#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0j h LEU 1493N 0.00 0.08 -0.62 5.87 3.38 -2.02 -3.42 115.31 118.58 3h0j h LEU 1493Ca 0.00 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3h0j h LEU 1493Cb 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 3h0j h LEU 1493CO 0.00 1.16 -0.24 1.67 0.09 0.00 0.00 178.44 181.12 3h0j n GLN 1494N -3.14 -0.15 -0.20 1.13 0.00 -1.26 0.18 117.38 113.95 3h0j n GLN 1494Ca -0.19 0.96 0.01 0.00 -0.00 0.00 0.00 57.00 57.78 3h0j n GLN 1494Cb 1.05 -1.43 0.27 0.00 0.00 0.00 0.00 30.24 30.13 3h0j n GLN 1494CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3h0j h PRO 1495N 0.00 0.93 -0.14 3.69 0.13 -2.00 0.60 132.00 135.22 3h0j h PRO 1495Ca 0.22 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.17 3h0j h PRO 1495Cb 0.37 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3h0j h PRO 1495CO -0.62 0.62 -0.37 0.87 -0.23 0.00 0.00 178.00 178.26 3h0j h LYS 1496N 0.96 0.50 -0.20 0.86 1.57 -0.56 -2.36 116.57 117.34 3h0j h LYS 1496Ca 0.27 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3h0j h LYS 1496Cb -0.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3h0j h LYS 1496CO -0.06 0.97 0.02 0.00 -0.57 0.00 0.00 179.45 179.80 3h0j h ARG 1497N 0.11 0.29 -0.44 3.15 3.08 -0.81 -1.65 114.38 118.11 3h0j h ARG 1497Ca -0.01 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3h0j h ARG 1497Cb 0.99 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3h0j h ARG 1497CO 0.08 0.30 -0.27 -0.92 -1.07 0.00 0.00 179.97 178.09 3h0j h TYR 1498N 0.29 1.11 -0.18 3.04 3.20 -0.79 -0.80 116.97 122.83 3h0j h TYR 1498Ca 0.07 -0.29 0.04 0.00 3.14 0.00 0.00 58.73 61.69 3h0j h TYR 1498Cb 0.17 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 3h0j h TYR 1498CO 0.00 1.12 -0.11 -0.22 -1.64 0.00 0.00 178.16 177.31 3h0j h LYS 1499N 0.79 -0.09 -0.43 1.82 1.63 -0.77 -0.36 116.57 119.16 3h0j h LYS 1499Ca 0.09 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.93 3h0j h LYS 1499Cb 0.86 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 3h0j h LYS 1499CO 0.08 -0.06 0.22 0.00 -3.45 0.00 0.00 179.45 176.23 3h0j h ALA 1500N 1.05 0.54 -0.73 5.00 0.00 -1.21 -1.72 119.26 122.20 3h0j h ALA 1500Ca 0.10 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3h0j h ALA 1500Cb 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3h0j h ALA 1500CO -0.24 -0.13 0.48 1.25 0.00 0.00 0.00 179.25 180.60 3h0j h HIS 1501N 0.44 0.73 0.00 0.00 -0.00 -0.32 0.45 115.15 116.45 3h0j h HIS 1501Ca 0.18 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 3h0j h HIS 1501Cb 0.08 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 3h0j h HIS 1501CO -0.10 0.37 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.08 3h0j h LEU 1502N 0.71 0.00 -1.38 0.26 3.38 -0.15 -2.34 115.31 115.80 3h0j h LEU 1502Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3h0j h LEU 1502Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3h0j h LEU 1502CO -0.11 0.05 -0.12 0.23 0.09 0.00 0.00 178.44 178.59 3h0j n MET 1503N -3.29 1.81 -0.89 1.13 2.81 0.11 -4.95 117.12 113.86 3h0j n MET 1503Ca -0.01 -1.38 0.00 0.00 -1.81 0.00 0.00 57.70 54.50 3h0j n MET 1503Cb 0.23 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3h0j n MET 1503CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h0j n GLY 1504N 1.32 0.70 3.70 3.03 0.00 -0.88 -4.78 105.19 108.29 3h0j n GLY 1504Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3h0j n GLY 1504CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h0j s THR 1505N -2.65 2.08 0.00 2.61 -1.32 -1.01 -4.91 115.64 110.45 3h0j s THR 1505Ca 0.00 -1.82 -0.16 0.00 -1.21 0.00 0.00 61.69 58.50 3h0j s THR 1505Cb 0.00 -2.90 -0.06 0.00 -1.51 0.00 0.00 72.50 68.03 3h0j s THR 1505CO 0.00 0.00 0.44 -0.89 -2.21 0.00 0.00 174.62 171.96 3h0j s THR 1506N -2.67 4.99 0.18 5.08 2.01 -1.26 -3.55 115.64 120.42 3h0j s THR 1506Ca 0.36 0.92 -0.32 0.00 0.31 0.00 0.00 61.69 62.96 3h0j s THR 1506Cb 0.06 -3.75 -0.12 0.00 0.01 0.00 0.00 72.50 68.70 3h0j s THR 1506CO 0.19 0.56 1.76 0.00 -0.69 0.00 0.00 174.62 176.44 3h0j n TYR 1507N 1.94 2.71 -0.25 4.92 -0.00 -1.26 -4.87 117.16 120.35 3h0j n TYR 1507Ca -0.13 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.90 57.70 3h0j n TYR 1507Cb 0.52 -2.69 -0.06 0.00 -0.00 0.00 0.00 39.34 37.11 3h0j n TYR 1507CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 3h0j n VAL 1508N 4.17 -0.40 0.36 2.97 0.31 -1.26 0.69 118.33 125.16 3h0j n VAL 1508Ca 0.17 1.47 0.03 0.00 -0.01 0.00 0.00 64.34 66.00 3h0j n VAL 1508Cb 0.35 -1.82 0.18 0.00 -0.91 0.00 0.00 33.84 31.65 3h0j n VAL 1508CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3h0j n TYR 1509N -4.65 0.00 1.00 3.52 4.02 -1.26 -1.89 117.16 117.89 3h0j n TYR 1509Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 3h0j n TYR 1509Cb 0.15 -0.23 0.09 0.00 -0.02 0.00 0.00 39.34 39.33 3h0j n TYR 1509CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3h0j n ASP 1510N -1.23 2.91 0.07 7.72 10.43 0.22 -4.32 116.55 132.34 3h0j n ASP 1510Ca 0.04 -1.96 -0.11 0.00 2.57 0.00 0.00 54.79 55.33 3h0j n ASP 1510Cb 0.05 0.04 -0.02 0.00 1.84 0.00 0.00 41.12 43.03 3h0j n ASP 1510CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3h0j h PHE 1511N 4.50 0.50 -0.00 1.24 -1.00 -1.42 -2.99 116.94 117.78 3h0j h PHE 1511Ca 0.00 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.51 3h0j h PHE 1511Cb 0.98 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 3h0j h PHE 1511CO 0.00 1.07 0.01 -1.35 -1.61 0.00 0.00 178.31 176.43 3h0j h PRO 1512N 0.20 0.00 -0.11 1.51 0.11 -1.77 -0.48 132.00 131.45 3h0j h PRO 1512Ca -0.06 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.83 3h0j h PRO 1512Cb 1.51 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.63 3h0j h PRO 1512CO 0.15 0.00 -0.79 1.49 -0.21 0.00 0.00 178.00 178.64 3h0j h GLU 1513N 0.00 0.73 -0.57 1.05 4.22 -1.80 -2.49 114.58 115.71 3h0j h GLU 1513Ca 0.00 -0.64 0.03 0.00 0.08 0.00 0.00 59.36 58.84 3h0j h GLU 1513Cb 0.02 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3h0j h GLU 1513CO -0.00 1.24 0.34 -0.07 -2.18 0.00 0.00 179.01 178.34 3h0j h LEU 1514N 0.43 0.53 -0.56 1.64 4.07 -1.11 -1.60 115.31 118.72 3h0j h LEU 1514Ca -0.07 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3h0j h LEU 1514Cb 1.43 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 43.04 3h0j h LEU 1514CO 0.16 0.37 0.28 -0.26 -1.08 0.00 0.00 178.44 177.91 3h0j h PHE 1515N 0.66 0.79 -0.52 1.13 -1.00 -1.36 -0.45 116.94 116.19 3h0j h PHE 1515Ca 0.24 -0.03 0.03 0.00 2.81 0.00 0.00 57.97 61.01 3h0j h PHE 1515Cb 0.06 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.34 3h0j h PHE 1515CO -0.07 0.60 0.30 -0.09 -1.61 0.00 0.00 178.31 177.44 3h0j h ARG 1516N 0.75 0.58 -0.19 1.51 2.43 -1.03 0.18 114.38 118.62 3h0j h ARG 1516Ca 0.19 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3h0j h ARG 1516Cb 0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3h0j h ARG 1516CO -0.03 0.38 0.10 1.96 -1.51 0.00 0.00 179.97 180.87 3h0j h GLN 1517N 0.60 0.20 -0.60 0.20 4.20 -0.81 0.30 115.11 119.20 3h0j h GLN 1517Ca 0.21 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.93 3h0j h GLN 1517Cb 0.04 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3h0j h GLN 1517CO -0.10 0.13 0.38 0.00 -0.67 0.00 0.00 178.83 178.57 3h0j h ALA 1518N 1.09 0.77 -0.71 3.87 0.00 -0.67 -0.76 119.26 122.87 3h0j h ALA 1518Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h0j h ALA 1518Cb 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3h0j h ALA 1518CO -0.05 0.13 0.47 0.77 0.00 0.00 0.00 179.25 180.57 3h0j h SER 1519N 0.75 0.80 -0.33 0.00 0.02 -0.20 -0.03 113.55 114.57 3h0j h SER 1519Ca 0.23 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3h0j h SER 1519Cb -0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3h0j h SER 1519CO -0.08 0.58 0.19 -1.28 -1.14 0.00 0.00 176.83 175.09 3h0j h SER 1520N 0.95 0.41 -0.60 3.07 0.87 -0.30 -1.88 113.55 116.07 3h0j h SER 1520Ca 0.26 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3h0j h SER 1520Cb -0.10 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3h0j h SER 1520CO -0.06 0.37 0.40 0.28 -0.53 0.00 0.00 176.83 177.29 3h0j h SER 1521N 0.42 0.68 -0.71 6.23 0.02 -0.65 -0.20 113.55 119.34 3h0j h SER 1521Ca 0.12 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.16 3h0j h SER 1521Cb 0.05 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.34 3h0j h SER 1521CO -0.02 0.49 0.32 -0.61 -1.14 0.00 0.00 176.83 175.88 3h0j h GLN 1522N 0.81 0.51 -0.26 3.45 4.15 -0.21 -1.00 115.11 122.56 3h0j h GLN 1522Ca 0.22 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 3h0j h GLN 1522Cb -0.09 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 3h0j h GLN 1522CO -0.05 0.34 -0.25 -1.49 -1.93 0.00 0.00 178.83 175.45 3h0j h TRP 1523N 0.52 0.75 -0.50 3.99 4.06 -0.66 -3.12 115.95 121.00 3h0j h TRP 1523Ca 0.37 -0.22 0.07 0.00 2.06 0.00 0.00 58.89 61.16 3h0j h TRP 1523Cb 0.46 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 3h0j h TRP 1523CO -0.13 0.94 0.18 0.87 -3.56 0.00 0.00 178.44 176.73 3h0j h LYS 1524N 0.34 0.35 0.00 0.49 1.79 -0.11 -0.61 116.57 118.83 3h0j h LYS 1524Ca 0.04 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3h0j h LYS 1524Cb 0.80 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3h0j h LYS 1524CO 0.06 0.23 -0.06 -0.91 -1.08 0.00 0.00 179.45 177.69 3h0j h ASN 1525N 0.36 0.00 0.39 0.86 -0.26 -1.29 -3.13 115.58 112.51 3h0j h ASN 1525Ca 0.24 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.72 3h0j h ASN 1525Cb 0.24 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.46 3h0j h ASN 1525CO -0.24 0.06 -1.82 0.33 -1.06 0.00 0.00 177.43 174.70 3h0j n PHE 1526N -3.19 0.67 -3.07 1.19 -0.00 -0.80 -4.86 117.46 107.40 3h0j n PHE 1526Ca 0.00 0.24 0.03 0.00 -0.00 0.00 0.00 57.45 57.72 3h0j n PHE 1526Cb 0.33 -1.07 -0.00 0.00 -0.00 0.00 0.00 39.48 38.74 3h0j n PHE 1526CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3h0j s SER 1527N -5.75 -0.97 0.23 -2.13 0.15 -0.30 -5.04 113.70 99.88 3h0j s SER 1527Ca -0.06 -0.18 -0.10 0.00 0.70 0.00 0.00 55.95 56.31 3h0j s SER 1527Cb 0.08 1.42 0.34 0.00 -1.71 0.00 0.00 66.02 66.15 3h0j s SER 1527CO 0.83 -0.14 1.63 0.00 1.20 0.00 0.00 173.24 176.76 3h0j h ALA 1528N 6.92 0.61 -0.02 5.45 0.00 -1.76 -3.20 119.26 127.26 3h0j h ALA 1528Ca -0.02 0.24 -0.66 0.00 0.00 0.00 0.00 54.91 54.46 3h0j h ALA 1528Cb 1.19 0.44 0.02 0.00 0.00 0.00 0.00 17.79 19.44 3h0j h ALA 1528CO 0.02 -0.42 2.55 -0.25 0.00 0.00 0.00 179.25 181.15 3h0j n ASP 1529N -5.38 3.01 -3.53 0.00 10.43 -1.26 -4.79 116.55 115.03 3h0j n ASP 1529Ca 0.11 -2.74 -0.14 0.00 2.57 0.00 0.00 54.79 54.59 3h0j n ASP 1529Cb 0.40 -1.32 -0.12 0.00 1.84 0.00 0.00 41.12 41.92 3h0j n ASP 1529CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3h0j s VAL 1530N 4.53 -0.42 -0.32 2.53 -7.23 -1.21 -5.12 120.40 113.16 3h0j s VAL 1530Ca 0.54 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 60.59 3h0j s VAL 1530Cb 0.14 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 3h0j s VAL 1530CO 0.05 -0.06 0.51 -0.75 -0.31 0.00 0.00 175.10 174.54 3h0j s LYS 1531N 2.41 3.78 -0.11 4.82 2.47 -1.26 -5.00 119.74 126.86 3h0j s LYS 1531Ca 0.06 0.00 -0.15 0.00 -1.56 0.00 0.00 55.97 54.32 3h0j s LYS 1531Cb -0.14 -3.75 -0.05 0.00 -1.46 0.00 0.00 37.83 32.43 3h0j s LYS 1531CO -0.11 -0.54 0.38 -0.51 0.16 0.00 0.00 175.35 174.73 3h0j s LEU 1532N 2.36 4.32 0.27 5.43 1.43 -1.26 -5.08 118.68 126.15 3h0j s LEU 1532Ca 0.19 0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 3h0j s LEU 1532Cb -0.15 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 43.48 3h0j s LEU 1532CO 0.12 0.13 0.58 0.42 0.23 0.00 0.00 176.35 177.83 3h0j s THR 1533N 0.08 4.93 0.59 5.49 -4.23 -1.26 -4.97 115.64 116.28 3h0j s THR 1533Ca 0.21 0.39 0.29 0.00 -1.18 0.00 0.00 61.69 61.40 3h0j s THR 1533Cb -0.15 -3.66 0.37 0.00 1.34 0.00 0.00 72.50 70.40 3h0j s THR 1533CO 0.08 -0.19 1.97 0.44 -0.54 0.00 0.00 174.62 176.38 3h0j h ASP 1534N 2.15 0.00 -0.05 3.99 3.45 -1.98 -1.42 116.42 122.56 3h0j h ASP 1534Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3h0j h ASP 1534Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3h0j h ASP 1534CO 0.68 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.45 3h0j n ASP 1535N -3.68 0.30 0.00 6.45 5.68 -1.26 -3.08 116.55 120.95 3h0j n ASP 1535Ca 0.05 -2.00 0.13 0.00 -0.50 0.00 0.00 54.79 52.47 3h0j n ASP 1535Cb 0.53 -0.04 0.61 0.00 -1.14 0.00 0.00 41.12 41.08 3h0j n ASP 1535CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3h0j n PHE 1536N -0.34 0.00 -3.80 2.11 1.16 -0.54 -4.67 117.46 111.39 3h0j n PHE 1536Ca 0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.47 3h0j n PHE 1536Cb 0.05 -0.42 -0.14 0.00 -1.61 0.00 0.00 39.48 37.36 3h0j n PHE 1536CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 3h0j s PHE 1537N -2.85 -0.12 -0.07 2.97 2.19 -1.18 -0.58 117.98 118.34 3h0j s PHE 1537Ca 0.18 0.34 -0.03 0.00 0.33 0.00 0.00 56.93 57.74 3h0j s PHE 1537Cb 0.18 -0.03 0.04 0.00 -1.31 0.00 0.00 43.02 41.90 3h0j s PHE 1537CO 0.46 -0.10 0.14 0.42 1.83 0.00 0.00 175.22 177.97 3h0j s ILE 1538N 0.56 -0.16 -0.15 3.12 1.01 -0.52 -5.00 121.20 120.05 3h0j s ILE 1538Ca -0.04 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.92 3h0j s ILE 1538Cb -0.06 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.17 3h0j s ILE 1538CO -0.02 0.12 -0.21 -0.55 0.00 0.00 0.00 174.94 174.28 3h0j s SER 1539N 1.81 3.07 -0.11 3.58 0.15 -1.26 -1.26 113.70 119.68 3h0j s SER 1539Ca -0.02 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.04 3h0j s SER 1539Cb -0.12 -1.43 0.02 0.00 -1.71 0.00 0.00 66.02 62.78 3h0j s SER 1539CO -0.06 0.05 -0.13 0.20 1.20 0.00 0.00 173.24 174.51 3h0j s ASN 1540N 0.97 2.31 0.63 5.45 0.01 -1.01 -4.96 114.94 118.34 3h0j s ASN 1540Ca -0.03 -0.39 -0.18 0.00 -0.71 0.00 0.00 52.86 51.55 3h0j s ASN 1540Cb -0.15 -1.01 -0.02 0.00 0.41 0.00 0.00 41.25 40.49 3h0j s ASN 1540CO -0.05 -0.02 1.26 -0.70 -1.51 0.00 0.00 177.10 176.07 3h0j s GLU 1541N 1.15 2.71 -0.10 -0.60 2.12 -1.13 -1.16 118.70 121.69 3h0j s GLU 1541Ca -0.04 1.96 0.02 0.00 0.36 0.00 0.00 54.97 57.27 3h0j s GLU 1541Cb -0.14 -1.88 -0.01 0.00 0.26 0.00 0.00 34.13 32.36 3h0j s GLU 1541CO -0.03 -1.45 -0.17 -0.51 -0.54 0.00 0.00 175.26 172.56 3h0j s LEU 1542N -4.27 2.49 0.06 2.70 1.43 -0.77 -0.76 118.68 119.56 3h0j s LEU 1542Ca 0.80 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3h0j s LEU 1542Cb -0.34 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3h0j s LEU 1542CO 0.37 0.20 0.15 0.27 0.23 0.00 0.00 176.35 177.57 3h0j s ILE 1543N 0.13 0.14 0.29 -0.59 -4.36 -0.68 -4.37 121.20 111.77 3h0j s ILE 1543Ca -0.09 -1.16 -0.27 0.00 -0.26 0.00 0.00 60.65 58.87 3h0j s ILE 1543Cb -0.15 -1.17 -0.09 0.00 1.25 0.00 0.00 42.46 42.29 3h0j s ILE 1543CO 0.05 -0.64 0.94 -1.61 0.24 0.00 0.00 174.94 173.92 3h0j s GLU 1544N -3.30 4.69 0.00 0.37 2.02 -1.26 -0.22 118.70 121.00 3h0j s GLU 1544Ca 0.01 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.38 3h0j s GLU 1544Cb 0.03 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3h0j s GLU 1544CO -0.08 0.38 0.00 -0.40 0.02 0.00 0.00 175.26 175.18 3h0j n ASP 1545N 0.94 0.00 0.30 -0.19 5.68 -0.60 -4.83 116.55 117.85 3h0j n ASP 1545Ca 0.00 -0.82 0.20 0.00 -0.50 0.00 0.00 54.79 53.68 3h0j n ASP 1545Cb 0.49 0.00 1.06 0.00 -1.14 0.00 0.00 41.12 41.52 3h0j n ASP 1545CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3h0j h GLU 1546N 0.00 0.00 -0.53 0.11 3.07 -1.97 -1.43 114.58 113.83 3h0j h GLU 1546Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3h0j h GLU 1546Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3h0j h GLU 1546CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 3h0j n ASN 1547N -2.92 3.93 -0.00 1.42 3.02 -1.26 -4.95 115.26 114.49 3h0j n ASN 1547Ca -0.02 -2.29 -0.00 0.00 -0.03 0.00 0.00 54.58 52.24 3h0j n ASN 1547Cb 0.09 -0.45 -0.00 0.00 -0.61 0.00 0.00 39.78 38.81 3h0j n ASN 1547CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h0j n GLY 1548N 0.85 0.42 3.65 7.41 0.00 -0.54 -5.01 105.19 111.97 3h0j n GLY 1548Ca 0.21 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3h0j n GLY 1548CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0j s GLU 1549N -0.35 4.09 0.35 1.61 0.41 -1.26 -4.69 118.70 118.85 3h0j s GLU 1549Ca 0.00 -0.05 -0.27 0.00 -0.41 0.00 0.00 54.97 54.24 3h0j s GLU 1549Cb 0.00 -3.57 -0.12 0.00 -1.78 0.00 0.00 34.13 28.66 3h0j s GLU 1549CO 0.00 -0.05 1.17 1.28 -0.49 0.00 0.00 175.26 177.17 3h0j n LEU 1550N 4.59 2.99 -3.70 1.80 4.77 -1.26 -1.56 117.00 124.63 3h0j n LEU 1550Ca -0.11 1.17 -0.14 0.00 -0.03 0.00 0.00 56.01 56.89 3h0j n LEU 1550Cb 0.51 -1.