3hrq n GLY 1619N 4.30 0.29 3.72 8.12 0.00 -1.17 -1.26 105.19 119.19 3hrq n GLY 1619Ca -0.18 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3hrq n GLY 1619CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hrq s LEU 1620N -3.76 4.37 -0.09 0.99 2.96 0.58 -2.22 118.68 121.52 3hrq s LEU 1620Ca 0.24 2.59 0.03 0.00 -0.22 0.00 0.00 54.13 56.77 3hrq s LEU 1620Cb -0.10 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3hrq s LEU 1620CO 0.32 -0.79 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.47 3hrq s THR 1621N 0.98 2.51 0.08 3.68 2.01 -0.16 -1.69 115.64 123.05 3hrq s THR 1621Ca 0.68 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.89 3hrq s THR 1621Cb -0.43 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3hrq s THR 1621CO 0.33 0.56 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.81 3hrq s LEU 1622N -0.00 2.24 -0.05 4.42 1.02 -0.46 -1.92 118.68 123.93 3hrq s LEU 1622Ca -0.06 -0.65 0.06 0.00 0.02 0.00 0.00 54.13 53.50 3hrq s LEU 1622Cb -0.15 -1.12 -0.01 0.00 0.02 0.00 0.00 46.19 44.93 3hrq s LEU 1622CO 0.05 0.17 -0.24 -0.60 0.02 0.00 0.00 176.35 175.75 3hrq s ARG 1623N -1.62 2.47 -0.16 1.70 3.52 0.19 -1.28 118.95 123.77 3hrq s ARG 1623Ca 0.10 -0.89 -0.28 0.00 -0.13 0.00 0.00 55.73 54.54 3hrq s ARG 1623Cb -0.10 -2.16 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 3hrq s ARG 1623CO 0.04 0.44 0.95 0.45 -0.81 0.00 0.00 175.30 176.37 3hrq s SER 1624N -0.29 7.11 0.05 -2.12 0.15 0.54 -0.95 113.70 118.18 3hrq s SER 1624Ca 0.00 1.37 0.03 0.00 0.70 0.00 0.00 55.95 58.05 3hrq s SER 1624Cb -0.13 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 3hrq s SER 1624CO 0.02 -0.49 -0.09 0.68 1.20 0.00 0.00 173.24 174.57 3hrq s VAL 1625N 2.36 0.65 0.32 4.45 -7.23 -0.07 -4.94 120.40 115.95 3hrq s VAL 1625Ca 0.44 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.16 3hrq s VAL 1625Cb -0.17 -0.74 -0.10 0.00 0.56 0.00 0.00 36.38 35.93 3hrq s VAL 1625CO 0.13 -0.37 1.40 -2.84 -0.31 0.00 0.00 175.10 173.11 3hrq s PRO 1626N -1.71 4.26 0.15 4.82 0.02 -1.26 -1.35 135.00 139.92 3hrq s PRO 1626Ca -0.08 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.14 3hrq s PRO 1626Cb -0.09 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.40 3hrq s PRO 1626CO 0.01 -0.36 1.74 -0.09 -0.33 0.00 0.00 177.00 177.96 3hrq h ARG 1627N 3.81 0.66 -0.33 5.54 9.65 -0.76 -0.91 114.38 132.04 3hrq h ARG 1627Ca -0.49 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.25 3hrq h ARG 1627Cb 1.23 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.67 3hrq h ARG 1627CO 0.69 0.56 0.02 0.78 2.80 0.00 0.00 179.97 184.82 3hrq h GLY 1628N 0.61 0.63 1.11 2.80 0.00 -1.81 -1.84 103.07 104.57 3hrq h GLY 1628Ca 0.16 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.06 3hrq h GLY 1628CO -0.02 0.41 0.57 0.00 0.00 0.00 0.00 176.54 177.50 3hrq h ALA 1629N 0.87 1.41 0.00 3.60 0.00 -1.90 -0.45 119.26 122.79 3hrq h ALA 1629Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hrq h ALA 1629Cb 0.42 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hrq h ALA 1629CO 0.01 0.53 -0.04 1.25 0.00 0.00 0.00 179.25 181.00 3hrq h LEU 1630N 1.13 -0.11 0.05 0.00 5.85 -0.85 -1.10 115.31 120.29 3hrq h LEU 1630Ca 0.33 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.08 3hrq h LEU 1630Cb -0.08 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3hrq h LEU 1630CO -0.08 -0.06 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.67 3hrq h ARG 1631N -0.07 -0.33 -0.80 1.25 2.43 -0.49 -1.48 114.38 114.88 3hrq h ARG 1631Ca 0.02 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 3hrq h ARG 1631Cb 0.09 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 3hrq h ARG 1631CO -0.04 -0.22 0.44 0.28 -1.51 0.00 0.00 179.97 178.92 3hrq h VAL 1632N -0.35 0.88 -0.09 0.20 2.07 -0.94 0.10 116.25 118.13 3hrq h VAL 1632Ca 0.04 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3hrq h VAL 1632Cb 0.40 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3hrq h VAL 1632CO -0.15 0.13 0.03 0.58 0.02 0.00 0.00 177.57 178.18 3hrq h VAL 1633N 0.74 1.19 -0.70 2.57 2.07 -0.81 -2.20 116.25 119.10 3hrq h VAL 1633Ca 0.39 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3hrq h VAL 1633Cb 0.39 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3hrq h VAL 1633CO -0.26 0.16 0.23 -0.07 0.02 0.00 0.00 177.57 177.66 3hrq h LEU 1634N -0.05 1.00 -1.59 2.57 -0.00 -0.86 -2.24 115.31 114.15 3hrq h LEU 1634Ca 0.03 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.70 3hrq h LEU 1634Cb 0.24 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 3hrq h LEU 1634CO -0.00 0.92 -0.18 1.56 -0.00 0.00 0.00 178.44 180.74 3hrq h GLN 1635N 1.04 0.00 -0.00 1.13 4.20 -0.92 -3.51 115.11 117.05 3hrq h GLN 1635Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3hrq h GLN 1635Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3hrq h GLN 1635CO -0.01 0.18 0.00 2.41 -0.67 0.00 0.00 178.83 180.74