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 3h0j n LEU 1550CO 0.37 -0.89 0.14 0.28 -1.33 0.00 0.00 177.39 175.96 3h0j s THR 1551N -1.12 0.03 0.40 -5.08 -1.32 0.70 -4.88 115.64 104.36 3h0j s THR 1551Ca 0.58 -0.25 -0.25 0.00 -1.21 0.00 0.00 61.69 60.56 3h0j s THR 1551Cb -0.60 -0.70 -0.09 0.00 -1.51 0.00 0.00 72.50 69.61 3h0j s THR 1551CO 0.61 -0.14 1.13 -1.61 -2.21 0.00 0.00 174.62 172.39 3h0j s GLU 1552N -0.88 4.11 0.11 7.08 2.02 -1.26 -1.68 118.70 128.20 3h0j s GLU 1552Ca -0.09 1.73 -0.13 0.00 0.02 0.00 0.00 54.97 56.50 3h0j s GLU 1552Cb -0.04 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.56 3h0j s GLU 1552CO 0.04 -0.24 0.31 0.14 0.02 0.00 0.00 175.26 175.54 3h0j s VAL 1553N -1.48 0.10 -0.15 2.63 -7.23 0.06 -4.93 120.40 109.38 3h0j s VAL 1553Ca 0.57 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.89 3h0j s VAL 1553Cb -0.28 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.40 3h0j s VAL 1553CO 0.35 -0.44 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.90 3h0j s GLU 1554N -3.84 2.72 0.23 4.82 2.02 -1.26 -2.83 118.70 120.56 3h0j s GLU 1554Ca 0.05 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 3h0j s GLU 1554Cb 0.03 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.95 3h0j s GLU 1554CO -0.11 -0.16 0.39 2.89 0.02 0.00 0.00 175.26 178.30 3h0j n ARG 1555N 4.49 0.57 -3.16 1.61 1.85 -1.26 -5.11 116.66 115.64 3h0j n ARG 1555Ca -0.19 -1.49 -0.39 0.00 -1.00 0.00 0.00 57.85 54.77 3h0j n ARG 1555Cb 0.50 1.65 -0.06 0.00 -1.05 0.00 0.00 32.46 33.51 3h0j n ARG 1555CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3h0j s GLU 1556N -2.24 4.34 0.93 2.89 0.41 -1.26 -5.03 118.70 118.73 3h0j s GLU 1556Ca 0.13 0.85 -0.13 0.00 -0.41 0.00 0.00 54.97 55.41 3h0j s GLU 1556Cb -0.02 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.06 3h0j s GLU 1556CO 0.10 0.48 0.39 -2.30 -0.49 0.00 0.00 175.26 173.44 3h0j n PRO 1557N 2.21 -0.21 -0.90 0.39 -0.02 -1.26 -3.27 135.00 131.95 3h0j n PRO 1557Ca -0.07 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3h0j n PRO 1557Cb 0.50 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3h0j n PRO 1557CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h0j n GLY 1558N 1.56 0.62 0.49 -1.23 0.00 -1.26 -4.86 105.19 100.51 3h0j n GLY 1558Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3h0j n GLY 1558CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0j n ALA 1559N 1.00 2.55 -1.69 4.61 0.00 -1.20 -4.92 120.51 120.85 3h0j n ALA 1559Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 3h0j n ALA 1559Cb 0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3h0j n ALA 1559CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3h0j n ASN 1560N 0.19 4.02 0.13 0.00 0.23 -1.26 -4.90 115.26 113.67 3h0j n ASN 1560Ca 0.17 0.99 0.13 0.00 -0.53 0.00 0.00 54.58 55.34 3h0j n ASN 1560Cb 0.32 -1.54 0.33 0.00 -2.08 0.00 0.00 39.78 36.81 3h0j n ASN 1560CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h0j h ALA 1561N 8.47 0.98 -1.88 -2.53 0.00 -1.94 -3.46 119.26 118.91 3h0j h ALA 1561Ca -0.46 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 3h0j h ALA 1561Cb 1.22 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 3h0j h ALA 1561CO 0.95 0.00 -0.63 0.96 0.00 0.00 0.00 179.25 180.53 3h0j s ILE 1562N -3.14 1.79 -1.29 0.00 -4.36 -1.26 -5.03 121.20 107.92 3h0j s ILE 1562Ca 0.09 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 3h0j s ILE 1562Cb 0.10 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 41.03 3h0j s ILE 1562CO 0.62 -0.09 0.60 0.61 0.24 0.00 0.00 174.94 176.93 3h0j n GLY 1563N -0.80 0.73 2.84 6.27 0.00 -1.26 -4.71 105.19 108.25 3h0j n GLY 1563Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 3h0j n GLY 1563CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h0j s MET 1564N -1.29 0.58 0.26 1.61 0.00 -1.26 -0.66 119.30 118.54 3h0j s MET 1564Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 55.69 55.79 3h0j s MET 1564Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 34.83 34.04 3h0j s MET 1564CO 0.00 -0.15 -0.13 0.14 0.00 0.00 0.00 175.02 174.88 3h0j s VAL 1565N 1.21 1.96 0.08 10.11 -7.23 -0.71 -4.98 120.40 120.85 3h0j s VAL 1565Ca -0.07 -2.24 -0.12 0.00 -1.81 0.00 0.00 61.98 57.75 3h0j s VAL 1565Cb -0.14 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.52 3h0j s VAL 1565CO -0.02 -0.41 0.27 0.00 -0.31 0.00 0.00 175.10 174.63 3h0j s ALA 1566N -2.82 -0.53 0.02 1.32 0.00 -1.26 -1.58 121.76 116.91 3h0j s ALA 1566Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.96 3h0j s ALA 1566Cb -0.00 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3h0j s ALA 1566CO 0.12 -0.50 -0.03 -0.06 0.00 0.00 0.00 175.76 175.29 3h0j s PHE 1567N -3.36 0.25 -0.33 0.00 0.40 0.18 -1.84 117.98 113.27 3h0j s PHE 1567Ca 0.01 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 55.83 3h0j s PHE 1567Cb 0.02 -0.18 0.04 0.00 0.51 0.00 0.00 43.02 43.41 3h0j s PHE 1567CO -0.08 -0.16 0.08 0.21 0.70 0.00 0.00 175.22 175.97 3h0j s LYS 1568N -1.27 2.58 -0.11 0.44 2.20 -0.31 -1.06 119.74 122.21 3h0j s LYS 1568Ca -0.14 -1.20 -0.09 0.00 -0.36 0.00 0.00 55.97 54.18 3h0j s LYS 1568Cb -0.09 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3h0j s LYS 1568CO -0.01 -0.65 0.20 0.42 -0.36 0.00 0.00 175.35 174.95 3h0j s ILE 1569N 1.37 5.39 -0.15 5.43 1.01 -0.14 -2.42 121.20 131.70 3h0j s ILE 1569Ca -0.02 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.98 3h0j s ILE 1569Cb -0.20 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.82 3h0j s ILE 1569CO 0.02 0.58 -0.09 -0.89 0.00 0.00 0.00 174.94 174.56 3h0j s THR 1570N -0.82 1.25 -0.01 2.92 2.01 -0.39 -2.07 115.64 118.53 3h0j s THR 1570Ca 0.16 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.64 3h0j s THR 1570Cb -0.13 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 3h0j s THR 1570CO 0.05 0.28 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.44 3h0j s VAL 1571N 1.60 1.05 -0.19 3.82 1.01 -0.35 -1.44 120.40 125.89 3h0j s VAL 1571Ca 0.03 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 3h0j s VAL 1571Cb -0.14 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3h0j s VAL 1571CO -0.09 0.30 0.57 -0.54 0.00 0.00 0.00 175.10 175.34 3h0j s LYS 1572N -0.23 4.21 0.24 2.72 1.02 0.25 -1.16 119.74 126.79 3h0j s LYS 1572Ca 0.04 0.51 0.03 0.00 0.02 0.00 0.00 55.97 56.56 3h0j s LYS 1572Cb -0.06 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 3h0j s LYS 1572CO -0.00 -0.17 0.04 0.95 -0.92 0.00 0.00 175.35 175.25 3h0j s THR 1573N 1.69 0.84 0.26 2.17 -4.23 -0.00 -4.92 115.64 111.44 3h0j s THR 1573Ca 0.26 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3h0j s THR 1573Cb -0.16 -2.46 0.24 0.00 1.34 0.00 0.00 72.50 71.46 3h0j s THR 1573CO 0.10 -0.20 1.73 -0.65 -0.54 0.00 0.00 174.62 175.07 3h0j h PRO 1574N 2.43 0.48 0.00 3.99 0.11 -1.95 0.09 132.00 137.16 3h0j h PRO 1574Ca -0.38 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 3h0j h PRO 1574Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3h0j h PRO 1574CO 0.64 0.32 -0.61 1.05 -0.21 0.00 0.00 178.00 179.19 3h0j h GLU 1575N 0.50 0.00 -2.61 1.05 9.09 -1.91 -3.38 114.58 117.33 3h0j h GLU 1575Ca 0.46 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 59.27 3h0j h GLU 1575Cb 0.73 0.00 -0.39 0.00 -1.65 0.00 0.00 28.75 27.44 3h0j h GLU 1575CO -0.42 0.61 -0.84 0.71 0.05 0.00 0.00 179.01 179.12 3h0j s TYR 1576N -3.42 1.91 0.25 2.06 1.51 -0.12 -4.89 117.35 114.65 3h0j s TYR 1576Ca -0.00 -2.66 -0.04 0.00 -1.01 0.00 0.00 57.07 53.37 3h0j s TYR 1576Cb 0.11 -1.51 0.42 0.00 -0.11 0.00 0.00 41.96 40.87 3h0j s TYR 1576CO 0.75 -0.74 1.82 -1.35 -1.11 0.00 0.00 175.55 174.92 3h0j h PRO 1577N 5.58 0.81 -0.00 -1.71 0.11 -1.37 0.37 132.00 135.79 3h0j h PRO 1577Ca 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3h0j h PRO 1577Cb 0.86 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3h0j h PRO 1577CO 0.48 0.54 -0.00 0.54 -0.21 0.00 0.00 178.00 179.35 3h0j n ARG 1578N -4.71 1.12 0.00 1.05 1.74 -1.26 -4.53 116.66 110.07 3h0j n ARG 1578Ca 0.14 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3h0j n ARG 1578Cb 0.28 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3h0j n ARG 1578CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0j n GLY 1579N 1.04 3.13 3.09 -0.13 0.00 -0.46 -4.92 105.19 106.94 3h0j n GLY 1579Ca 0.23 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 3h0j n GLY 1579CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h0j s ARG 1580N -4.28 0.40 0.34 1.61 1.70 -0.31 -4.90 118.95 113.50 3h0j s ARG 1580Ca 0.00 -0.18 0.10 0.00 -0.47 0.00 0.00 55.73 55.17 3h0j s ARG 1580Cb 0.00 0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 3h0j s ARG 1580CO 0.00 -0.09 -0.10 -0.65 -1.08 0.00 0.00 175.30 173.39 3h0j s GLN 1581N -0.90 1.83 -0.02 3.89 -0.21 -1.26 -1.21 119.66 121.78 3h0j s GLN 1581Ca -0.10 -1.91 -0.30 0.00 0.02 0.00 0.00 55.36 53.07 3h0j s GLN 1581Cb -0.05 -1.73 0.12 0.00 1.00 0.00 0.00 33.01 32.34 3h0j s GLN 1581CO 0.01 0.16 1.24 -0.59 -2.12 0.00 0.00 175.29 173.99 3h0j s PHE 1582N -2.59 -0.06 0.07 0.91 -0.12 -0.88 -4.39 117.98 110.91 3h0j s PHE 1582Ca 0.32 -0.05 0.09 0.00 -0.05 0.00 0.00 56.93 57.24 3h0j s PHE 1582Cb 0.02 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 3h0j s PHE 1582CO 0.17 -0.33 -0.26 0.14 -0.05 0.00 0.00 175.22 174.89 3h0j s VAL 1583N -2.53 2.09 -0.10 -2.49 -7.23 -1.00 -0.97 120.40 108.17 3h0j s VAL 1583Ca 0.13 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 3h0j s VAL 1583Cb 0.04 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 3h0j s VAL 1583CO -0.03 0.26 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.21 3h0j s VAL 1584N -0.88 3.18 -0.02 1.32 1.01 -0.22 -0.79 120.40 124.00 3h0j s VAL 1584Ca 0.11 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3h0j s VAL 1584Cb -0.10 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3h0j s VAL 1584CO 0.03 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 3h0j s VAL 1585N -0.16 1.17 0.12 2.92 1.01 0.48 -0.64 120.40 125.29 3h0j s VAL 1585Ca -0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 3h0j s VAL 1585Cb -0.13 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.30 3h0j s VAL 1585CO 0.03 0.34 0.43 0.00 0.00 0.00 0.00 175.10 175.90 3h0j s ALA 1586N -0.18 -1.04 0.35 5.51 0.00 -0.61 -0.29 121.76 125.50 3h0j s ALA 1586Ca 0.02 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.94 3h0j s ALA 1586Cb -0.07 0.68 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 3h0j s ALA 1586CO 0.00 -0.64 0.72 -0.80 0.00 0.00 0.00 175.76 175.04 3h0j s ASN 1587N -2.70 6.62 -0.69 0.00 0.01 -1.17 -1.73 114.94 115.29 3h0j s ASN 1587Ca 0.02 1.14 -0.15 0.00 -0.71 0.00 0.00 52.86 53.15 3h0j s ASN 1587Cb 0.01 -2.32 0.17 0.00 0.41 0.00 0.00 41.25 39.52 3h0j s ASN 1587CO -0.11 -0.28 0.65 -0.62 -1.51 0.00 0.00 177.10 175.23 3h0j s ASP 1588N -2.74 6.48 0.58 -1.22 3.68 0.17 -4.79 116.67 118.83 3h0j s ASP 1588Ca 0.51 -2.21 0.29 0.00 2.13 0.00 0.00 52.55 53.28 3h0j s ASP 1588Cb -0.10 -2.22 1.59 0.00 -1.45 0.00 0.00 42.92 40.74 3h0j s ASP 1588CO 0.25 -0.74 1.88 -0.29 0.13 0.00 0.00 175.17 176.40 3h0j h ILE 1589N 5.36 0.00 0.01 4.11 6.09 -1.87 0.43 117.51 131.64 3h0j h ILE 1589Ca -0.09 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.13 3h0j h ILE 1589Cb 1.07 0.65 -0.04 0.00 0.47 0.00 0.00 36.82 38.97 3h0j h ILE 1589CO 0.91 0.00 -1.47 0.71 -3.07 0.00 0.00 178.15 175.23 3h0j h THR 1590N 0.00 1.15 -3.10 2.19 1.35 -1.90 -3.22 112.91 109.37 3h0j h THR 1590Ca 0.00 -2.94 -0.55 0.00 -0.55 0.00 0.00 66.41 62.37 3h0j h THR 1590Cb 0.46 2.59 -0.07 0.00 -1.73 0.00 0.00 68.15 69.40 3h0j h THR 1590CO 0.00 0.69 1.02 0.12 -0.25 0.00 0.00 175.52 177.10 3h0j s PHE 1591N -2.63 2.50 -1.42 4.73 5.99 0.13 -3.83 117.98 123.45 3h0j s PHE 1591Ca -0.04 0.46 -0.03 0.00 0.00 0.00 0.00 56.93 57.33 3h0j s PHE 1591Cb 0.08 -4.46 0.02 0.00 0.00 0.00 0.00 43.02 38.66 3h0j s PHE 1591CO 0.82 -1.73 0.55 1.63 -0.00 0.00 0.00 175.22 176.50 3h0j n LYS 1592N 8.47 -3.80 -1.60 10.12 4.76 -1.26 -0.43 118.16 134.41 3h0j n LYS 1592Ca 0.10 0.46 -0.08 0.00 -2.87 0.00 0.00 58.31 55.92 3h0j n LYS 1592Cb 0.49 -4.79 -0.03 0.00 -1.84 0.00 0.00 35.03 28.86 3h0j n LYS 1592CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3h0j n ILE 1593N -4.39 -0.12 -2.35 -0.18 -5.35 -1.24 -0.80 119.36 104.94 3h0j n ILE 1593Ca -0.25 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 3h0j n ILE 1593Cb 0.66 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 3h0j n ILE 1593CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h0j n GLY 1594N -0.32 -0.08 3.79 3.28 0.00 0.43 -3.66 105.19 108.64 3h0j n GLY 1594Ca -0.09 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 3h0j n GLY 1594CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0j s SER 1595N -2.57 5.37 -0.44 1.61 1.04 0.02 -3.06 113.70 115.67 3h0j s SER 1595Ca 0.05 1.82 -0.19 0.00 0.48 0.00 0.00 55.95 58.10 3h0j s SER 1595Cb -0.02 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.60 3h0j s SER 1595CO 0.06 -1.45 0.56 -0.36 0.98 0.00 0.00 173.24 173.03 3h0j s PHE 1596N -2.61 3.10 0.28 5.02 0.40 0.12 -4.82 117.98 119.48 3h0j s PHE 1596Ca 0.63 -0.21 0.10 0.00 -0.60 0.00 0.00 56.93 56.85 3h0j s PHE 1596Cb -0.17 -3.18 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 3h0j s PHE 1596CO 0.44 -0.82 -0.02 0.20 0.70 0.00 0.00 175.22 175.72 3h0j s GLY 1597N 1.96 1.75 0.24 4.36 0.00 -1.26 -1.35 107.32 113.03 3h0j s GLY 1597Ca 0.18 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 43.05 3h0j s GLY 1597CO 0.17 -1.78 1.47 -1.05 0.00 0.00 0.00 173.10 171.91 3h0j n PRO 1598N -0.88 -0.16 -0.21 2.90 -0.02 -1.26 -0.30 135.00 135.07 3h0j n PRO 1598Ca -0.06 1.47 -0.06 0.00 -2.02 0.00 0.00 63.50 62.82 3h0j n PRO 1598Cb 0.60 -2.18 0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3h0j n PRO 1598CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3h0j h GLN 1599N 0.00 0.82 -0.34 -0.52 4.20 -1.96 0.47 115.11 117.77 3h0j h GLN 1599Ca 0.39 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 3h0j h GLN 1599Cb 0.63 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3h0j h GLN 1599CO -0.96 0.59 0.11 0.93 -0.67 0.00 0.00 178.83 178.84 3h0j h GLU 1600N 0.81 0.53 -0.46 1.46 3.07 -1.08 -2.24 114.58 116.67 3h0j h GLU 1600Ca 0.21 -0.11 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 3h0j h GLU 1600Cb -0.01 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.78 3h0j h GLU 1600CO -0.04 0.55 0.20 -0.44 -1.40 0.00 0.00 179.01 177.88 3h0j h ASP 1601N 0.40 0.25 0.13 1.42 3.45 -0.16 0.48 116.42 122.38 3h0j h ASP 1601Ca 0.11 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.53 3h0j h ASP 1601Cb 0.25 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 3h0j h ASP 1601CO -0.00 0.18 -0.27 1.05 -1.57 0.00 0.00 179.24 178.62 3h0j h GLU 1602N 0.39 0.24 -0.29 3.56 -0.00 -0.83 -1.31 114.58 116.35 3h0j h GLU 1602Ca 0.21 -0.08 -0.08 0.00 -0.00 0.00 0.00 59.36 59.40 3h0j h GLU 1602Cb 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.89 3h0j h GLU 1602CO -0.18 0.50 -0.14 0.35 -0.00 0.00 0.00 179.01 179.54 3h0j h PHE 1603N 0.22 0.70 0.60 2.06 3.57 -0.70 0.31 116.94 123.70 3h0j h PHE 1603Ca 0.03 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 3h0j h PHE 1603Cb 0.60 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 3h0j h PHE 1603CO 0.01 0.84 -0.34 0.35 -2.23 0.00 0.00 178.31 176.94 3h0j h PHE 1604N 0.35 -0.89 -0.74 0.41 3.57 -0.67 0.78 116.94 119.76 3h0j h PHE 1604Ca 0.07 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.66 3h0j h PHE 1604Cb 0.65 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 3h0j h PHE 1604CO 0.06 -0.53 0.36 -0.97 -2.23 0.00 0.00 178.31 175.00 3h0j h ASN 1605N -0.88 0.44 -0.91 0.41 -0.73 -1.22 0.25 115.58 112.94 3h0j h ASN 1605Ca -0.08 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 3h0j h ASN 1605Cb 0.70 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.25 3h0j h ASN 1605CO 0.10 0.23 0.57 0.50 -0.37 0.00 0.00 177.43 178.46 3h0j h LYS 1606N 0.58 1.23 -0.24 6.67 1.63 -0.47 -1.25 116.57 124.72 3h0j h LYS 1606Ca 0.38 -0.10 -0.14 0.00 -0.85 0.00 0.00 60.65 59.93 3h0j h LYS 1606Cb 0.45 -0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3h0j h LYS 1606CO -0.30 0.84 -0.41 0.28 -3.45 0.00 0.00 179.45 176.41 3h0j h VAL 1607N 1.25 1.31 -0.47 2.00 2.07 0.22 -1.62 116.25 121.01 3h0j h VAL 1607Ca 0.33 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 66.30 3h0j h VAL 1607Cb -0.08 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 3h0j h VAL 1607CO -0.06 0.51 0.15 0.74 0.02 0.00 0.00 177.57 178.92 3h0j h THR 1608N 0.41 0.82 -0.32 2.57 2.02 -0.63 0.12 112.91 117.89 3h0j h THR 1608Ca 0.02 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 3h0j h THR 1608Cb 1.01 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3h0j h THR 1608CO 0.09 0.06 -0.06 -0.33 0.37 0.00 0.00 175.52 175.65 3h0j h GLU 1609N 0.31 0.52 0.39 6.66 5.08 -1.20 0.28 114.58 126.62 3h0j h GLU 1609Ca 0.23 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3h0j h GLU 1609Cb 0.25 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3h0j h GLU 1609CO -0.25 0.60 -0.36 -0.92 -1.00 0.00 0.00 179.01 177.08 3h0j h TYR 1610N 0.49 -0.97 -0.00 4.33 3.20 0.17 0.19 116.97 124.38 3h0j h TYR 1610Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3h0j h TYR 1610Cb 0.42 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 3h0j h TYR 1610CO 0.01 -0.51 0.00 0.00 -1.64 0.00 0.00 178.16 176.03 3h0j h ALA 1611N -0.32 0.01 -0.10 1.82 0.00 -0.74 -2.70 119.26 117.22 3h0j h ALA 1611Ca -0.03 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h0j h ALA 1611Cb 0.68 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3h0j h ALA 1611CO -0.05 -0.49 -0.23 0.00 0.00 0.00 0.00 179.25 178.48 3h0j h ARG 1612N 0.00 -0.29 -0.92 0.00 3.08 -0.76 0.21 114.38 115.70 3h0j h ARG 1612Ca 0.00 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.22 3h0j h ARG 1612Cb 0.00 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.02 3h0j h ARG 1612CO -0.00 -0.19 0.53 -0.22 -1.07 0.00 0.00 179.97 179.02 3h0j h LYS 1613N -0.30 0.74 -0.00 0.04 3.64 -0.52 0.16 116.57 120.32 3h0j h LYS 1613Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3h0j h LYS 1613Cb 0.44 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3h0j h LYS 1613CO -0.28 0.49 -0.08 0.54 -2.27 0.00 0.00 179.45 177.85 3h0j n ARG 1614N -4.77 0.88 -1.48 1.90 1.74 -0.69 -4.92 116.66 109.31 3h0j n ARG 1614Ca 0.19 -0.31 -0.14 0.00 -0.77 0.00 0.00 57.85 56.82 3h0j n ARG 1614Cb 0.44 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 3h0j n ARG 1614CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0j n GLY 1615N 1.22 1.37 3.95 -0.13 0.00 0.65 -4.73 105.19 107.52 3h0j n GLY 1615Ca 0.17 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 3h0j n GLY 1615CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h0j s ILE 1616N -2.55 5.29 0.80 -0.61 -4.36 -0.75 0.11 121.20 119.13 3h0j s ILE 1616Ca 0.00 -0.77 -0.14 0.00 -0.26 0.00 0.00 60.65 59.48 3h0j s ILE 1616Cb 0.00 -3.76 0.07 0.00 1.25 0.00 0.00 42.46 40.01 3h0j s ILE 1616CO 0.00 -0.15 1.10 -2.65 0.24 0.00 0.00 174.94 173.48 3h0j n PRO 1617N -0.77 0.20 -3.84 0.37 -0.02 -1.26 -4.46 135.00 125.23 3h0j n PRO 1617Ca -0.08 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 3h0j n PRO 1617Cb 0.55 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 3h0j n PRO 1617CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3h0j s ARG 1618N -3.93 1.15 -0.17 -0.52 3.52 -0.55 -2.38 118.95 116.07 3h0j s ARG 1618Ca 0.72 -0.78 -0.14 0.00 -0.13 0.00 0.00 55.73 55.40 3h0j s ARG 1618Cb -0.30 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 3h0j s ARG 1618CO 0.52 -0.65 0.32 0.42 -0.81 0.00 0.00 175.30 175.09 3h0j s ILE 1619N 1.59 5.28 -0.14 4.11 -1.09 0.03 -2.91 121.20 128.06 3h0j s ILE 1619Ca -0.02 0.58 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 3h0j s ILE 1619Cb -0.18 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 3h0j s ILE 1619CO -0.08 0.35 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.31 3h0j s TYR 1620N 0.71 2.70 -0.46 3.97 6.04 -0.59 -0.38 117.35 129.34 3h0j s TYR 1620Ca 0.17 -1.23 -0.14 0.00 0.04 0.00 0.00 57.07 55.91 3h0j s TYR 1620Cb -0.13 -1.84 0.07 0.00 -1.04 0.00 0.00 41.96 39.02 3h0j s TYR 1620CO 0.05 -0.56 0.37 -0.51 -1.54 0.00 0.00 175.55 173.36 3h0j s LEU 1621N 0.80 5.53 -0.18 6.97 1.43 0.60 0.04 118.68 133.87 3h0j s LEU 1621Ca -0.07 -1.36 -0.22 0.00 -1.03 0.00 0.00 54.13 51.45 3h0j s LEU 1621Cb -0.16 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 3h0j s LEU 1621CO -0.01 -0.62 0.70 0.00 0.23 0.00 0.00 176.35 176.64 3h0j s ALA 1622N 1.60 3.52 -0.38 4.21 0.00 -0.34 -3.02 121.76 127.35 3h0j s ALA 1622Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.91 3h0j s ALA 1622Cb -0.24 -3.05 0.18 0.00 0.00 0.00 0.00 23.12 20.01 3h0j s ALA 1622CO 0.06 -0.56 0.56 0.00 0.00 0.00 0.00 175.76 175.82 3h0j s ALA 1623N 1.92 -1.92 0.00 0.00 0.00 -1.26 -2.09 121.76 118.41 3h0j s ALA 1623Ca 0.32 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3h0j s ALA 1623Cb -0.16 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.42 3h0j s ALA 1623CO 0.11 -2.13 0.00 0.27 0.00 0.00 0.00 175.76 174.02 3h0j n ASN 1624N 4.57 0.00 -2.24 0.00 0.23 -0.27 -4.24 115.26 113.31 3h0j n ASN 1624Ca 0.10 -0.80 0.01 0.00 -0.53 0.00 0.00 54.58 53.35 3h0j n ASN 1624Cb 0.54 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.28 3h0j n ASN 1624CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3h0j n SER 1625N -1.68 0.86 -0.01 0.53 3.41 -1.17 -4.29 113.62 111.27 3h0j n SER 1625Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 3h0j n SER 1625Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3h0j n SER 1625CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h0j n GLY 1626N -0.29 -0.81 3.77 5.00 0.00 -1.22 -4.82 105.19 106.83 3h0j n GLY 1626Ca 0.01 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 3h0j n GLY 1626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0j s ALA 1627N -1.29 2.98 0.14 4.61 0.00 -1.26 0.11 121.76 127.05 3h0j s ALA 1627Ca 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 3h0j s ALA 1627Cb 0.00 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3h0j s ALA 1627CO 0.00 -0.58 1.34 0.50 0.00 0.00 0.00 175.76 177.02 3h0j s ARG 1628N -2.70 4.36 0.08 0.00 3.52 -0.45 -4.65 118.95 119.11 3h0j s ARG 1628Ca 0.63 2.04 -0.03 0.00 -0.13 0.00 0.00 55.73 58.24 3h0j s ARG 1628Cb -0.27 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 3h0j s ARG 1628CO 0.33 -0.35 0.28 0.96 -0.81 0.00 0.00 175.30 175.70 3h0j s ILE 1629N 0.73 5.30 0.24 4.11 -0.00 -1.26 -4.51 121.20 125.81 3h0j s ILE 1629Ca 0.61 -0.15 -0.17 0.00 -0.00 0.00 0.00 60.65 60.93 3h0j s ILE 1629Cb -0.36 -3.62 0.02 0.00 -0.00 0.00 0.00 42.46 38.50 3h0j s ILE 1629CO 0.33 0.14 0.58 -0.83 -0.00 0.00 0.00 174.94 175.16 3h0j s GLY 1630N -2.35 0.10 -0.25 6.27 0.00 -0.54 -4.81 107.32 105.73 3h0j s GLY 1630Ca 0.36 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 3h0j s GLY 1630CO 0.25 -0.31 0.62 -0.29 0.00 0.00 0.00 173.10 173.37 3h0j s MET 1631N -3.93 0.65 -0.68 2.90 0.00 -1.26 -4.75 119.30 112.23 3h0j s MET 1631Ca 0.14 1.08 -0.25 0.00 0.00 0.00 0.00 55.69 56.66 3h0j s MET 1631Cb -0.03 0.14 -0.12 0.00 0.00 0.00 0.00 34.83 34.82 3h0j s MET 1631CO 0.04 -0.14 2.42 0.00 0.00 0.00 0.00 175.02 177.34 3h0j n ALA 1632N 4.04 0.57 0.25 4.11 0.00 -1.26 -4.75 120.51 123.47 3h0j n ALA 1632Ca -0.20 -1.11 0.14 0.00 0.00 0.00 0.00 53.44 52.27 3h0j n ALA 1632Cb 0.58 -3.16 0.54 0.00 0.00 0.00 0.00 19.45 17.41 3h0j n ALA 1632CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3h0j h GLU 1633N 15.75 0.00 0.00 0.00 4.39 -2.00 -3.02 114.58 129.70 3h0j h GLU 1633Ca -0.11 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3h0j h GLU 1633Cb 1.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3h0j h GLU 1633CO 1.12 0.09 -0.33 1.05 -1.16 0.00 0.00 179.01 179.79 3h0j h GLU 1634N 0.00 0.00 -0.00 2.33 9.09 -2.03 -2.75 114.58 121.22 3h0j h GLU 1634Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3h0j h GLU 1634Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 3h0j h GLU 1634CO 0.01 0.33 -0.48 -0.89 0.05 0.00 0.00 179.01 178.03 3h0j n ILE 1635N -3.57 0.00 -0.02 -1.06 2.08 -1.14 -4.28 119.36 111.37 3h0j n ILE 1635Ca -0.01 -0.02 -0.11 0.00 0.56 0.00 0.00 62.75 63.18 3h0j n ILE 1635Cb 0.46 0.29 -0.05 0.00 -0.75 0.00 0.00 39.64 39.59 3h0j n ILE 1635CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3h0j h VAL 1636N 0.17 1.08 0.42 1.39 2.07 -1.52 -3.32 116.25 116.54 3h0j h VAL 1636Ca 0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3h0j h VAL 1636Cb 0.50 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3h0j h VAL 1636CO 0.00 0.07 -0.20 -0.65 0.02 0.00 0.00 177.57 176.81 3h0j h PRO 1637N 0.11 -0.54 -3.25 1.57 0.11 -1.75 -3.38 132.00 124.88 3h0j h PRO 1637Ca 0.04 0.04 -0.69 0.00 0.11 0.00 0.00 66.00 65.50 3h0j h PRO 1637Cb 0.06 0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 3h0j h PRO 1637CO -0.01 -0.36 3.52 1.47 -0.21 0.00 0.00 178.00 182.42 3h0j n LEU 1638N -4.14 8.18 -3.88 2.35 -0.00 -1.25 -4.88 117.00 113.37 3h0j n LEU 1638Ca -0.07 -4.36 -0.11 0.00 -0.00 0.00 0.00 56.01 51.47 3h0j n LEU 1638Cb 0.22 -1.57 -0.13 0.00 -0.00 0.00 0.00 43.42 41.95 3h0j n LEU 1638CO 0.17 1.81 -0.30 0.72 -0.00 0.00 0.00 177.39 179.78 3h0j s PHE 1639N 2.15 0.02 0.11 1.47 -0.12 -1.25 -4.87 117.98 115.49 3h0j s PHE 1639Ca 0.62 -0.03 0.07 0.00 -0.05 0.00 0.00 56.93 57.55 3h0j s PHE 1639Cb 0.17 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 3h0j s PHE 1639CO -0.07 -0.08 -0.10 -0.65 -0.05 0.00 0.00 175.22 174.26 3h0j s GLN 1640N -0.41 2.10 0.09 1.99 -1.52 0.23 -4.96 119.66 117.17 3h0j s GLN 1640Ca -0.05 -1.05 0.00 0.00 -1.95 0.00 0.00 55.36 52.31 3h0j s GLN 1640Cb -0.03 -2.28 -0.04 0.00 -0.22 0.00 0.00 33.01 30.44 3h0j s GLN 1640CO -0.00 0.50 0.24 0.08 -0.25 0.00 0.00 175.29 175.86 3h0j s VAL 1641N -1.24 5.36 -0.66 1.09 1.01 -1.26 -0.22 120.40 124.47 3h0j s VAL 1641Ca 0.21 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3h0j s VAL 1641Cb -0.11 -3.66 0.30 0.00 0.00 0.00 0.00 36.38 32.91 3h0j s VAL 1641CO 0.14 0.08 0.93 0.00 0.00 0.00 0.00 175.10 176.24 3h0j n ALA 1642N 0.08 4.50 -0.34 5.51 0.00 -0.83 -4.85 120.51 124.58 3h0j n ALA 1642Ca -0.05 -4.74 0.22 0.00 0.00 0.00 0.00 53.44 48.86 3h0j n ALA 1642Cb 0.52 -0.97 0.48 0.00 0.00 0.00 0.00 19.45 19.48 3h0j n ALA 1642CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3h0j h TRP 1643N 3.73 0.76 -3.56 0.00 6.55 -1.85 -0.54 115.95 121.04 3h0j h TRP 1643Ca 0.19 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.05 3h0j h TRP 1643Cb 0.57 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 3h0j h TRP 1643CO 0.82 0.05 0.00 0.09 -1.05 0.00 0.00 178.44 178.34 3h0j n ASN 1644N -4.71 0.00 0.00 -3.49 3.02 -1.26 -4.21 115.26 104.60 3h0j n ASN 1644Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 3h0j n ASN 1644Cb 0.87 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 3h0j n ASN 1644CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3h0j n ASP 1645N 0.22 1.15 0.00 6.41 8.00 -1.26 -4.90 116.55 126.18 3h0j n ASP 1645Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3h0j n ASP 1645Cb 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3h0j n ASP 1645CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0j n ALA 1646N -0.69 0.00 1.95 2.24 0.00 -1.26 -4.96 120.51 117.78 3h0j n ALA 1646Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3h0j n ALA 1646Cb 0.08 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.36 3h0j n ALA 1646CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h0j n ALA 1647N -0.22 2.64 -2.92 0.00 0.00 -1.26 -4.70 120.51 114.05 3h0j n ALA 1647Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 3h0j n ALA 1647Cb 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.85 3h0j n ALA 1647CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0j s ASN 1648N -1.90 3.84 0.00 0.00 4.22 -1.26 -5.08 114.94 114.76 3h0j s ASN 1648Ca 0.42 -0.34 0.00 0.00 -2.14 0.00 0.00 52.86 50.80 3h0j s ASN 1648Cb 0.19 -1.35 0.00 0.00 1.28 0.00 0.00 41.25 41.37 3h0j s ASN 1648CO 0.32 0.21 0.90 -2.65 -2.04 0.00 0.00 177.10 173.84 3h0j n PRO 1649N 3.20 0.00 -0.34 3.55 -0.02 -1.26 -3.51 135.00 136.62 3h0j n PRO 1649Ca -0.18 0.73 0.26 0.00 -2.02 0.00 0.00 63.50 62.29 3h0j n PRO 1649Cb 0.53 -1.40 0.40 0.00 -0.02 0.00 0.00 33.50 33.01 3h0j n PRO 1649CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3h0j n ASP 1650N -2.30 0.02 -0.01 2.55 5.75 -1.26 -0.66 116.55 120.64 3h0j n ASP 1650Ca 0.00 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 3h0j n ASP 1650Cb 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3h0j n ASP 1650CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3h0j n LYS 1651N -3.10 0.43 -0.08 0.11 4.76 -1.23 -4.94 118.16 114.11 3h0j n LYS 1651Ca 0.22 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.67 3h0j n LYS 1651Cb 0.97 -1.01 -0.00 0.00 -1.84 0.00 0.00 35.03 33.15 3h0j n LYS 1651CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h0j n GLY 1652N -0.06 -1.89 3.34 0.72 0.00 0.17 -4.83 105.19 102.63 3h0j n GLY 1652Ca 0.00 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 3h0j n GLY 1652CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h0j s PHE 1653N -0.28 1.65 -0.17 1.61 -0.12 -1.26 -4.45 117.98 114.96 3h0j s PHE 1653Ca 0.00 -1.43 0.03 0.00 -0.05 0.00 0.00 56.93 55.48 3h0j s PHE 1653Cb 0.00 -0.85 -0.03 0.00 -0.63 0.00 0.00 43.02 41.51 3h0j s PHE 1653CO 0.00 -0.58 0.18 1.04 -0.05 0.00 0.00 175.22 175.81 3h0j n GLN 1654N -0.63 5.32 -3.93 1.99 6.02 -0.21 -4.93 117.38 121.02 3h0j n GLN 1654Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3h0j n GLN 1654Cb 0.64 -0.69 0.00 0.00 1.02 0.00 0.00 30.24 31.22 3h0j n GLN 1654CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3h0j n TYR 1655N -0.94 0.00 -4.25 1.08 0.18 -1.26 -5.02 117.16 106.95 3h0j n TYR 1655Ca 0.01 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 3h0j n TYR 1655Cb 0.05 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.89 3h0j n TYR 1655CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3h0j s LEU 1656N 0.00 2.26 0.26 -3.48 1.02 -1.26 -1.96 118.68 115.53 3h0j s LEU 1656Ca 0.00 -0.61 -0.10 0.00 0.02 0.00 0.00 54.13 53.44 3h0j s LEU 1656Cb 0.00 -0.64 -0.00 0.00 0.02 0.00 0.00 46.19 45.57 3h0j s LEU 1656CO 0.00 -0.02 0.46 -0.72 0.02 0.00 0.00 176.35 176.09 3h0j s TYR 1657N -1.16 0.56 -0.05 0.29 1.13 0.69 -1.11 117.35 117.70 3h0j s TYR 1657Ca 0.01 -0.89 0.06 0.00 -1.41 0.00 0.00 57.07 54.84 3h0j s TYR 1657Cb -0.10 0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 3h0j s TYR 1657CO 0.03 -1.01 -0.25 -0.51 -2.51 0.00 0.00 175.55 171.30 3h0j s LEU 1658N -3.07 2.10 0.89 -3.49 1.43 0.32 0.76 118.68 117.61 3h0j s LEU 1658Ca 0.25 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 3h0j s LEU 1658Cb -0.00 -1.37 0.15 0.00 0.03 0.00 0.00 46.19 45.00 3h0j s LEU 1658CO 0.11 0.27 1.24 0.42 0.23 0.00 0.00 176.35 178.62 3h0j s THR 1659N -0.31 2.03 0.48 5.49 -4.23 -1.26 -1.09 115.64 116.75 3h0j s THR 1659Ca 0.01 -0.06 0.13 0.00 -1.18 0.00 0.00 61.69 60.59 3h0j s THR 1659Cb -0.13 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 71.01 3h0j s THR 1659CO 0.02 0.00 2.11 0.28 -0.54 0.00 0.00 174.62 176.49 3h0j h SER 1660N -1.33 0.14 0.51 3.99 0.02 -1.99 -1.62 113.55 113.26 3h0j h SER 1660Ca -0.44 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.21 3h0j h SER 1660Cb 1.27 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 3h0j h SER 1660CO 0.47 0.12 -1.66 1.05 -1.14 0.00 0.00 176.83 175.67 3h0j h GLU 1661N 0.17 0.03 0.00 3.45 -0.00 -1.97 -3.13 114.58 113.13 3h0j h GLU 1661Ca 0.05 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.36 59.31 3h0j h GLU 1661Cb 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 28.77 3h0j h GLU 1661CO -0.01 0.63 -0.15 0.78 -0.00 0.00 0.00 179.01 180.26 3h0j h GLY 1662N 3.17 0.00 1.28 1.06 0.00 -1.83 -2.14 103.07 104.61 3h0j h GLY 1662Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.78 3h0j h GLY 1662CO 0.09 0.00 -1.17 1.98 0.00 0.00 0.00 176.54 177.44 3h0j h MET 1663N 0.00 0.61 -0.49 4.80 1.85 -1.39 -3.30 114.93 117.01 3h0j h MET 1663Ca -0.00 -0.76 -0.05 0.00 -0.61 0.00 0.00 59.70 58.27 3h0j h MET 1663Cb 0.67 0.24 -0.02 0.00 0.43 0.00 0.00 31.60 32.92 3h0j h MET 1663CO 0.02 1.33 0.09 1.49 -0.40 0.00 0.00 176.91 179.45 3h0j h GLU 1664N 0.29 0.80 -0.96 0.39 4.57 -1.41 -2.61 114.58 115.66 3h0j h GLU 1664Ca -0.16 -0.21 0.30 0.00 -1.18 0.00 0.00 59.36 58.11 3h0j h GLU 1664Cb 1.84 -0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 30.18 3h0j h GLU 1664CO 0.22 0.79 0.42 1.15 -1.18 0.00 0.00 179.01 180.41 3h0j h THR 1665N 0.68 0.25 0.44 0.32 2.02 -1.47 -0.91 112.91 114.24 3h0j h THR 1665Ca 0.15 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3h0j h THR 1665Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3h0j h THR 1665CO 0.01 0.04 -0.21 -0.07 0.37 0.00 0.00 175.52 175.66 3h0j h LEU 1666N 0.23 -0.50 -1.40 2.58 3.38 -1.61 -2.18 115.31 115.80 3h0j h LEU 1666Ca 0.68 0.02 0.35 0.00 0.09 0.00 0.00 57.88 59.02 3h0j h LEU 1666Cb 1.53 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 3h0j h LEU 1666CO -0.67 -0.08 1.19 0.50 0.09 0.00 0.00 178.44 179.47 3h0j h LYS 1667N -1.16 0.00 0.00 1.13 3.64 -0.84 0.32 116.57 119.66 3h0j h LYS 1667Ca -0.06 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 3h0j h LYS 1667Cb 0.46 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3h0j h LYS 1667CO 0.10 0.00 -1.10 1.17 -2.27 0.00 0.00 179.45 177.35 3h0j n LYS 1668N -3.49 0.53 0.00 1.90 3.00 -0.62 -4.11 118.16 115.38 3h0j n LYS 1668Ca 0.27 0.55 0.03 0.00 -0.00 0.00 0.00 58.31 59.16 3h0j n LYS 1668Cb 1.56 -1.72 0.15 0.00 0.00 0.00 0.00 35.03 35.02 3h0j n LYS 1668CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3h0j n PHE 1669N -4.48 0.00 -1.12 5.64 0.99 -0.05 -4.79 117.46 113.65 3h0j n PHE 1669Ca -0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.15 3h0j n PHE 1669Cb 0.57 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.04 3h0j n PHE 1669CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3h0j n ASP 1670N -0.75 -5.03 -2.68 4.37 2.03 -0.30 -4.88 116.55 109.32 3h0j n ASP 1670Ca 0.04 0.10 -0.36 0.00 0.52 0.00 0.00 54.79 55.10 3h0j n ASP 1670Cb 0.02 -2.90 0.04 0.00 -0.72 0.00 0.00 41.12 37.55 3h0j n ASP 1670CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3h0j n LYS 1671N -0.85 2.92 0.12 -0.67 5.02 -1.08 -4.70 118.16 118.91 3h0j n LYS 1671Ca -0.04 -3.71 -0.23 0.00 -2.02 0.00 0.00 58.31 52.31 3h0j n LYS 1671Cb 0.39 -2.27 -0.15 0.00 -0.02 0.00 0.00 35.03 32.98 3h0j n LYS 1671CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3h0j h GLU 1672N 2.69 0.46 -1.24 1.97 4.11 -1.90 -3.30 114.58 117.37 3h0j h GLU 1672Ca 0.51 -0.78 -0.11 0.00 0.07 0.00 0.00 59.36 59.05 3h0j h GLU 1672Cb 0.42 0.29 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3h0j h GLU 1672CO 1.31 1.37 0.14 0.27 0.07 0.00 0.00 179.01 182.18 3h0j n ASN 1673N -3.65 3.96 -1.06 3.06 6.94 -1.26 -3.84 115.26 119.41 3h0j n ASN 1673Ca -0.17 -2.43 0.11 0.00 -0.02 0.00 0.00 54.58 52.07 3h0j n ASN 1673Cb 1.09 -0.73 0.20 0.00 -2.36 0.00 0.00 39.78 37.97 3h0j n ASN 1673CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3h0j n SER 1674N 0.43 3.32 -3.82 0.53 7.64 -1.24 -4.86 113.62 115.62 3h0j n SER 1674Ca 0.12 -1.95 -0.09 0.00 1.01 0.00 0.00 58.87 57.95 3h0j n SER 1674Cb 0.67 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 3h0j n SER 1674CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3h0j s VAL 1675N -1.40 0.11 -0.39 0.44 -7.23 -1.25 -2.05 120.40 108.64 3h0j s VAL 1675Ca 0.35 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3h0j s VAL 1675Cb 0.21 -1.39 0.11 0.00 0.56 0.00 0.00 36.38 35.87 3h0j s VAL 1675CO 0.29 -0.51 0.15 -0.76 -0.31 0.00 0.00 175.10 173.96 3h0j s LEU 1676N -2.87 5.00 -0.03 1.32 2.01 -0.04 -4.91 118.68 119.17 3h0j s LEU 1676Ca 0.07 -2.16 0.01 0.00 0.01 0.00 0.00 54.13 52.06 3h0j s LEU 1676Cb 0.04 -1.73 -0.03 0.00 0.01 0.00 0.00 46.19 44.47 3h0j s LEU 1676CO -0.09 -0.45 -0.02 0.42 1.01 0.00 0.00 176.35 177.21 3h0j s THR 1677N 0.93 4.00 -0.49 5.49 -4.23 -1.26 0.39 115.64 120.48 3h0j s THR 1677Ca 0.10 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 3h0j s THR 1677Cb -0.21 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 71.02 3h0j s THR 1677CO -0.06 0.46 0.23 -0.70 -0.54 0.00 0.00 174.62 174.01 3h0j s GLU 1678N -1.28 1.84 0.33 3.99 2.12 -0.56 -4.92 118.70 120.23 3h0j s GLU 1678Ca 0.17 -2.47 -0.29 0.00 0.36 0.00 0.00 54.97 52.74 3h0j s GLU 1678Cb -0.11 -3.20 -0.11 0.00 0.26 0.00 0.00 34.13 30.97 3h0j s GLU 1678CO 0.07 -1.09 1.52 2.89 -0.54 0.00 0.00 175.26 178.10 3h0j n ARG 1679N 3.29 2.63 -3.64 4.30 1.85 -1.26 -3.10 116.66 120.73 3h0j n ARG 1679Ca 0.05 0.93 -0.14 0.00 -1.00 0.00 0.00 57.85 57.69 3h0j n ARG 1679Cb 0.33 -2.67 -0.07 0.00 -1.05 0.00 0.00 32.46 29.00 3h0j n ARG 1679CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3h0j s THR 1680N -0.59 0.00 0.03 8.89 -1.32 -0.09 -4.94 115.64 117.63 3h0j s THR 1680Ca 0.59 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 3h0j s THR 1680Cb -0.50 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 3h0j s THR 1680CO 0.57 -0.00 0.12 -0.69 -2.21 0.00 0.00 174.62 172.40 3h0j s VAL 1681N 0.17 4.88 -0.27 5.08 1.01 -1.26 -1.03 120.40 128.99 3h0j s VAL 1681Ca -0.01 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 3h0j s VAL 1681Cb -0.04 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.11 3h0j s VAL 1681CO 0.02 0.24 0.04 -0.51 0.00 0.00 0.00 175.10 174.89 3h0j s ILE 1682N -1.33 1.15 -0.14 2.22 2.07 -1.23 -4.92 121.20 119.02 3h0j s ILE 1682Ca 0.28 -1.29 -0.04 0.00 -1.41 0.00 0.00 60.65 58.18 3h0j s ILE 1682Cb -0.12 -1.70 0.01 0.00 0.13 0.00 0.00 42.46 40.78 3h0j s ILE 1682CO 0.20 -0.42 0.07 -0.46 -1.91 0.00 0.00 174.94 172.42 3h0j n ASN 1683N 4.77 -0.42 0.00 4.50 0.23 -1.26 -4.24 115.26 118.84 3h0j n ASN 1683Ca -0.05 -0.15 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 3h0j n ASN 1683Cb 0.44 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 3h0j n ASN 1683CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h0j n GLY 1684N -1.07 -0.52 3.95 4.83 0.00 -1.26 -5.15 105.19 105.97 3h0j n GLY 1684Ca -0.01 0.28 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 3h0j n GLY 1684CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0j s GLU 1685N 0.00 2.07 0.65 1.61 0.41 -1.26 -5.06 118.70 117.12 3h0j s GLU 1685Ca 0.00 -0.58 -0.17 0.00 -0.41 0.00 0.00 54.97 53.81 3h0j s GLU 1685Cb 0.00 -2.26 -0.01 0.00 -1.78 0.00 0.00 34.13 30.08 3h0j s GLU 1685CO 0.00 -1.23 1.19 -1.21 -0.49 0.00 0.00 175.26 173.52 3h0j s GLU 1686N -5.15 2.69 -0.26 1.61 2.02 -1.26 -3.48 118.70 114.87 3h0j s GLU 1686Ca 0.62 1.74 -0.04 0.00 0.02 0.00 0.00 54.97 57.30 3h0j s GLU 1686Cb -0.09 -1.90 0.09 0.00 0.10 0.00 0.00 34.13 32.33 3h0j s GLU 1686CO 0.44 -1.41 0.12 0.50 0.02 0.00 0.00 175.26 174.93 3h0j s ARG 1687N -3.63 0.16 -0.57 1.61 3.52 -0.19 -4.43 118.95 115.41 3h0j s ARG 1687Ca 0.75 -0.39 -0.22 0.00 -0.13 0.00 0.00 55.73 55.74 3h0j s ARG 1687Cb -0.28 -1.34 0.05 0.00 -1.56 0.00 0.00 34.95 31.82 3h0j s ARG 1687CO 0.38 -0.92 0.87 -0.06 -0.81 0.00 0.00 175.30 174.76 3h0j s PHE 1688N 2.12 2.82 0.26 5.12 0.40 -0.25 -0.91 117.98 127.55 3h0j s PHE 1688Ca 0.07 -0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 55.80 3h0j s PHE 1688Cb -0.16 -4.02 -0.09 0.00 0.51 0.00 0.00 43.02 39.26 3h0j s PHE 1688CO -0.29 -1.36 1.18 0.08 0.70 0.00 0.00 175.22 175.53 3h0j s VAL 1689N 3.65 3.33 -0.46 -0.44 1.01 -1.18 0.12 120.40 126.42 3h0j s VAL 1689Ca 0.24 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.25 3h0j s VAL 1689Cb -0.16 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3h0j s VAL 1689CO 0.15 0.27 0.85 -0.63 0.00 0.00 0.00 175.10 175.74 3h0j s ILE 1690N -0.84 4.56 -0.09 2.22 -1.09 -0.26 -1.50 121.20 124.19 3h0j s ILE 1690Ca 0.48 0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 59.43 3h0j s ILE 1690Cb -0.34 -4.38 -0.25 0.00 -1.58 0.00 0.00 42.46 35.90 3h0j s ILE 1690CO 0.42 -0.80 0.47 0.29 -1.23 0.00 0.00 174.94 174.10 3h0j n LYS 1691N 6.95 0.72 -3.65 2.79 4.76 0.16 -4.74 118.16 125.15 3h0j n LYS 1691Ca 0.04 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.62 3h0j n LYS 1691Cb 0.48 -1.74 -0.08 0.00 -1.84 0.00 0.00 35.03 31.86 3h0j n LYS 1691CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3h0j s THR 1692N -2.57 -0.00 -0.20 -0.18 2.01 -1.20 -5.00 115.64 108.49 3h0j s THR 1692Ca -0.16 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 3h0j s THR 1692Cb 0.07 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 3h0j s THR 1692CO 0.79 0.00 0.12 -0.63 -0.69 0.00 0.00 174.62 174.21 3h0j s ILE 1693N 0.52 5.29 -0.20 1.82 1.01 -1.26 -0.86 121.20 127.52 3h0j s ILE 1693Ca -0.01 0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.86 3h0j s ILE 1693Cb -0.05 -3.42 -0.17 0.00 0.01 0.00 0.00 42.46 38.83 3h0j s ILE 1693CO -0.02 0.43 -0.09 -0.38 0.00 0.00 0.00 174.94 174.88 3h0j n ILE 1694N 3.65 1.23 0.00 2.92 2.08 -0.91 -5.00 119.36 123.33 3h0j n ILE 1694Ca -0.16 -0.58 0.00 0.00 0.56 0.00 0.00 62.75 62.57 3h0j n ILE 1694Cb 0.52 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 3h0j n ILE 1694CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h0j n GLY 1695N 2.24 -2.64 0.01 7.39 0.00 -0.87 -4.85 105.19 106.47 3h0j n GLY 1695Ca -0.35 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.43 3h0j n GLY 1695CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h0j n SER 1696N -1.58 0.52 -4.76 1.61 3.41 -1.26 -4.75 113.62 106.82 3h0j n SER 1696Ca 0.00 -0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.06 3h0j n SER 1696Cb 0.00 1.75 -0.06 0.00 -0.26 0.00 0.00 64.21 65.64 3h0j n SER 1696CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3h0j s GLU 1697N -3.29 4.20 0.31 4.33 2.12 -1.26 -5.07 118.70 120.04 3h0j s GLU 1697Ca -0.05 0.44 -0.23 0.00 0.36 0.00 0.00 54.97 55.49 3h0j s GLU 1697Cb 0.13 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 31.07 3h0j s GLU 1697CO 0.82 0.37 0.88 0.34 -0.54 0.00 0.00 175.26 177.13 3h0j s ASP 1698N -0.05 7.20 0.00 -1.70 2.15 -1.26 -4.39 116.67 118.62 3h0j s ASP 1698Ca 0.25 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.92 3h0j s ASP 1698Cb -0.16 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3h0j s ASP 1698CO 0.12 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.65 3h0j n GLY 1699N 0.43 0.52 0.07 2.66 0.00 -1.26 -4.97 105.19 102.64 3h0j n GLY 1699Ca 0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 3h0j n GLY 1699CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h0j n LEU 1700N -0.49 1.99 0.00 0.99 4.32 -1.26 -4.21 117.00 118.34 3h0j n LEU 1700Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 3h0j n LEU 1700Cb 0.26 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3h0j n LEU 1700CO 0.00 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 3h0j n GLY 1701N 2.61 2.90 0.44 -0.72 0.00 -1.26 -1.47 105.19 107.69 3h0j n GLY 1701Ca -0.24 -0.14 0.26 0.00 0.00 0.00 0.00 46.02 45.90 3h0j n GLY 1701CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3h0j h VAL 1702N 0.00 0.50 0.00 1.61 -1.51 -1.99 0.65 116.25 115.51 3h0j h VAL 1702Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3h0j h VAL 1702Cb 0.00 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3h0j h VAL 1702CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 177.57 177.39 3h0j h GLU 1703N 0.00 0.00 0.00 5.19 9.09 -1.99 -1.17 114.58 125.70 3h0j h GLU 1703Ca 0.35 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.51 3h0j h GLU 1703Cb 1.53 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.59 3h0j h GLU 1703CO -0.00 0.00 -1.55 0.00 0.05 0.00 0.00 179.01 177.51 3h0j h LEU 1705N 0.00 0.80 -1.33 0.00 3.38 -1.17 -2.24 115.31 114.75 3h0j h LEU 1705Ca -0.23 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.14 3h0j h LEU 1705Cb 1.88 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 3h0j h LEU 1705CO 0.07 1.26 0.33 -0.09 0.09 0.00 0.00 178.44 180.11 3h0j h ARG 1706N 0.38 0.79 0.00 1.13 2.43 -1.51 0.64 114.38 118.24 3h0j h ARG 1706Ca -0.02 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 3h0j h ARG 1706Cb 1.20 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3h0j h ARG 1706CO 0.12 0.57 -0.36 0.78 -1.51 0.00 0.00 179.97 179.56 3h0j h GLY 1707N 0.85 0.00 0.57 2.80 0.00 -1.57 -1.05 103.07 104.67 3h0j h GLY 1707Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3h0j h GLY 1707CO -0.04 0.00 -0.18 1.76 0.00 0.00 0.00 176.54 178.08 3h0j h SER 1708N 0.00 -0.43 -0.34 0.19 0.02 -0.31 -2.60 113.55 110.07 3h0j h SER 1708Ca -0.00 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3h0j h SER 1708Cb 0.67 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3h0j h SER 1708CO 0.05 -0.02 0.23 1.23 -1.14 0.00 0.00 176.83 177.18 3h0j h GLY 1709N -0.95 0.33 0.99 -3.77 0.00 -1.13 0.10 103.07 98.65 3h0j h GLY 1709Ca -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3h0j h GLY 1709CO 0.09 0.09 0.33 -2.00 0.00 0.00 0.00 176.54 175.05 3h0j h LEU 1710N 0.28 0.67 0.00 3.11 5.85 -1.09 -0.69 115.31 123.44 3h0j h LEU 1710Ca 0.15 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3h0j h LEU 1710Cb 0.23 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3h0j h LEU 1710CO -0.03 0.54 -0.41 0.16 -0.34 0.00 0.00 178.44 178.36 3h0j h ILE 1711N 0.75 0.23 0.19 4.05 3.07 -0.93 -2.36 117.51 122.50 3h0j h ILE 1711Ca 0.20 -1.34 -0.01 0.00 1.55 0.00 0.00 64.86 65.26 3h0j h ILE 1711Cb -0.00 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 3h0j h ILE 1711CO -0.04 0.13 -0.09 0.00 -1.05 0.00 0.00 178.15 177.10 3h0j h ALA 1712N 1.85 -0.25 -0.35 0.16 0.00 -0.39 -0.21 119.26 120.06 3h0j h ALA 1712Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3h0j h ALA 1712Cb 1.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3h0j h ALA 1712CO 0.02 -0.52 -0.15 0.78 0.00 0.00 0.00 179.25 179.37 3h0j h GLY 1713N -0.50 0.68 1.20 0.00 0.00 -1.21 -1.37 103.07 101.88 3h0j h GLY 1713Ca -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3h0j h GLY 1713CO 0.04 0.48 0.38 0.00 0.00 0.00 0.00 176.54 177.44 3h0j h ALA 1714N 1.26 1.28 -0.07 3.60 0.00 -1.23 -1.44 119.26 122.66 3h0j h ALA 1714Ca 0.10 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 3h0j h ALA 1714Cb 0.59 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h0j h ALA 1714CO 0.04 0.57 -0.88 1.15 0.00 0.00 0.00 179.25 180.13 3h0j h THR 1715N 1.04 1.32 -0.28 0.00 2.02 -0.69 -1.28 112.91 115.04 3h0j h THR 1715Ca 0.26 -2.18 0.06 0.00 0.77 0.00 0.00 66.41 65.33 3h0j h THR 1715Cb 0.07 2.21 -0.07 0.00 -1.74 0.00 0.00 68.15 68.61 3h0j h THR 1715CO -0.04 0.67 -0.15 -1.28 0.37 0.00 0.00 175.52 175.09 3h0j h SER 1716N 0.39 -0.50 -0.11 4.18 0.87 -0.86 -0.89 113.55 116.63 3h0j h SER 1716Ca -0.08 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3h0j h SER 1716Cb 1.51 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 3h0j h SER 1716CO 0.17 -0.19 0.05 0.03 -0.53 0.00 0.00 176.83 176.37 3h0j h ARG 1717N -0.12 0.16 -0.67 2.24 3.08 -1.24 -2.98 114.38 114.85 3h0j h ARG 1717Ca 0.15 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.31 3h0j h ARG 1717Cb 0.34 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.26 3h0j h ARG 1717CO -0.35 0.22 0.13 0.00 -1.07 0.00 0.00 179.97 178.90 3h0j h ALA 1718N 0.93 0.81 -1.02 0.04 0.00 -0.75 -0.98 119.26 118.29 3h0j h ALA 1718Ca 0.04 0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.37 3h0j h ALA 1718Cb 0.12 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3h0j h ALA 1718CO -0.01 -0.34 0.68 -0.92 0.00 0.00 0.00 179.25 178.67 3h0j h TYR 1719N 0.24 0.51 -0.09 0.00 5.03 -1.01 0.69 116.97 122.33 3h0j h TYR 1719Ca 0.37 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.69 3h0j h TYR 1719Cb 0.59 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.72 3h0j h TYR 1719CO -0.28 0.07 0.00 0.72 -1.32 0.00 0.00 178.16 177.35 3h0j n HIS 1720N -4.52 0.10 -0.00 -3.82 8.25 -0.40 -4.16 115.22 110.67 3h0j n HIS 1720Ca 0.24 -0.05 -0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3h0j n HIS 1720Cb 0.89 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.00 3h0j n HIS 1720CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3h0j n ASP 1721N 0.27 3.63 -4.13 0.41 -0.08 0.21 -4.73 116.55 112.13 3h0j n ASP 1721Ca 0.18 -0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.36 3h0j n ASP 1721Cb 0.35 -0.01 -0.10 0.00 2.34 0.00 0.00 41.12 43.70 3h0j n ASP 1721CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3h0j s ILE 1722N -2.01 0.12 0.01 5.18 -4.36 0.47 -4.74 121.20 115.88 3h0j s ILE 1722Ca -0.01 -1.88 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 3h0j s ILE 1722Cb 0.00 -1.94 -0.07 0.00 1.25 0.00 0.00 42.46 41.70 3h0j s ILE 1722CO 0.01 -0.56 1.66 0.12 0.24 0.00 0.00 174.94 176.41 3h0j s PHE 1723N -4.02 2.20 -0.06 1.37 5.36 -1.26 -4.39 117.98 117.17 3h0j s PHE 1723Ca 0.21 0.25 0.05 0.00 -0.96 0.00 0.00 56.93 56.48 3h0j s PHE 1723Cb 0.07 -3.94 -0.01 0.00 -0.34 0.00 0.00 43.02 38.80 3h0j s PHE 1723CO -0.00 -3.88 -0.23 0.95 -1.46 0.00 0.00 175.22 170.59 3h0j s THR 1724N 3.29 1.90 -0.01 0.12 -4.23 -1.26 -1.48 115.64 113.98 3h0j s THR 1724Ca 0.74 -0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 60.21 3h0j s THR 1724Cb -0.37 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3h0j s THR 1724CO 0.31 0.53 0.14 -0.51 -0.54 0.00 0.00 174.62 174.55 3h0j s ILE 1725N 0.02 0.07 -0.03 2.99 2.07 -1.15 -4.19 121.20 120.99 3h0j s ILE 1725Ca -0.07 -0.58 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 3h0j s ILE 1725Cb -0.14 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.06 3h0j s ILE 1725CO 0.05 -0.32 -0.07 -0.89 -1.91 0.00 0.00 174.94 171.79 3h0j s THR 1726N -1.14 0.68 -0.33 4.00 2.01 -0.62 -1.55 115.64 118.70 3h0j s THR 1726Ca -0.12 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 3h0j s THR 1726Cb -0.07 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.84 3h0j s THR 1726CO 0.01 0.22 0.11 -0.22 -0.69 0.00 0.00 174.62 174.06 3h0j s LEU 1727N 0.32 4.18 -0.89 4.42 2.96 0.11 -1.00 118.68 128.78 3h0j s LEU 1727Ca -0.05 -0.94 -0.24 0.00 -0.22 0.00 0.00 54.13 52.69 3h0j s LEU 1727Cb -0.09 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.75 3h0j s LEU 1727CO 0.00 -0.28 1.34 -0.69 -1.32 0.00 0.00 176.35 175.41 3h0j s VAL 1728N 1.47 3.92 -0.42 1.68 1.01 -0.74 -1.20 120.40 126.12 3h0j s VAL 1728Ca 0.01 -0.36 0.23 0.00 0.00 0.00 0.00 61.98 61.86 3h0j s VAL 1728Cb -0.18 -4.97 0.07 0.00 0.00 0.00 0.00 36.38 31.29 3h0j s VAL 1728CO 0.03 -1.86 1.23 0.00 0.00 0.00 0.00 175.10 174.50 3h0j h THR 1729N 6.42 0.00 -3.24 3.92 1.03 -1.72 -2.81 112.91 116.51 3h0j h THR 1729Ca -0.00 -0.81 -0.01 0.00 -0.01 0.00 0.00 66.41 65.58 3h0j h THR 1729Cb 1.03 1.41 -0.10 0.00 -1.07 0.00 0.00 68.15 69.42 3h0j h THR 1729CO 1.34 0.00 0.07 0.00 -0.01 0.00 0.00 175.52 176.93 3h0j n ARG 1731N -0.36 0.21 -3.94 0.00 1.85 -1.26 -4.27 116.66 108.89 3h0j n ARG 1731Ca -0.10 0.07 -0.28 0.00 -1.00 0.00 0.00 57.85 56.54 3h0j n ARG 1731Cb 0.62 -1.13 -0.17 0.00 -1.05 0.00 0.00 32.46 30.73 3h0j n ARG 1731CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3h0j s SER 1732N -0.92 2.65 0.20 2.89 0.15 -0.42 -1.11 113.70 117.13 3h0j s SER 1732Ca 0.63 -0.53 0.09 0.00 0.70 0.00 0.00 55.95 56.85 3h0j s SER 1732Cb -0.90 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 3h0j s SER 1732CO 0.57 -0.13 -0.10 -0.69 1.20 0.00 0.00 173.24 174.09 3h0j s VAL 1733N 1.60 3.12 0.00 4.45 1.01 -1.26 -1.63 120.40 127.69 3h0j s VAL 1733Ca 0.03 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.25 3h0j s VAL 1733Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3h0j s VAL 1733CO -0.09 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3h0j n GLY 1734N -0.09 2.57 0.34 4.51 0.00 -0.96 0.16 105.19 111.72 3h0j n GLY 1734Ca -0.10 0.33 0.17 0.00 0.00 0.00 0.00 46.02 46.43 3h0j n GLY 1734CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h0j h ILE 1735N 0.00 0.49 0.00 -0.61 6.09 -1.92 0.53 117.51 122.09 3h0j h ILE 1735Ca 0.00 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.43 3h0j h ILE 1735Cb 0.00 0.81 -0.01 0.00 0.47 0.00 0.00 36.82 38.09 3h0j h ILE 1735CO 0.00 0.00 -0.27 1.23 -3.07 0.00 0.00 178.15 176.04 3h0j h GLY 1736N 0.00 0.00 0.81 8.18 0.00 0.12 -0.82 103.07 111.37 3h0j h GLY 1736Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.22 3h0j h GLY 1736CO -0.00 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 175.58 3h0j h ALA 1737N 1.73 -0.11 0.00 3.60 0.00 0.06 -3.18 119.26 121.36 3h0j h ALA 1737Ca -0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 3h0j h ALA 1737Cb 0.62 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h0j h ALA 1737CO 0.03 0.44 -0.28 1.88 0.00 0.00 0.00 179.25 181.33 3h0j h TYR 1738N -0.25 0.00 -0.22 0.00 -1.99 -1.31 -2.55 116.97 110.65 3h0j h TYR 1738Ca -0.17 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.44 3h0j h TYR 1738Cb 1.75 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.47 3h0j h TYR 1738CO 0.18 0.28 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.16 3h0j h LEU 1739N 0.00 0.52 -0.86 3.88 3.38 -1.21 0.23 115.31 121.25 3h0j h LEU 1739Ca -0.00 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3h0j h LEU 1739Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3h0j h LEU 1739CO 0.04 0.86 -0.40 1.62 0.09 0.00 0.00 178.44 180.64 3h0j h VAL 1740N 0.41 1.31 0.01 1.22 3.04 -1.44 -2.73 116.25 118.07 3h0j h VAL 1740Ca 0.04 -1.53 -0.04 0.00 -1.01 0.00 0.00 66.70 64.16 3h0j h VAL 1740Cb 0.86 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 3h0j h VAL 1740CO 0.07 0.47 -0.17 -0.09 -1.01 0.00 0.00 177.57 176.84 3h0j h ARG 1741N 0.29 0.09 -0.88 4.17 1.12 -1.30 -3.24 114.38 114.64 3h0j h ARG 1741Ca 0.03 -0.12 0.22 0.00 -1.11 0.00 0.00 59.98 59.00 3h0j h ARG 1741Cb 0.84 0.04 -0.06 0.00 -0.01 0.00 0.00 29.97 30.78 3h0j h ARG 1741CO 0.07 0.93 0.60 -0.07 -3.11 0.00 0.00 179.97 178.38 3h0j h LEU 1742N -0.69 0.28 -0.13 3.80 4.07 -0.56 1.61 115.31 123.69 3h0j h LEU 1742Ca -0.02 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3h0j h LEU 1742Cb 1.00 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.71 3h0j h LEU 1742CO 0.03 0.11 -0.02 0.61 -1.08 0.00 0.00 178.44 178.09 3h0j n GLY 1743N -1.57 -0.96 5.21 0.83 0.00 -1.03 -4.50 105.19 103.16 3h0j n GLY 1743Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3h0j n GLY 1743CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h0j n GLN 1744N -0.95 0.00 -1.71 1.61 1.13 0.55 -4.51 117.38 113.50 3h0j n GLN 1744Ca 0.20 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.83 3h0j n GLN 1744Cb 0.19 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.51 3h0j n GLN 1744CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h0j s ARG 1745N 0.00 4.14 -0.07 -1.09 0.52 -1.26 -4.80 118.95 116.40 3h0j s ARG 1745Ca 0.00 2.58 -0.04 0.00 -0.52 0.00 0.00 55.73 57.75 3h0j s ARG 1745Cb 0.00 -3.93 0.03 0.00 0.52 0.00 0.00 34.95 31.58 3h0j s ARG 1745CO 0.00 -0.90 0.16 0.00 0.02 0.00 0.00 175.30 174.58 3h0j s ALA 1746N 3.75 -0.34 -0.24 2.13 0.00 -1.26 -1.59 121.76 124.21 3h0j s ALA 1746Ca 0.84 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 53.40 3h0j s ALA 1746Cb -0.43 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.29 3h0j s ALA 1746CO 0.39 -0.13 -0.04 0.42 0.00 0.00 0.00 175.76 176.40 3h0j s ILE 1747N 0.80 3.26 -0.21 0.00 1.01 -0.17 0.05 121.20 125.95 3h0j s ILE 1747Ca -0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3h0j s ILE 1747Cb -0.08 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 3h0j s ILE 1747CO -0.04 0.31 0.11 -1.58 0.00 0.00 0.00 174.94 173.74 3h0j s GLN 1748N 1.43 4.03 0.24 2.79 0.74 -0.10 -1.79 119.66 127.00 3h0j s GLN 1748Ca 0.04 -0.30 -0.28 0.00 0.05 0.00 0.00 55.36 54.87 3h0j s GLN 1748Cb -0.15 -3.38 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 3h0j s GLN 1748CO -0.03 0.18 0.89 0.08 -0.55 0.00 0.00 175.29 175.86 3h0j s VAL 1749N 0.69 4.18 0.29 1.34 1.01 -1.06 -0.71 120.40 126.14 3h0j s VAL 1749Ca 0.06 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 3h0j s VAL 1749Cb -0.13 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 3h0j s VAL 1749CO 0.01 0.44 1.56 -1.61 0.00 0.00 0.00 175.10 175.50 3h0j s GLU 1750N -1.35 4.15 0.00 2.72 2.02 0.28 -2.22 118.70 124.30 3h0j s GLU 1750Ca 0.41 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.94 3h0j s GLU 1750Cb -0.24 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 30.96 3h0j s GLU 1750CO 0.29 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.39 3h0j n GLY 1751N 2.10 3.23 3.55 -1.39 0.00 -1.26 -4.99 105.19 106.44 3h0j n GLY 1751Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3h0j n GLY 1751CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h0j s GLN 1752N -0.53 3.53 0.51 1.61 -1.52 -0.94 -4.94 119.66 117.38 3h0j s GLN 1752Ca 0.00 -0.02 -0.12 0.00 -1.95 0.00 0.00 55.36 53.27 3h0j s GLN 1752Cb 0.00 -3.88 -0.06 0.00 -0.22 0.00 0.00 33.01 28.85 3h0j s GLN 1752CO 0.00 -0.94 0.92 -1.25 -0.25 0.00 0.00 175.29 173.76 3h0j s PRO 1753N 3.02 3.75 -0.30 2.91 0.04 -1.26 -4.65 135.00 138.51 3h0j s PRO 1753Ca 0.28 0.68 0.03 0.00 0.04 0.00 0.00 61.00 62.02 3h0j s PRO 1753Cb -0.13 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.28 3h0j s PRO 1753CO 0.19 -0.29 -0.00 0.42 0.04 0.00 0.00 177.00 177.36 3h0j s ILE 1754N -2.73 2.01 0.12 0.56 1.01 0.53 -1.30 121.20 121.39 3h0j s ILE 1754Ca 0.54 -1.91 0.03 0.00 0.00 0.00 0.00 60.65 59.31 3h0j s ILE 1754Cb -0.10 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3h0j s ILE 1754CO 0.39 -0.38 -0.08 0.27 0.00 0.00 0.00 174.94 175.14 3h0j s ILE 1755N 1.09 0.89 0.00 2.92 -4.36 -0.65 -4.05 121.20 117.05 3h0j s ILE 1755Ca 0.03 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3h0j s ILE 1755Cb -0.19 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.77 3h0j s ILE 1755CO -0.09 -0.82 0.00 0.18 0.24 0.00 0.00 174.94 174.45 3h0j n LEU 1756N -0.11 0.00 -4.85 0.37 4.77 -1.26 -2.26 117.00 113.66 3h0j n LEU 1756Ca -0.11 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.54 3h0j n LEU 1756Cb 0.61 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3h0j n LEU 1756CO 0.31 0.00 0.35 0.42 -1.33 0.00 0.00 177.39 177.14 3h0j s THR 1757N 0.07 4.75 0.95 -5.08 -4.23 -1.26 -3.71 115.64 107.13 3h0j s THR 1757Ca 0.00 0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 61.20 3h0j s THR 1757Cb 0.00 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.37 3h0j s THR 1757CO 0.00 -0.08 1.28 -0.83 -0.54 0.00 0.00 174.62 174.46 3h0j s GLY 1758N -2.18 1.73 -0.02 3.99 0.00 -1.26 -4.90 107.32 104.69 3h0j s GLY 1758Ca 0.50 -1.08 -0.23 0.00 0.00 0.00 0.00 44.72 43.91 3h0j s GLY 1758CO 0.19 -0.35 1.10 0.00 0.00 0.00 0.00 173.10 174.04 3h0j h ALA 1759N -1.61 -0.32 -0.38 3.20 0.00 -1.91 -2.13 119.26 116.11 3h0j h ALA 1759Ca -0.45 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.34 3h0j h ALA 1759Cb 1.26 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 3h0j h ALA 1759CO 0.43 -0.45 -0.31 -1.00 0.00 0.00 0.00 179.25 177.92 3h0j h PRO 1760N -0.78 -0.24 -0.39 0.00 0.13 -1.95 0.23 132.00 129.00 3h0j h PRO 1760Ca -0.03 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.19 3h0j h PRO 1760Cb 0.51 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.62 3h0j h PRO 1760CO 0.05 -0.16 -0.06 0.00 -0.23 0.00 0.00 178.00 177.61 3h0j h ALA 1761N 0.79 0.30 -0.40 -0.56 0.00 -1.96 -1.76 119.26 115.67 3h0j h ALA 1761Ca 0.17 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3h0j h ALA 1761Cb 0.53 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3h0j h ALA 1761CO -0.52 -0.43 0.20 0.82 0.00 0.00 0.00 179.25 179.32 3h0j h ILE 1762N 0.04 0.98 -0.03 0.00 2.04 -0.50 -2.68 117.51 117.36 3h0j h ILE 1762Ca 0.19 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3h0j h ILE 1762Cb 0.28 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3h0j h ILE 1762CO -0.37 0.07 -0.26 0.78 0.00 0.00 0.00 178.15 178.37 3h0j h ASN 1763N 0.41 -0.79 -0.60 1.72 2.35 0.14 -0.38 115.58 118.44 3h0j h ASN 1763Ca 0.17 0.11 0.12 0.00 -0.55 0.00 0.00 56.30 56.16 3h0j h ASN 1763Cb 0.08 0.33 -0.10 0.00 0.05 0.00 0.00 38.32 38.67 3h0j h ASN 1763CO -0.12 -0.33 -0.02 0.11 -1.65 0.00 0.00 177.43 175.42 3h0j h LYS 1764N -0.39 0.09 -0.43 0.81 1.57 -1.14 -0.52 116.57 116.57 3h0j h LYS 1764Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3h0j h LYS 1764Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3h0j h LYS 1764CO -0.25 0.06 0.25 0.52 -0.57 0.00 0.00 179.45 179.46 3h0j h MET 1765N 0.09 0.60 0.00 3.15 2.86 -1.09 -1.55 114.93 118.99 3h0j h MET 1765Ca 0.31 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3h0j h MET 1765Cb 0.49 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3h0j h MET 1765CO -0.53 0.46 0.00 1.28 1.06 0.00 0.00 176.91 179.18 3h0j n LEU 1766N -4.73 0.00 0.00 1.22 4.77 -0.21 -4.86 117.00 113.20 3h0j n LEU 1766Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3h0j n LEU 1766Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3h0j n LEU 1766CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3h0j n GLY 1767N 0.05 0.54 0.00 -0.72 0.00 -0.59 -4.77 105.19 99.70 3h0j n GLY 1767Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3h0j n GLY 1767CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0j n ARG 1768N 0.00 0.19 -3.07 1.61 1.74 -1.26 -4.78 116.66 111.09 3h0j n ARG 1768Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3h0j n ARG 1768Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3h0j n ARG 1768CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3h0j n GLU 1769N -0.55 1.17 -0.25 5.56 0.00 -1.26 -4.41 120.64 120.90 3h0j n GLU 1769Ca 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 57.16 53.66 3h0j n GLU 1769Cb 0.00 -1.66 0.13 0.00 0.00 0.00 0.00 31.44 29.91 3h0j n GLU 1769CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3h0j h VAL 1770N 1.50 1.24 -3.13 6.31 3.04 -1.93 -3.44 116.25 119.84 3h0j h VAL 1770Ca 0.07 -0.72 -0.62 0.00 -1.01 0.00 0.00 66.70 64.42 3h0j h VAL 1770Cb 0.98 0.31 -0.11 0.00 -2.01 0.00 0.00 31.29 30.46 3h0j h VAL 1770CO 0.52 0.30 -0.50 -0.31 -1.01 0.00 0.00 177.57 176.58 3h0j s TYR 1771N -5.56 3.44 -0.22 3.17 1.51 -1.26 -4.88 117.35 113.54 3h0j s TYR 1771Ca -0.12 0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 56.16 3h0j s TYR 1771Cb 0.16 -2.10 -0.18 0.00 -0.11 0.00 0.00 41.96 39.73 3h0j s TYR 1771CO 0.82 0.38 -0.00 0.25 -1.11 0.00 0.00 175.55 175.89 3h0j n THR 1772N 3.17 1.57 -4.30 -0.71 -2.24 -1.26 -4.83 114.28 105.67 3h0j n THR 1772Ca -0.17 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.01 3h0j n THR 1772Cb 0.53 -1.86 -0.11 0.00 -2.10 0.00 0.00 70.33 66.79 3h0j n THR 1772CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h0j s SER 1773N -7.05 4.01 0.22 3.42 0.15 -1.26 -5.00 113.70 108.18 3h0j s SER 1773Ca -0.32 -0.57 0.23 0.00 0.70 0.00 0.00 55.95 55.99 3h0j s SER 1773Cb 0.09 -0.60 0.92 0.00 -1.71 0.00 0.00 66.02 64.72 3h0j s SER 1773CO 0.59 0.15 1.71 0.59 1.20 0.00 0.00 173.24 177.48 3h0j n ASN 1774N 0.51 0.61 0.16 5.45 5.03 -1.26 -2.65 115.26 123.12 3h0j n ASN 1774Ca -0.14 0.63 0.02 0.00 0.87 0.00 0.00 54.58 55.96 3h0j n ASN 1774Cb 0.54 -0.77 0.26 0.00 -1.02 0.00 0.00 39.78 38.79 3h0j n ASN 1774CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3h0j h LEU 1775N 0.00 0.00 -2.39 3.41 4.07 -1.93 -2.23 115.31 116.24 3h0j h LEU 1775Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3h0j h LEU 1775Cb 0.44 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 3h0j h LEU 1775CO 0.00 0.50 -0.03 1.56 -1.08 0.00 0.00 178.44 179.39 3h0j h GLN 1776N 0.00 0.00 0.04 1.13 4.20 -1.89 0.39 115.11 118.99 3h0j h GLN 1776Ca -0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 3h0j h GLN 1776Cb 0.95 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 3h0j h GLN 1776CO 0.06 0.03 -2.21 1.28 -0.67 0.00 0.00 178.83 177.32 3h0j n LEU 1777N -3.31 2.63 -1.96 1.46 4.77 -1.03 -4.79 117.00 114.77 3h0j n LEU 1777Ca -0.02 0.09 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 3h0j n LEU 1777Cb 0.16 -0.98 0.03 0.00 -2.33 0.00 0.00 43.42 40.30 3h0j n LEU 1777CO 0.25 0.80 0.09 0.61 -1.33 0.00 0.00 177.39 177.81 3h0j n GLY 1778N 1.96 1.27 3.92 -0.72 0.00 -0.87 -4.86 105.19 105.89 3h0j n GLY 1778Ca -0.41 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 3h0j n GLY 1778CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0j s GLY 1779N -2.48 1.62 0.43 -0.02 0.00 0.14 -0.35 107.32 106.66 3h0j s GLY 1779Ca 0.28 -0.72 0.23 0.00 0.00 0.00 0.00 44.72 44.51 3h0j s GLY 1779CO -0.11 -0.42 1.74 -0.91 0.00 0.00 0.00 173.10 173.40 3h0j h THR 1780N -0.27 0.42 0.00 0.90 1.35 -1.85 0.55 112.91 114.00 3h0j h THR 1780Ca -0.45 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3h0j h THR 1780Cb 1.27 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3h0j h THR 1780CO 0.61 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.93 3h0j n GLN 1781N -4.58 0.11 -0.07 4.72 0.00 -1.26 -0.08 117.38 116.21 3h0j n GLN 1781Ca 0.28 0.55 -0.13 0.00 0.00 0.00 0.00 57.00 57.70 3h0j n GLN 1781Cb 1.05 -1.82 -0.04 0.00 0.00 0.00 0.00 30.24 29.43 3h0j n GLN 1781CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3h0j n ILE 1782N -2.05 1.33 0.27 -0.39 2.08 0.19 -4.39 119.36 116.39 3h0j n ILE 1782Ca -0.00 0.02 0.16 0.00 0.56 0.00 0.00 62.75 63.48 3h0j n ILE 1782Cb 0.07 -2.02 0.54 0.00 -0.75 0.00 0.00 39.64 37.49 3h0j n ILE 1782CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3h0j h MET 1783N -0.75 0.00 0.00 0.38 2.86 -1.28 -0.60 114.93 115.53 3h0j h MET 1783Ca -0.20 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.21 3h0j h MET 1783Cb 1.03 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 3h0j h MET 1783CO -0.12 0.00 -1.88 0.98 1.06 0.00 0.00 176.91 176.94 3h0j n TYR 1784N -3.05 0.49 0.10 -0.22 9.36 0.88 0.39 117.16 125.12 3h0j n TYR 1784Ca 0.02 0.17 -0.01 0.00 3.32 0.00 0.00 57.90 61.40 3h0j n TYR 1784Cb 0.36 -0.98 -0.03 0.00 -0.63 0.00 0.00 39.34 38.06 3h0j n TYR 1784CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3h0j h ASN 1785N 0.00 0.00 0.45 2.98 4.21 -1.60 -3.23 115.58 118.39 3h0j h ASN 1785Ca -0.29 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.20 3h0j h ASN 1785Cb 1.79 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.99 3h0j h ASN 1785CO 0.04 0.65 -0.22 -1.13 -1.29 0.00 0.00 177.43 175.48 3h0j h ASN 1786N 0.00 -0.52 0.00 5.81 -0.73 -1.17 -3.38 115.58 115.59 3h0j h ASN 1786Ca -0.03 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.14 3h0j h ASN 1786Cb 1.52 0.13 0.00 0.00 0.27 0.00 0.00 38.32 40.25 3h0j h ASN 1786CO 0.08 -0.36 0.00 0.61 -0.37 0.00 0.00 177.43 177.39 3h0j n GLY 1787N -1.30 1.40 0.29 1.57 0.00 -1.11 -4.92 105.19 101.11 3h0j n GLY 1787Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 3h0j n GLY 1787CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h0j h VAL 1788N 0.00 1.27 -3.80 1.61 2.07 -1.63 -3.40 116.25 112.37 3h0j h VAL 1788Ca 0.00 -1.28 -0.64 0.00 0.82 0.00 0.00 66.70 65.60 3h0j h VAL 1788Cb 0.00 1.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.58 3h0j h VAL 1788CO 0.00 0.45 -0.55 -0.44 0.02 0.00 0.00 177.57 177.05 3h0j s SER 1789N -6.64 5.78 0.21 0.57 0.01 0.16 -4.47 113.70 109.32 3h0j s SER 1789Ca -0.12 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.16 3h0j s SER 1789Cb 0.13 -2.06 0.15 0.00 0.21 0.00 0.00 66.02 64.45 3h0j s SER 1789CO 0.86 -0.03 1.49 0.45 0.41 0.00 0.00 173.24 176.42 3h0j h HIS 1790N 8.24 0.15 -4.14 2.43 3.86 -0.60 -3.41 115.15 121.68 3h0j h HIS 1790Ca -0.36 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 58.64 3h0j h HIS 1790Cb 1.18 -0.02 -0.14 0.00 1.06 0.00 0.00 27.41 29.50 3h0j h HIS 1790CO 0.73 0.81 -0.48 -0.51 0.86 0.00 0.00 177.93 179.33 3h0j s LEU 1791N -7.50 1.40 0.29 2.43 1.43 -1.10 -0.70 118.68 114.93 3h0j s LEU 1791Ca -0.02 -1.02 0.11 0.00 -1.03 0.00 0.00 54.13 52.17 3h0j s LEU 1791Cb 0.11 0.74 -0.05 0.00 0.03 0.00 0.00 46.19 47.03 3h0j s LEU 1791CO 0.80 -0.80 -0.16 -0.89 0.23 0.00 0.00 176.35 175.53 3h0j s THR 1792N -4.00 2.58 -0.17 5.49 2.01 -1.26 -0.93 115.64 119.37 3h0j s THR 1792Ca 0.19 -2.31 -0.15 0.00 0.31 0.00 0.00 61.69 59.73 3h0j s THR 1792Cb 0.05 -2.42 0.05 0.00 0.01 0.00 0.00 72.50 70.19 3h0j s THR 1792CO 0.00 -0.37 0.45 0.00 -0.69 0.00 0.00 174.62 174.01 3h0j s ALA 1793N -2.50 -1.11 0.24 7.40 0.00 0.12 -4.83 121.76 121.08 3h0j s ALA 1793Ca 0.31 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.54 3h0j s ALA 1793Cb -0.04 -0.76 0.26 0.00 0.00 0.00 0.00 23.12 22.58 3h0j s ALA 1793CO 0.16 -0.22 1.68 -0.39 0.00 0.00 0.00 175.76 176.99 3h0j h VAL 1794N 4.55 1.26 -2.92 0.00 -1.51 -1.95 0.82 116.25 116.50 3h0j h VAL 1794Ca -0.28 -1.22 -0.02 0.00 -1.23 0.00 0.00 66.70 63.96 3h0j h VAL 1794Cb 1.18 1.12 -0.12 0.00 -2.13 0.00 0.00 31.29 31.33 3h0j h VAL 1794CO 0.23 0.41 0.22 1.51 -1.23 0.00 0.00 177.57 178.71 3h0j s ASP 1795N -6.72 -0.57 0.48 4.19 -4.77 -1.26 -4.59 116.67 103.43 3h0j s ASP 1795Ca -0.09 0.04 0.40 0.00 -3.30 0.00 0.00 52.55 49.59 3h0j s ASP 1795Cb 0.14 0.59 1.54 0.00 -1.09 0.00 0.00 42.92 44.10 3h0j s ASP 1795CO 0.82 -0.94 1.49 0.47 0.70 0.00 0.00 175.17 177.71 3h0j n ASP 1796N -0.31 0.10 0.00 2.11 8.00 -1.26 0.65 116.55 125.85 3h0j n ASP 1796Ca -0.17 1.14 -0.18 0.00 0.71 0.00 0.00 54.79 56.29 3h0j n ASP 1796Cb 0.64 -0.56 -0.09 0.00 -0.02 0.00 0.00 41.12 41.09 3h0j n ASP 1796CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3h0j h LEU 1797N 0.00 0.81 -0.19 0.64 5.85 -1.96 -2.07 115.31 118.39 3h0j h LEU 1797Ca 0.87 -0.69 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3h0j h LEU 1797Cb 3.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 43.93 3h0j h LEU 1797CO -0.23 1.38 0.06 0.00 -0.34 0.00 0.00 178.44 179.31 3h0j h ALA 1798N 0.45 0.21 -0.64 1.25 0.00 -0.19 0.14 119.26 120.48 3h0j h ALA 1798Ca -0.08 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3h0j h ALA 1798Cb 1.43 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 3h0j h ALA 1798CO 0.16 -0.36 0.32 0.78 0.00 0.00 0.00 179.25 180.14 3h0j h GLY 1799N 0.15 0.92 1.69 0.00 0.00 -1.39 0.17 103.07 104.61 3h0j h GLY 1799Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3h0j h GLY 1799CO -0.09 0.10 -0.16 -2.08 0.00 0.00 0.00 176.54 174.31 3h0j h VAL 1800N 0.59 1.22 -0.28 4.60 2.07 -0.79 -0.94 116.25 122.71 3h0j h VAL 1800Ca 0.30 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3h0j h VAL 1800Cb 0.25 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3h0j h VAL 1800CO -0.22 0.32 -0.03 -0.33 0.02 0.00 0.00 177.57 177.33 3h0j h GLU 1801N 0.35 0.51 -0.05 1.57 5.08 0.81 -0.42 114.58 122.42 3h0j h GLU 1801Ca 0.06 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3h0j h GLU 1801Cb 0.49 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3h0j h GLU 1801CO 0.03 0.70 -0.14 0.87 -1.00 0.00 0.00 179.01 179.46 3h0j h LYS 1802N 0.28 -0.21 -0.50 2.33 1.79 -0.29 0.35 116.57 120.33 3h0j h LYS 1802Ca 0.07 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.63 3h0j h LYS 1802Cb 0.49 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.12 3h0j h LYS 1802CO 0.02 -0.14 0.15 0.82 -1.08 0.00 0.00 179.45 179.23 3h0j h ILE 1803N -0.21 0.78 -0.32 1.86 2.04 -1.03 0.19 117.51 120.83 3h0j h ILE 1803Ca 0.07 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 3h0j h ILE 1803Cb 0.30 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3h0j h ILE 1803CO -0.18 0.06 -0.09 0.58 0.00 0.00 0.00 178.15 178.52 3h0j h VAL 1804N 0.31 1.23 -0.01 1.67 2.07 -0.68 -1.90 116.25 118.94 3h0j h VAL 1804Ca 0.25 -0.98 -0.24 0.00 0.82 0.00 0.00 66.70 66.55 3h0j h VAL 1804Cb 0.29 1.08 0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3h0j h VAL 1804CO -0.28 0.33 -0.92 -0.08 0.02 0.00 0.00 177.57 176.64 3h0j h GLU 1805N 0.50 0.64 -0.54 1.57 4.81 -0.15 -3.05 114.58 118.36 3h0j h GLU 1805Ca 0.10 -0.67 0.05 0.00 -0.13 0.00 0.00 59.36 58.70 3h0j h GLU 1805Cb 0.46 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 3h0j h GLU 1805CO 0.03 1.27 0.26 2.35 -0.73 0.00 0.00 179.01 182.19 3h0j h TRP 1806N 0.28 0.48 0.00 0.92 2.91 -0.55 -1.68 115.95 118.31 3h0j h TRP 1806Ca -0.11 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.93 3h0j h TRP 1806Cb 1.58 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 30.09 3h0j h TRP 1806CO 0.11 0.22 -0.01 0.52 -1.03 0.00 0.00 178.44 178.25 3h0j h MET 1807N 0.51 0.00 0.00 2.65 2.86 -1.34 -2.75 114.93 116.85 3h0j h MET 1807Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3h0j h MET 1807Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3h0j h MET 1807CO -0.18 0.01 0.00 -1.13 1.06 0.00 0.00 176.91 176.68 3h0j n SER 1808N -3.19 0.45 -0.24 1.22 3.41 -0.63 -1.04 113.62 113.58 3h0j n SER 1808Ca -0.02 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 3h0j n SER 1808Cb 0.15 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.30 3h0j n SER 1808CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3h0j n TYR 1809N -2.05 0.00 -3.70 7.33 4.02 -1.04 -4.84 117.16 116.88 3h0j n TYR 1809Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 3h0j n TYR 1809Cb 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.37 3h0j n TYR 1809CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h0j s VAL 1810N -2.75 5.28 0.50 -0.72 1.01 -0.21 -4.51 120.40 119.00 3h0j s VAL 1810Ca 0.13 0.50 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 3h0j s VAL 1810Cb 0.17 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 3h0j s VAL 1810CO 0.73 0.60 1.29 -2.16 0.00 0.00 0.00 175.10 175.55 3h0j s PRO 1811N -1.06 3.45 0.32 2.72 0.04 -1.26 -4.61 135.00 134.60 3h0j s PRO 1811Ca 0.19 2.07 0.10 0.00 0.04 0.00 0.00 61.00 63.40 3h0j s PRO 1811Cb -0.14 -2.37 0.97 0.00 0.04 0.00 0.00 34.50 33.00 3h0j s PRO 1811CO 0.09 -0.89 1.51 0.00 0.04 0.00 0.00 177.00 177.74 3h0j n ALA 1812N -0.71 0.70 -3.60 8.56 0.00 -1.26 -4.67 120.51 119.53 3h0j n ALA 1812Ca 0.08 1.01 -0.10 0.00 0.00 0.00 0.00 53.44 54.43 3h0j n ALA 1812Cb 0.46 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 3h0j n ALA 1812CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3h0j s LYS 1813N -5.74 1.47 -0.06 0.00 -2.85 -1.26 -4.57 119.74 106.73 3h0j s LYS 1813Ca -0.11 -0.68 -0.41 0.00 -1.00 0.00 0.00 55.97 53.78 3h0j s LYS 1813Cb 0.30 0.59 -0.20 0.00 -2.06 0.00 0.00 37.83 36.46 3h0j s LYS 1813CO 0.75 -0.66 1.13 -2.13 0.10 0.00 0.00 175.35 174.54 3h0j n ARG 1814N -0.41 0.00 -0.85 1.78 0.63 0.29 -1.28 116.66 116.82 3h0j n ARG 1814Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3h0j n ARG 1814Cb 0.62 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3h0j n ARG 1814CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3h0j n ASN 1815N 1.79 -1.00 -4.88 6.15 5.03 -1.26 -4.99 115.26 116.11 3h0j n ASN 1815Ca 0.21 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.36 3h0j n ASN 1815Cb 0.06 -1.16 0.00 0.00 -1.02 0.00 0.00 39.78 37.66 3h0j n ASN 1815CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3h0j s MET 1816N -0.49 3.63 0.57 3.52 -1.94 -0.41 -5.00 119.30 119.18 3h0j s MET 1816Ca 0.00 0.61 -0.20 0.00 -1.71 0.00 0.00 55.69 54.38 3h0j s MET 1816Cb 0.00 -2.18 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 3h0j s MET 1816CO 0.00 -0.42 1.24 -2.30 -0.01 0.00 0.00 175.02 173.54 3h0j n PRO 1817N -2.44 1.38 -1.94 2.03 -0.02 -1.26 -4.80 135.00 127.94 3h0j n PRO 1817Ca 0.04 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3h0j n PRO 1817Cb 0.54 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 3h0j n PRO 1817CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3h0j s VAL 1818N -1.35 2.36 -0.48 -1.45 -7.23 -1.26 -4.57 120.40 106.41 3h0j s VAL 1818Ca 0.75 0.36 -0.27 0.00 -1.81 0.00 0.00 61.98 61.01 3h0j s VAL 1818Cb -0.42 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 3h0j s VAL 1818CO 0.47 0.08 2.07 -2.16 -0.31 0.00 0.00 175.10 175.25 3h0j s PRO 1819N -1.85 2.62 0.06 4.82 0.04 -1.26 -4.92 135.00 134.51 3h0j s PRO 1819Ca 0.52 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3h0j s PRO 1819Cb -0.43 -4.42 -0.05 0.00 0.04 0.00 0.00 34.50 29.63 3h0j s PRO 1819CO 0.58 -2.71 1.15 0.42 0.04 0.00 0.00 177.00 176.48 3h0j s ILE 1820N 9.69 4.16 -0.34 0.56 -1.09 -1.26 -4.34 121.20 128.58 3h0j s ILE 1820Ca 0.83 1.58 0.00 0.00 -2.23 0.00 0.00 60.65 60.83 3h0j s ILE 1820Cb -0.18 -4.01 0.14 0.00 -1.58 0.00 0.00 42.46 36.83 3h0j s ILE 1820CO 0.26 0.14 0.25 -0.22 -1.23 0.00 0.00 174.94 174.14 3h0j s LEU 1821N 0.88 0.51 0.33 2.97 2.96 0.86 -4.91 118.68 122.28 3h0j s LEU 1821Ca 0.56 -1.73 -0.27 0.00 -0.22 0.00 0.00 54.13 52.48 3h0j s LEU 1821Cb -0.28 -0.05 -0.09 0.00 0.50 0.00 0.00 46.19 46.27 3h0j s LEU 1821CO 0.30 -0.33 1.11 -1.61 -1.32 0.00 0.00 176.35 174.50 3h0j s GLU 1822N 1.48 4.40 0.32 1.98 2.02 -1.26 -4.36 118.70 123.27 3h0j s GLU 1822Ca 0.15 1.76 0.05 0.00 0.02 0.00 0.00 54.97 56.96 3h0j s GLU 1822Cb -0.19 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 3h0j s GLU 1822CO -0.10 0.01 0.18 0.25 0.02 0.00 0.00 175.26 175.62 3h0j n THR 1823N 0.65 0.00 -0.33 3.63 -2.24 -1.26 -5.01 114.28 109.73 3h0j n THR 1823Ca 0.01 -2.06 0.16 0.00 -2.27 0.00 0.00 64.05 59.89 3h0j n THR 1823Cb 0.46 0.89 0.30 0.00 -2.10 0.00 0.00 70.33 69.88 3h0j n THR 1823CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3h0j n LYS 1824N -0.66 -0.07 -2.42 -0.78 4.01 -1.26 -3.74 118.16 113.24 3h0j n LYS 1824Ca 0.01 1.41 -0.38 0.00 -0.51 0.00 0.00 58.31 58.84 3h0j n LYS 1824Cb 0.52 -2.26 -0.03 0.00 -0.51 0.00 0.00 35.03 32.74 3h0j n LYS 1824CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3h0j s ASP 1825N -4.96 6.08 0.96 4.39 3.68 -1.26 -4.99 116.67 120.57 3h0j s ASP 1825Ca -0.12 -1.01 -0.15 0.00 2.13 0.00 0.00 52.55 53.41 3h0j s ASP 1825Cb 0.28 -2.56 0.21 0.00 -1.45 0.00 0.00 42.92 39.40 3h0j s ASP 1825CO 0.74 -1.88 1.31 0.42 0.13 0.00 0.00 175.17 175.89 3h0j s THR 1826N 6.43 2.00 0.11 1.71 -4.23 -1.25 -4.62 115.64 115.80 3h0j s THR 1826Ca 0.51 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.93 3h0j s THR 1826Cb -0.04 -2.92 -0.24 0.00 1.34 0.00 0.00 72.50 70.64 3h0j s THR 1826CO -0.02 0.00 1.23 4.11 -0.54 0.00 0.00 174.62 179.40 3h0j h TRP 1827N -1.61 0.35 -0.41 3.99 5.08 -1.94 -3.41 115.95 118.00 3h0j h TRP 1827Ca -0.43 -0.24 -0.60 0.00 1.08 0.00 0.00 58.89 58.70 3h0j h TRP 1827Cb 1.22 -0.02 -0.04 0.00 -3.00 0.00 0.00 29.16 27.32 3h0j h TRP 1827CO -1.29 1.15 2.19 -3.47 -1.28 0.00 0.00 178.44 175.74 3h0j n ASP 1828N -3.53 3.83 -3.46 0.11 4.64 -1.26 -4.29 116.55 112.58 3h0j n ASP 1828Ca -0.05 -2.81 -0.13 0.00 -1.38 0.00 0.00 54.79 50.42 3h0j n ASP 1828Cb 0.95 -1.61 -0.03 0.00 -1.04 0.00 0.00 41.12 39.39 3h0j n ASP 1828CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3h0j s ARG 1829N 4.63 1.22 0.55 -0.67 1.70 -1.26 -5.14 118.95 119.97 3h0j s ARG 1829Ca 0.56 -0.40 -0.04 0.00 -0.47 0.00 0.00 55.73 55.38 3h0j s ARG 1829Cb 0.07 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 35.02 3h0j s ARG 1829CO 0.06 -0.51 0.83 -1.25 -1.08 0.00 0.00 175.30 173.35 3h0j s PRO 1830N -3.38 2.99 -0.14 3.89 0.04 -1.26 -4.45 135.00 132.68 3h0j s PRO 1830Ca -0.01 -0.13 -0.19 0.00 0.04 0.00 0.00 61.00 60.72 3h0j s PRO 1830Cb -0.01 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3h0j s PRO 1830CO -0.10 -0.56 0.52 0.08 0.04 0.00 0.00 177.00 176.98 3h0j s VAL 1831N -2.86 5.14 0.00 -0.36 1.01 0.05 -4.94 120.40 118.44 3h0j s VAL 1831Ca 0.52 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3h0j s VAL 1831Cb -0.10 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3h0j s VAL 1831CO 0.43 0.27 0.04 0.47 0.00 0.00 0.00 175.10 176.31 3h0j n ASP 1832N 4.06 0.00 -4.67 3.32 10.43 -0.40 -4.67 116.55 124.62 3h0j n ASP 1832Ca -0.06 0.34 -0.49 0.00 2.57 0.00 0.00 54.79 57.16 3h0j n ASP 1832Cb 0.51 -0.32 -0.05 0.00 1.84 0.00 0.00 41.12 43.10 3h0j n ASP 1832CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3h0j n PHE 1833N -1.46 2.18 -4.19 1.24 7.35 -1.07 -4.96 117.46 116.55 3h0j n PHE 1833Ca 0.00 0.23 -0.21 0.00 -0.76 0.00 0.00 57.45 56.71 3h0j n PHE 1833Cb 0.00 -2.56 -0.16 0.00 0.35 0.00 0.00 39.48 37.11 3h0j n PHE 1833CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3h0j s THR 1834N 2.40 0.64 0.72 -2.13 2.01 -1.26 -4.85 115.64 113.17 3h0j s THR 1834Ca 0.87 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.59 3h0j s THR 1834Cb -0.76 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.11 3h0j s THR 1834CO 0.47 0.26 1.08 -2.16 -0.69 0.00 0.00 174.62 173.58 3h0j s PRO 1835N 1.00 2.74 0.03 4.92 0.04 -1.26 -5.08 135.00 137.39 3h0j s PRO 1835Ca -0.10 0.67 0.04 0.00 0.04 0.00 0.00 61.00 61.65 3h0j s PRO 1835Cb -0.14 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3h0j s PRO 1835CO -0.00 -1.16 -0.11 0.95 0.04 0.00 0.00 177.00 176.71 3h0j s THR 1836N -3.20 0.89 0.53 1.26 -4.23 -1.26 -4.91 115.64 104.72 3h0j s THR 1836Ca 0.58 -0.83 0.28 0.00 -1.18 0.00 0.00 61.69 60.55 3h0j s THR 1836Cb -0.13 -0.81 0.44 0.00 1.34 0.00 0.00 72.50 73.34 3h0j s THR 1836CO 0.54 -0.01 1.93 0.78 -0.54 0.00 0.00 174.62 177.32 3h0j h ASN 1837N 5.14 0.02 -0.36 3.99 2.35 -1.95 -2.44 115.58 122.34 3h0j h ASN 1837Ca -0.35 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.20 3h0j h ASN 1837Cb 1.18 -0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.43 3h0j h ASN 1837CO 0.45 0.01 -0.14 -0.90 -1.65 0.00 0.00 177.43 175.20 3h0j n ASP 1838N -4.32 2.62 -3.59 5.81 3.85 -1.26 -4.94 116.55 114.72 3h0j n ASP 1838Ca 0.15 -3.81 -0.08 0.00 -0.71 0.00 0.00 54.79 50.34 3h0j n ASP 1838Cb 0.81 -0.62 -0.09 0.00 -1.35 0.00 0.00 41.12 39.87 3h0j n ASP 1838CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3h0j s GLU 1839N -3.29 0.34 0.52 0.11 2.12 -0.92 -5.15 118.70 112.43 3h0j s GLU 1839Ca 0.45 0.95 -0.21 0.00 0.36 0.00 0.00 54.97 56.51 3h0j s GLU 1839Cb 0.41 0.20 -0.07 0.00 0.26 0.00 0.00 34.13 34.92 3h0j s GLU 1839CO -0.01 -0.33 1.02 2.41 -0.54 0.00 0.00 175.26 177.81 3h0j n THR 1840N 5.39 3.09 -3.81 -1.70 -1.04 -1.26 -4.32 114.28 110.62 3h0j n THR 1840Ca -0.07 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.34 3h0j n THR 1840Cb 0.50 -1.22 -0.06 0.00 -1.82 0.00 0.00 70.33 67.73 3h0j n THR 1840CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 3h0j s TYR 1841N -1.39 0.09 -0.33 -1.42 -0.85 -1.26 -5.00 117.35 107.19 3h0j s TYR 1841Ca 0.69 -0.47 -0.11 0.00 -0.52 0.00 0.00 57.07 56.67 3h0j s TYR 1841Cb -0.47 0.08 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 3h0j s TYR 1841CO 0.52 -0.68 0.19 0.34 -1.52 0.00 0.00 175.55 174.40 3h0j s ASP 1842N -2.88 5.73 0.57 -0.18 -1.08 -1.26 -4.56 116.67 113.02 3h0j s ASP 1842Ca 0.08 -0.53 0.33 0.00 -0.52 0.00 0.00 52.55 51.91 3h0j s ASP 1842Cb 0.03 -2.05 1.41 0.00 -1.46 0.00 0.00 42.92 40.85 3h0j s ASP 1842CO -0.07 -0.22 1.72 1.62 0.52 0.00 0.00 175.17 178.73 3h0j h VAL 1843N 5.62 0.28 -0.03 1.11 3.04 -1.99 0.41 116.25 124.69 3h0j h VAL 1843Ca -0.31 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.39 3h0j h VAL 1843Cb 1.15 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3h0j h VAL 1843CO 0.63 0.00 0.05 0.03 -1.01 0.00 0.00 177.57 177.26 3h0j h ARG 1844N 0.00 0.00 -0.29 4.17 3.08 -1.94 -0.32 114.38 119.08 3h0j h ARG 1844Ca 0.45 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.34 3h0j h ARG 1844Cb 2.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.16 3h0j h ARG 1844CO -0.00 0.00 -0.47 -1.49 -1.07 0.00 0.00 179.97 176.93 3h0j h TRP 1845N 0.00 0.94 -0.23 3.04 6.55 -0.39 0.18 115.95 126.03 3h0j h TRP 1845Ca 0.01 -0.31 -0.09 0.00 0.95 0.00 0.00 58.89 59.46 3h0j h TRP 1845Cb 0.11 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.21 3h0j h TRP 1845CO 0.00 1.09 -0.23 0.52 -1.05 0.00 0.00 178.44 178.77 3h0j h MET 1846N 0.61 0.43 0.12 0.49 2.86 -1.19 0.18 114.93 118.43 3h0j h MET 1846Ca 0.03 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3h0j h MET 1846Cb 1.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3h0j h MET 1846CO 0.10 0.64 -0.06 0.82 1.06 0.00 0.00 176.91 179.47 3h0j h ILE 1847N 0.39 0.61 -0.01 -1.22 2.04 -1.15 0.34 117.51 118.50 3h0j h ILE 1847Ca 0.06 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.70 3h0j h ILE 1847Cb 0.62 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3h0j h ILE 1847CO 0.04 0.18 -0.05 -1.84 0.00 0.00 0.00 178.15 176.49 3h0j n GLU 1848N -4.86 0.90 0.00 2.37 0.28 0.59 -1.11 120.64 118.82 3h0j n GLU 1848Ca -0.06 -1.07 0.00 0.00 -0.16 0.00 0.00 57.16 55.88 3h0j n GLU 1848Cb 0.21 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 31.88 3h0j n GLU 1848CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h0j n GLY 1849N 0.71 -2.95 3.44 -1.84 0.00 0.65 -4.16 105.19 101.02 3h0j n GLY 1849Ca 0.06 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 3h0j n GLY 1849CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h0j s ARG 1850N -0.90 1.28 0.22 1.61 1.70 0.30 -4.42 118.95 118.74 3h0j s ARG 1850Ca 0.00 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.40 3h0j s ARG 1850Cb 0.00 0.57 -0.08 0.00 -0.57 0.00 0.00 34.95 34.86 3h0j s ARG 1850CO 0.00 -0.55 1.02 -1.21 -1.08 0.00 0.00 175.30 173.47 3h0j s GLU 1851N -3.78 4.72 0.09 3.89 0.41 -1.26 -0.52 118.70 122.25 3h0j s GLU 1851Ca 0.02 1.61 0.02 0.00 -0.41 0.00 0.00 54.97 56.22 3h0j s GLU 1851Cb -0.01 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 3h0j s GLU 1851CO -0.11 0.30 -0.08 0.99 -0.49 0.00 0.00 175.26 175.87 3h0j s THR 1852N -0.79 0.74 0.29 3.63 2.01 0.16 -4.90 115.64 116.78 3h0j s THR 1852Ca 0.45 -1.77 0.24 0.00 0.31 0.00 0.00 61.69 60.91 3h0j s THR 1852Cb -0.28 -1.48 0.23 0.00 0.01 0.00 0.00 72.50 70.98 3h0j s THR 1852CO 0.35 -0.74 1.93 -0.08 -0.69 0.00 0.00 174.62 175.38 3h0j h GLU 1853N 3.27 0.00 -0.88 4.92 4.81 -2.04 -2.94 114.58 121.73 3h0j h GLU 1853Ca -0.36 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.29 3h0j h GLU 1853Cb 1.18 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.25 3h0j h GLU 1853CO 0.59 0.21 0.38 -1.13 -0.73 0.00 0.00 179.01 178.33 3h0j n SER 1854N -3.60 6.08 0.00 1.04 3.41 -1.26 -5.04 113.62 114.24 3h0j n SER 1854Ca -0.01 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 3h0j n SER 1854Cb 0.35 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3h0j n SER 1854CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h0j n GLY 1855N -0.92 0.30 3.38 5.00 0.00 -1.11 -5.02 105.19 106.81 3h0j n GLY 1855Ca 0.55 -2.31 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3h0j n GLY 1855CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h0j s PHE 1856N -0.33 2.92 -0.36 1.61 5.36 -1.26 -0.67 117.98 125.26 3h0j s PHE 1856Ca 0.00 -0.67 -0.19 0.00 -0.96 0.00 0.00 56.93 55.11 3h0j s PHE 1856Cb 0.00 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 3h0j s PHE 1856CO 0.00 -0.30 0.56 -1.21 -1.46 0.00 0.00 175.22 172.81 3h0j s GLU 1857N 0.80 3.60 0.25 10.12 2.02 0.32 -4.93 118.70 130.88 3h0j s GLU 1857Ca -0.02 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.54 3h0j s GLU 1857Cb -0.15 -3.82 -0.10 0.00 0.10 0.00 0.00 34.13 30.16 3h0j s GLU 1857CO 0.01 -0.70 1.37 0.71 0.02 0.00 0.00 175.26 176.67 3h0j s TYR 1858N 2.51 3.10 0.00 1.61 1.51 -1.26 -0.54 117.35 124.28 3h0j s TYR 1858Ca 0.20 1.17 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 3h0j s TYR 1858Cb -0.15 -3.72 0.00 0.00 -0.11 0.00 0.00 41.96 37.98 3h0j s TYR 1858CO 0.14 -2.24 0.00 0.41 -1.11 0.00 0.00 175.55 172.75 3h0j n GLY 1859N 1.95 0.85 0.30 0.71 0.00 -1.26 -1.28 105.19 106.46 3h0j n GLY 1859Ca 0.05 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 3h0j n GLY 1859CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h0j h LEU 1860N 0.00 1.00-10.46 0.99 5.85 -0.28 -3.44 115.31 108.98 3h0j h LEU 1860Ca 0.00 -0.28 -0.43 0.00 0.84 0.00 0.00 57.88 58.02 3h0j h LEU 1860Cb 0.00 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 40.79 3h0j h LEU 1860CO 0.00 1.05 -0.22 -0.36 -0.34 0.00 0.00 178.44 178.57 3h0j s PHE 1861N -5.03 2.74 0.26 1.25 0.40 -0.26 -4.73 117.98 112.62 3h0j s PHE 1861Ca -0.11 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.55 3h0j s PHE 1861Cb 0.14 -2.42 -0.14 0.00 0.51 0.00 0.00 43.02 41.11 3h0j s PHE 1861CO 0.85 -0.52 1.28 -0.25 0.70 0.00 0.00 175.22 177.28 3h0j n ASP 1862N -1.94 2.29 -4.71 1.36 9.92 0.04 -4.78 116.55 118.74 3h0j n ASP 1862Ca 0.08 1.16 -0.43 0.00 -0.53 0.00 0.00 54.79 55.07 3h0j n ASP 1862Cb 0.59 -1.38 -0.02 0.00 -0.64 0.00 0.00 41.12 39.67 3h0j n ASP 1862CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3h0j n LYS 1863N 1.48 2.36 -1.49 -1.24 4.81 -1.26 -1.91 118.16 120.91 3h0j n LYS 1863Ca 0.10 0.84 -0.17 0.00 -0.87 0.00 0.00 58.31 58.21 3h0j n LYS 1863Cb 0.31 -2.55 -0.07 0.00 0.02 0.00 0.00 35.03 32.74 3h0j n LYS 1863CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h0j n GLY 1864N 2.06 1.68 0.65 3.14 0.00 -1.26 -4.87 105.19 106.59 3h0j n GLY 1864Ca 0.10 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.05 3h0j n GLY 1864CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h0j n SER 1865N -0.84 2.34 -4.61 1.61 3.41 -0.80 -4.93 113.62 109.79 3h0j n SER 1865Ca -0.17 -1.67 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 3h0j n SER 1865Cb 0.57 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 3h0j n SER 1865CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3h0j s PHE 1866N -2.01 2.96 -0.63 7.33 5.99 -1.26 -3.77 117.98 126.59 3h0j s PHE 1866Ca 0.21 0.87 -0.05 0.00 0.00 0.00 0.00 56.93 57.96 3h0j s PHE 1866Cb 0.17 -4.09 0.16 0.00 0.00 0.00 0.00 43.02 39.26 3h0j s PHE 1866CO 0.38 -1.05 0.47 0.12 -0.00 0.00 0.00 175.22 175.14 3h0j s PHE 1867N 4.07 3.48 0.38 10.12 5.36 0.40 -4.95 117.98 136.84 3h0j s PHE 1867Ca 0.46 -2.53 -0.25 0.00 -0.96 0.00 0.00 56.93 53.64 3h0j s PHE 1867Cb -0.09 -3.32 -0.09 0.00 -0.34 0.00 0.00 43.02 39.18 3h0j s PHE 1867CO 0.25 -0.88 1.14 -2.00 -1.46 0.00 0.00 175.22 172.26 3h0j s GLU 1868N 0.14 4.15 0.18 10.12 2.12 -1.26 -0.96 118.70 133.18 3h0j s GLU 1868Ca 0.16 1.77 -0.00 0.00 0.36 0.00 0.00 54.97 57.25 3h0j s GLU 1868Cb -0.19 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 3h0j s GLU 1868CO -0.04 -0.22 0.07 0.95 -0.54 0.00 0.00 175.26 175.49 3h0j s THR 1869N -1.43 0.23 -1.22 -1.70 -4.23 -0.50 -4.80 115.64 101.99 3h0j s THR 1869Ca 0.56 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 3h0j s THR 1869Cb -0.29 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.29 3h0j s THR 1869CO 0.37 -0.27 0.10 0.18 -0.54 0.00 0.00 174.62 174.46 3h0j n LEU 1870N -0.22 -1.41 0.00 4.79 4.77 0.12 -4.50 117.00 120.55 3h0j n LEU 1870Ca -0.03 0.06 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 3h0j n LEU 1870Cb 0.65 -2.31 0.31 0.00 -2.33 0.00 0.00 43.42 39.73 3h0j n LEU 1870CO 0.33 -0.08 0.71 -1.54 -1.33 0.00 0.00 177.39 175.48 3h0j n SER 1871N -1.94 0.00 -0.91 -1.43 3.41 -1.24 -2.88 113.62 108.63 3h0j n SER 1871Ca -0.14 0.41 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 3h0j n SER 1871Cb 0.61 -0.46 0.19 0.00 -0.26 0.00 0.00 64.21 64.30 3h0j n SER 1871CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h0j n GLY 1872N -0.08 1.97 3.17 5.00 0.00 -1.26 -4.90 105.19 109.09 3h0j n GLY 1872Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 3h0j n GLY 1872CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h0j s TRP 1873N -1.13 1.25 -0.62 1.61 -0.00 -1.14 -3.84 118.94 115.07 3h0j s TRP 1873Ca 0.32 -0.44 -0.07 0.00 -0.00 0.00 0.00 56.10 55.91 3h0j s TRP 1873Cb 0.18 -0.70 0.01 0.00 -0.00 0.00 0.00 33.47 32.95 3h0j s TRP 1873CO 0.24 0.06 0.41 0.00 -0.00 0.00 0.00 176.95 177.66 3h0j n ALA 1874N 1.35 -2.16 0.93 5.86 0.00 -1.26 -4.72 120.51 120.51 3h0j n ALA 1874Ca -0.21 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.01 3h0j n ALA 1874Cb 0.54 -0.79 0.13 0.00 0.00 0.00 0.00 19.45 19.34 3h0j n ALA 1874CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h0j n LYS 1875N -2.40 0.46 0.23 0.00 5.02 -1.26 -2.52 118.16 117.69 3h0j n LYS 1875Ca -0.18 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.22 3h0j n LYS 1875Cb 0.43 -1.15 0.47 0.00 -0.02 0.00 0.00 35.03 34.76 3h0j n LYS 1875CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3h0j h GLY 1876N 2.64 0.00 -4.38 0.72 0.00 -1.91 -3.43 103.07 96.72 3h0j h GLY 1876Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3h0j h GLY 1876CO 0.00 0.00 -0.85 0.54 0.00 0.00 0.00 176.54 176.23 3h0j s VAL 1877N -3.64 1.81 -0.17 4.60 0.11 -1.05 -1.38 120.40 120.68 3h0j s VAL 1877Ca 0.01 -1.32 -0.00 0.00 -2.93 0.00 0.00 61.98 57.73 3h0j s VAL 1877Cb 0.10 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 3h0j s VAL 1877CO 0.63 0.20 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.76 3h0j s VAL 1878N -0.87 2.61 0.04 2.04 1.01 0.60 -4.88 120.40 120.95 3h0j s VAL 1878Ca 0.09 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3h0j s VAL 1878Cb -0.09 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3h0j s VAL 1878CO 0.02 0.51 -0.12 0.68 0.00 0.00 0.00 175.10 176.19 3h0j s VAL 1879N 1.05 0.96 0.00 2.92 -7.23 -1.26 0.07 120.40 116.91 3h0j s VAL 1879Ca -0.01 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3h0j s VAL 1879Cb -0.15 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.90 3h0j s VAL 1879CO -0.04 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 3h0j n GLY 1880N 1.84 -0.20 3.93 2.32 0.00 -0.76 -1.41 105.19 110.91 3h0j n GLY 1880Ca -0.19 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 3h0j n GLY 1880CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h0j s ARG 1881N -2.00 3.29 0.24 1.61 1.81 -0.14 0.21 118.95 123.97 3h0j s ARG 1881Ca 0.00 -0.17 -0.22 0.00 -1.72 0.00 0.00 55.73 53.62 3h0j s ARG 1881Cb 0.00 -2.49 0.05 0.00 -0.45 0.00 0.00 34.95 32.07 3h0j s ARG 1881CO 0.00 -0.21 0.88 0.00 -0.68 0.00 0.00 175.30 175.28 3h0j s ALA 1882N -2.62 -1.35 0.01 2.13 0.00 -0.41 -0.45 121.76 119.06 3h0j s ALA 1882Ca 0.47 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.24 3h0j s ALA 1882Cb -0.10 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 3h0j s ALA 1882CO 0.41 -1.04 -0.16 1.03 0.00 0.00 0.00 175.76 176.00 3h0j s ARG 1883N -3.09 1.17 -0.42 0.00 0.52 -1.26 -0.59 118.95 115.29 3h0j s ARG 1883Ca 0.14 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 3h0j s ARG 1883Cb -0.04 -1.16 0.11 0.00 0.52 0.00 0.00 34.95 34.39 3h0j s ARG 1883CO 0.06 0.31 0.15 -1.17 0.02 0.00 0.00 175.30 174.67 3h0j s LEU 1884N -0.65 4.43 -1.49 2.53 2.96 0.11 -0.78 118.68 125.79 3h0j s LEU 1884Ca 0.05 -2.54 -0.03 0.00 -0.22 0.00 0.00 54.13 51.39 3h0j s LEU 1884Cb -0.07 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.03 3h0j s LEU 1884CO 0.00 -0.31 0.38 0.61 -1.32 0.00 0.00 176.35 175.71 3h0j n GLY 1885N 3.73 -0.41 0.00 7.98 0.00 -1.26 -2.28 105.19 112.94 3h0j n GLY 1885Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3h0j n GLY 1885CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0j n GLY 1886N -1.32 3.12 3.68 -0.02 0.00 -1.26 -4.73 105.19 104.66 3h0j n GLY 1886Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3h0j n GLY 1886CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h0j s ILE 1887N -2.83 4.62 0.31 -0.61 1.01 -0.97 -0.10 121.20 122.63 3h0j s ILE 1887Ca 0.00 1.91 -0.23 0.00 0.00 0.00 0.00 60.65 62.33 3h0j s ILE 1887Cb 0.00 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 3h0j s ILE 1887CO 0.00 -0.02 0.86 -2.16 0.00 0.00 0.00 174.94 173.62 3h0j s PRO 1888N 2.23 4.40 0.09 2.79 0.04 -1.26 0.05 135.00 143.34 3h0j s PRO 1888Ca 0.50 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 3h0j s PRO 1888Cb -0.20 -2.71 0.08 0.00 0.04 0.00 0.00 34.50 31.71 3h0j s PRO 1888CO 0.18 0.26 0.73 -0.48 0.04 0.00 0.00 177.00 177.73 3h0j s LEU 1889N -2.25 -0.47 0.23 -3.56 2.34 0.25 -4.48 118.68 110.74 3h0j s LEU 1889Ca 0.50 -0.01 -0.20 0.00 0.06 0.00 0.00 54.13 54.48 3h0j s LEU 1889Cb -0.16 2.34 -0.08 0.00 -0.56 0.00 0.00 46.19 47.72 3h0j s LEU 1889CO 0.21 -0.81 0.74 -0.83 -1.06 0.00 0.00 176.35 174.60 3h0j s GLY 1890N -2.63 2.62 0.04 -3.48 0.00 -0.69 -1.29 107.32 101.89 3h0j s GLY 1890Ca 0.03 0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.99 3h0j s GLY 1890CO -0.11 0.55 -0.14 0.14 0.00 0.00 0.00 173.10 173.53 3h0j s VAL 1891N -1.53 1.14 -0.04 1.40 1.01 0.13 -1.56 120.40 120.95 3h0j s VAL 1891Ca 0.44 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3h0j s VAL 1891Cb -0.17 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.21 3h0j s VAL 1891CO 0.21 0.03 0.03 -0.63 0.00 0.00 0.00 175.10 174.75 3h0j s ILE 1892N -0.82 0.00 0.19 2.22 1.01 -0.87 -1.82 121.20 121.11 3h0j s ILE 1892Ca 0.02 0.28 0.05 0.00 0.00 0.00 0.00 60.65 61.00 3h0j s ILE 1892Cb -0.08 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 3h0j s ILE 1892CO 0.01 0.16 -0.08 -0.83 0.00 0.00 0.00 174.94 174.19 3h0j s GLY 1893N 1.63 1.33 -0.19 6.18 0.00 0.11 -0.91 107.32 115.48 3h0j s GLY 1893Ca -0.02 -1.63 -0.08 0.00 0.00 0.00 0.00 44.72 42.99 3h0j s GLY 1893CO -0.03 -1.67 0.09 0.14 0.00 0.00 0.00 173.10 171.63 3h0j s VAL 1894N -3.24 5.03 -0.59 1.40 1.01 -1.26 -0.29 120.40 122.45 3h0j s VAL 1894Ca 0.22 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 3h0j s VAL 1894Cb 0.03 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.15 3h0j s VAL 1894CO 0.05 0.46 1.38 -0.70 0.00 0.00 0.00 175.10 176.29 3h0j s GLU 1895N 0.31 3.30 0.26 2.72 2.56 -0.48 -4.65 118.70 122.72 3h0j s GLU 1895Ca 0.05 0.34 -0.02 0.00 0.00 0.00 0.00 54.97 55.34 3h0j s GLU 1895Cb -0.12 -4.12 0.33 0.00 2.00 0.00 0.00 34.13 32.22 3h0j s GLU 1895CO -0.01 -1.95 1.75 1.79 -0.56 0.00 0.00 175.26 176.28 3h0j h THR 1896N 6.32 1.24 -3.80 -1.70 1.35 -1.86 -3.26 112.91 111.20 3h0j h THR 1896Ca -0.27 -1.02 -0.52 0.00 -0.55 0.00 0.00 66.41 64.06 3h0j h THR 1896Cb 1.08 0.90 0.05 0.00 -1.73 0.00 0.00 68.15 68.46 3h0j h THR 1896CO 1.19 0.36 0.61 -0.13 -0.25 0.00 0.00 175.52 177.30 3h0j s ARG 1897N -4.96 4.41 0.47 4.72 0.52 -1.26 -3.93 118.95 118.92 3h0j s ARG 1897Ca -0.09 2.13 -0.23 0.00 -0.52 0.00 0.00 55.73 57.02 3h0j s ARG 1897Cb 0.15 -3.11 -0.07 0.00 0.52 0.00 0.00 34.95 32.44 3h0j s ARG 1897CO 0.81 -0.13 1.23 -0.08 0.02 0.00 0.00 175.30 177.15 3h0j s THR 1898N -0.99 2.78 -0.12 0.02 -1.32 -1.26 -4.26 115.64 110.50 3h0j s THR 1898Ca 0.49 0.60 -0.05 0.00 -1.21 0.00 0.00 61.69 61.52 3h0j s THR 1898Cb -0.38 -3.31 -0.04 0.00 -1.51 0.00 0.00 72.50 67.26 3h0j s THR 1898CO 0.49 0.01 0.09 -0.69 -2.21 0.00 0.00 174.62 172.31 3h0j s VAL 1899N -1.44 5.07 -1.07 5.08 1.01 0.24 -4.91 120.40 124.38 3h0j s VAL 1899Ca 0.64 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 3h0j s VAL 1899Cb -0.33 -3.20 0.27 0.00 0.00 0.00 0.00 36.38 33.12 3h0j s VAL 1899CO 0.40 0.60 1.07 -0.62 0.00 0.00 0.00 175.10 176.55 3h0j n GLU 1900N 2.20 3.41 -2.43 2.72 -0.58 -1.26 -0.52 120.64 124.18 3h0j n GLU 1900Ca -0.19 -4.47 -0.42 0.00 -0.42 0.00 0.00 57.16 51.66 3h0j n GLU 1900Cb 0.54 -2.52 -0.02 0.00 -0.57 0.00 0.00 31.44 28.87 3h0j n GLU 1900CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3h0j s ASN 1901N 0.87 6.29 -0.38 1.62 3.84 -0.39 -4.92 114.94 121.87 3h0j s ASN 1901Ca 0.30 0.44 -0.17 0.00 0.21 0.00 0.00 52.86 53.64 3h0j s ASN 1901Cb -0.09 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.07 3h0j s ASN 1901CO -0.08 -1.54 0.43 -0.22 -2.79 0.00 0.00 177.10 172.90 3h0j s LEU 1902N 5.54 4.61 -0.01 3.21 1.98 -1.26 -0.32 118.68 132.43 3h0j s LEU 1902Ca 0.53 -0.40 -0.19 0.00 -2.89 0.00 0.00 54.13 51.18 3h0j s LEU 1902Cb -0.11 -2.42 -0.05 0.00 0.66 0.00 0.00 46.19 44.27 3h0j s LEU 1902CO 0.28 -0.49 0.55 -0.63 -1.89 0.00 0.00 176.35 174.17 3h0j s ILE 1903N 2.17 4.94 0.84 6.68 -1.09 0.21 -4.94 121.20 130.01 3h0j s ILE 1903Ca 0.14 1.15 -0.13 0.00 -2.23 0.00 0.00 60.65 59.58 3h0j s ILE 1903Cb -0.16 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 36.94 3h0j s ILE 1903CO 0.13 0.44 1.20 -2.16 -1.23 0.00 0.00 174.94 173.32 3h0j s PRO 1904N -0.30 1.68 0.14 2.79 0.04 -1.26 -1.25 135.00 136.84 3h0j s PRO 1904Ca 0.29 0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 3h0j s PRO 1904Cb -0.18 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3h0j s PRO 1904CO 0.16 -1.78 0.38 0.00 0.04 0.00 0.00 177.00 175.81 3h0j s ALA 1905N -3.61 3.78 -0.60 8.56 0.00 -1.26 -4.70 121.76 123.92 3h0j s ALA 1905Ca 0.64 -0.54 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 3h0j s ALA 1905Cb -0.10 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.92 3h0j s ALA 1905CO 0.50 0.66 1.06 0.34 0.00 0.00 0.00 175.76 178.32 3h0j s ASP 1906N -2.40 6.32 0.54 0.00 3.68 -1.26 -4.88 116.67 118.66 3h0j s ASP 1906Ca 0.41 -0.33 0.23 0.00 2.13 0.00 0.00 52.55 54.99 3h0j s ASP 1906Cb -0.12 -2.48 1.40 0.00 -1.45 0.00 0.00 42.92 40.27 3h0j s ASP 1906CO 0.24 -1.41 2.06 1.55 0.13 0.00 0.00 175.17 177.74 3h0j h PRO 1907N 9.51 0.00 0.00 4.34 0.13 -1.96 0.19 132.00 144.22 3h0j h PRO 1907Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3h0j h PRO 1907Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h0j h PRO 1907CO 1.16 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.93 3h0j h ALA 1908N 1.82 1.00 -3.20 -0.56 0.00 -1.89 -3.39 119.26 113.03 3h0j h ALA 1908Ca 0.15 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.43 3h0j h ALA 1908Cb 0.62 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.07 3h0j h ALA 1908CO -0.00 -0.00 -0.85 1.21 0.00 0.00 0.00 179.25 179.60 3h0j s ASN 1909N -4.46 2.81 0.18 0.00 2.47 0.68 -5.04 114.94 111.58 3h0j s ASN 1909Ca -0.03 -0.53 -0.12 0.00 0.42 0.00 0.00 52.86 52.60 3h0j s ASN 1909Cb 0.09 -1.28 0.09 0.00 -1.45 0.00 0.00 41.25 38.70 3h0j s ASN 1909CO 0.28 0.03 1.81 -0.65 -3.72 0.00 0.00 177.10 174.85 3h0j h PRO 1910N 7.51 0.84 -0.92 0.43 0.11 -1.80 -2.85 132.00 135.32 3h0j h PRO 1910Ca -0.34 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3h0j h PRO 1910Cb 1.17 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3h0j h PRO 1910CO 0.53 0.61 0.02 0.09 -0.21 0.00 0.00 178.00 179.04 3h0j n ASN 1911N -4.60 2.19 -4.85 -2.05 5.03 -1.26 -4.88 115.26 104.84 3h0j n ASN 1911Ca 0.04 -2.22 -0.35 0.00 0.87 0.00 0.00 54.58 52.92 3h0j n ASN 1911Cb 0.06 -0.55 -0.06 0.00 -1.02 0.00 0.00 39.78 38.22 3h0j n ASN 1911CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3h0j s SER 1912N -0.09 6.80 0.14 6.41 0.15 -1.08 -5.09 113.70 120.95 3h0j s SER 1912Ca 0.12 1.05 -0.07 0.00 0.70 0.00 0.00 55.95 57.75 3h0j s SER 1912Cb 0.09 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 62.11 3h0j s SER 1912CO 0.03 0.11 0.21 0.00 1.20 0.00 0.00 173.24 174.79 3h0j s ALA 1913N -1.46 0.12 1.27 5.45 0.00 -1.26 -4.86 121.76 121.01 3h0j s ALA 1913Ca 0.37 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 51.21 3h0j s ALA 1913Cb -0.15 0.75 0.28 0.00 0.00 0.00 0.00 23.12 24.01 3h0j s ALA 1913CO 0.19 -0.58 0.67 0.39 0.00 0.00 0.00 175.76 176.43 3h0j n GLU 1914N -0.15 -3.35 -3.64 0.00 1.02 -1.26 -4.42 120.64 108.84 3h0j n GLU 1914Ca -0.09 -0.98 -0.02 0.00 -0.02 0.00 0.00 57.16 56.04 3h0j n GLU 1914Cb 0.63 -1.86 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 3h0j n GLU 1914CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h0j s THR 1915N -2.19 -0.93 -0.47 2.62 2.01 -0.38 -4.95 115.64 111.36 3h0j s THR 1915Ca 0.60 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.46 3h0j s THR 1915Cb -0.14 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.49 3h0j s THR 1915CO 0.55 0.01 0.46 -0.22 -0.69 0.00 0.00 174.62 174.74 3h0j s LEU 1916N 2.84 5.25 -0.29 4.42 2.96 -1.26 0.64 118.68 133.24 3h0j s LEU 1916Ca -0.04 -1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 52.68 3h0j s LEU 1916Cb -0.12 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 3h0j s LEU 1916CO -0.18 -0.69 0.35 -0.63 -1.32 0.00 0.00 176.35 173.88 3h0j s ILE 1917N 2.02 5.19 -0.11 6.68 -1.09 0.57 -4.96 121.20 129.50 3h0j s ILE 1917Ca 0.09 0.41 -0.25 0.00 -2.23 0.00 0.00 60.65 58.67 3h0j s ILE 1917Cb -0.21 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 3h0j s ILE 1917CO 0.10 0.12 0.77 -1.10 -1.23 0.00 0.00 174.94 173.60 3h0j s GLN 1918N 2.02 4.38 -0.33 2.79 -1.52 -1.26 -1.26 119.66 124.47 3h0j s GLN 1918Ca 0.13 0.97 0.00 0.00 -1.95 0.00 0.00 55.36 54.52 3h0j s GLN 1918Cb -0.16 -3.50 0.08 0.00 -0.22 0.00 0.00 33.01 29.21 3h0j s GLN 1918CO 0.10 -0.11 0.05 -1.21 -0.25 0.00 0.00 175.29 173.87 3h0j s GLU 1919N 1.40 2.00 0.22 2.91 2.02 0.32 -4.96 118.70 122.61 3h0j s GLU 1919Ca 0.39 -1.61 -0.30 0.00 0.02 0.00 0.00 54.97 53.47 3h0j s GLU 1919Cb -0.17 -3.25 -0.09 0.00 0.10 0.00 0.00 34.13 30.72 3h0j s GLU 1919CO 0.17 -0.83 1.27 -1.25 0.02 0.00 0.00 175.26 174.64 3h0j s PRO 1920N 1.09 4.43 1.07 0.39 0.04 -1.26 0.80 135.00 141.56 3h0j s PRO 1920Ca 0.03 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 3h0j s PRO 1920Cb -0.20 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.23 3h0j s PRO 1920CO -0.05 -0.17 0.07 0.41 0.04 0.00 0.00 177.00 177.31 3h0j n GLY 1921N 1.97 -2.41 2.12 0.56 0.00 -1.25 -3.30 105.19 102.88 3h0j n GLY 1921Ca 0.04 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 3h0j n GLY 1921CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h0j n GLN 1922N -1.86 -1.97 -3.86 1.61 6.02 -1.23 -4.89 117.38 111.20 3h0j n GLN 1922Ca 0.02 0.42 -0.24 0.00 -0.01 0.00 0.00 57.00 57.19 3h0j n GLN 1922Cb 0.60 -4.82 -0.17 0.00 1.02 0.00 0.00 30.24 26.87 3h0j n GLN 1922CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h0j s VAL 1923N -2.11 0.59 0.20 5.09 1.01 -1.21 0.11 120.40 124.09 3h0j s VAL 1923Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3h0j s VAL 1923Cb 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 3h0j s VAL 1923CO 0.00 0.29 1.26 0.26 0.00 0.00 0.00 175.10 176.91 3h0j s TRP 1924N 1.77 3.32 0.45 5.22 0.51 -0.55 -4.86 118.94 124.80 3h0j s TRP 1924Ca 0.03 1.31 0.04 0.00 -2.12 0.00 0.00 56.10 55.36 3h0j s TRP 1924Cb -0.13 -3.53 -0.04 0.00 -0.81 0.00 0.00 33.47 28.96 3h0j s TRP 1924CO -0.05 -1.60 0.02 -1.01 -0.51 0.00 0.00 176.95 173.80 3h0j s HIS 1925N 0.00 2.08 0.19 -1.98 3.76 -1.26 -1.15 115.29 116.94 3h0j s HIS 1925Ca 0.55 -0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 54.43 3h0j s HIS 1925Cb -0.35 -1.60 0.21 0.00 1.11 0.00 0.00 32.58 31.95 3h0j s HIS 1925CO 0.38 0.23 1.68 -1.35 -0.85 0.00 0.00 174.74 174.83 3h0j h PRO 1926N 1.59 0.11 -0.42 8.40 0.11 -1.89 -0.51 132.00 139.40 3h0j h PRO 1926Ca -0.43 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3h0j h PRO 1926Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3h0j h PRO 1926CO 0.74 0.07 -0.23 -2.95 -0.21 0.00 0.00 178.00 175.42 3h0j h ASN 1927N 0.11 0.89 0.40 -2.05 7.08 -1.96 -2.28 115.58 117.77 3h0j h ASN 1927Ca 0.26 -0.33 -0.08 0.00 -3.08 0.00 0.00 56.30 53.07 3h0j h ASN 1927Cb 0.40 -0.24 -0.01 0.00 -2.08 0.00 0.00 38.32 36.39 3h0j h ASN 1927CO -0.44 1.08 -0.39 -1.28 -2.08 0.00 0.00 177.43 174.32 3h0j h SER 1928N 0.75 0.00 -0.05 6.14 0.87 -1.73 -0.20 113.55 119.33 3h0j h SER 1928Ca 0.10 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 3h0j h SER 1928Cb 0.78 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.75 3h0j h SER 1928CO 0.06 0.39 -0.51 0.00 -0.53 0.00 0.00 176.83 176.25 3h0j h ALA 1929N 1.61 0.12 -0.05 6.23 0.00 -1.01 -2.25 119.26 123.92 3h0j h ALA 1929Ca -0.00 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.41 3h0j h ALA 1929Cb 0.69 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3h0j h ALA 1929CO 0.05 0.32 -0.14 0.35 0.00 0.00 0.00 179.25 179.83 3h0j h PHE 1930N -0.06 -0.36 -0.05 0.00 -0.00 -1.08 0.87 116.94 116.26 3h0j h PHE 1930Ca -0.05 0.02 0.03 0.00 -0.00 0.00 0.00 57.97 57.96 3h0j h PHE 1930Cb 1.19 0.17 -0.04 0.00 -0.00 0.00 0.00 35.95 37.27 3h0j h PHE 1930CO 0.13 -0.21 -0.14 -0.22 -0.00 0.00 0.00 178.31 177.88 3h0j h LYS 1931N -0.21 -0.20 -0.43 1.11 3.64 -1.10 0.22 116.57 119.61 3h0j h LYS 1931Ca 0.06 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 3h0j h LYS 1931Cb 0.30 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 3h0j h LYS 1931CO -0.17 -0.13 0.02 1.15 -2.27 0.00 0.00 179.45 178.05 3h0j h THR 1932N -0.21 0.70 -0.57 1.00 2.02 -0.88 0.33 112.91 115.31 3h0j h THR 1932Ca 0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 3h0j h THR 1932Cb 0.30 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3h0j h THR 1932CO -0.18 0.02 0.16 0.00 0.37 0.00 0.00 175.52 175.89 3h0j h ALA 1933N 1.36 1.21 0.32 6.16 0.00 -0.35 -2.70 119.26 125.26 3h0j h ALA 1933Ca 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3h0j h ALA 1933Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h0j h ALA 1933CO -0.33 0.55 -0.15 0.37 0.00 0.00 0.00 179.25 179.69 3h0j h GLN 1934N 0.83 -0.41 -0.59 0.00 5.75 0.88 -2.60 115.11 118.98 3h0j h GLN 1934Ca 0.19 0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.81 3h0j h GLN 1934Cb 0.27 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 3h0j h GLN 1934CO -0.00 -0.19 0.19 0.00 -2.65 0.00 0.00 178.83 176.17 3h0j h ALA 1935N 0.10 0.74 -0.68 3.38 0.00 -0.93 0.38 119.26 122.24 3h0j h ALA 1935Ca -0.04 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3h0j h ALA 1935Cb 0.41 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3h0j h ALA 1935CO 0.07 -0.23 0.31 0.82 0.00 0.00 0.00 179.25 180.22 3h0j h ILE 1936N 0.35 0.81 -0.24 0.00 2.04 -1.40 0.39 117.51 119.46 3h0j h ILE 1936Ca 0.30 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.82 3h0j h ILE 1936Cb 0.39 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3h0j h ILE 1936CO -0.33 0.10 -0.48 0.78 0.00 0.00 0.00 178.15 178.22 3h0j h ASN 1937N 0.53 0.70 0.23 1.72 -0.26 -0.78 -2.28 115.58 115.43 3h0j h ASN 1937Ca 0.34 -0.35 -0.14 0.00 -0.56 0.00 0.00 56.30 55.59 3h0j h ASN 1937Cb 0.39 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3h0j h ASN 1937CO -0.29 1.07 -0.52 0.44 -1.06 0.00 0.00 177.43 177.07 3h0j h ASP 1938N 0.51 0.36 -0.39 5.81 3.45 -0.05 0.23 116.42 126.34 3h0j h ASP 1938Ca 0.03 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 57.20 3h0j h ASP 1938Cb 1.03 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.68 3h0j h ASP 1938CO 0.10 0.82 -0.13 -0.26 -1.57 0.00 0.00 179.24 178.19 3h0j h PHE 1939N 0.25 0.94 0.41 4.55 0.05 -0.18 -3.34 116.94 119.63 3h0j h PHE 1939Ca 0.01 -0.19 -0.02 0.00 3.82 0.00 0.00 57.97 61.59 3h0j h PHE 1939Cb 1.01 -0.24 0.00 0.00 2.00 0.00 0.00 35.95 38.73 3h0j h PHE 1939CO 0.03 0.93 -0.20 -0.97 -0.18 0.00 0.00 178.31 177.91 3h0j h ASN 1940N 0.76 -0.47 -3.20 2.17 -1.24 -0.96 -1.73 115.58 110.91 3h0j h ASN 1940Ca 0.12 0.02 -0.54 0.00 0.71 0.00 0.00 56.30 56.60 3h0j h ASN 1940Cb 0.65 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 3h0j h ASN 1940CO 0.05 -0.07 0.57 0.20 -1.29 0.00 0.00 177.43 176.89 3h0j s ASN 1941N -4.72 7.13 0.00 1.15 -0.87 0.03 -1.96 114.94 115.70 3h0j s ASN 1941Ca -0.08 1.85 0.00 0.00 -1.57 0.00 0.00 52.86 53.06 3h0j s ASN 1941Cb 0.01 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 3h0j s ASN 1941CO 0.24 -0.47 0.00 0.61 -2.57 0.00 0.00 177.10 174.91 3h0j n GLY 1942N 3.20 1.56 0.24 0.66 0.00 -1.26 -4.43 105.19 105.17 3h0j n GLY 1942Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.11 3h0j n GLY 1942CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0j h GLU 1943N 0.00 0.22 -6.96 1.61 5.08 -1.73 -3.38 114.58 109.42 3h0j h GLU 1943Ca 0.00 -0.05 -0.59 0.00 -1.00 0.00 0.00 59.36 57.72 3h0j h GLU 1943Cb 0.00 -0.03 -0.29 0.00 0.50 0.00 0.00 28.75 28.93 3h0j h GLU 1943CO 0.00 0.35 -0.88 1.04 -1.00 0.00 0.00 179.01 178.53 3h0j n GLN 1944N -4.29 -1.96 -3.46 2.33 6.02 -0.78 -4.47 117.38 110.77 3h0j n GLN 1944Ca -0.01 0.26 -0.27 0.00 -0.01 0.00 0.00 57.00 56.97 3h0j n GLN 1944Cb 0.26 -4.84 -0.03 0.00 1.02 0.00 0.00 30.24 26.65 3h0j n GLN 1944CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h0j s LEU 1945N -7.26 4.10 0.85 1.08 1.43 -0.72 -4.86 118.68 113.30 3h0j s LEU 1945Ca 0.73 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 3h0j s LEU 1945Cb -0.41 -3.37 0.13 0.00 0.03 0.00 0.00 46.19 42.58 3h0j s LEU 1945CO 0.98 -0.17 1.19 -2.16 0.23 0.00 0.00 176.35 176.42 3h0j s PRO 1946N -3.65 1.39 0.00 1.29 0.04 -1.26 -4.65 135.00 128.17 3h0j s PRO 1946Ca 0.41 -0.33 -0.16 0.00 0.04 0.00 0.00 61.00 60.96 3h0j s PRO 1946Cb -0.11 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3h0j s PRO 1946CO 0.31 -1.87 0.34 1.41 0.04 0.00 0.00 177.00 177.22 3h0j s MET 1947N -5.60 0.74 -0.03 4.56 1.75 -0.36 -1.70 119.30 118.65 3h0j s MET 1947Ca 0.67 -0.25 0.04 0.00 -1.25 0.00 0.00 55.69 54.91 3h0j s MET 1947Cb -0.07 0.33 -0.01 0.00 2.84 0.00 0.00 34.83 37.92 3h0j s MET 1947CO 0.49 -0.22 -0.16 1.41 -0.65 0.00 0.00 175.02 175.89 3h0j s MET 1948N -1.67 1.61 -0.14 4.11 1.75 -0.60 -0.71 119.30 123.65 3h0j s MET 1948Ca -0.11 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.77 3h0j s MET 1948Cb -0.04 -1.44 0.01 0.00 2.84 0.00 0.00 34.83 36.21 3h0j s MET 1948CO 0.02 0.26 -0.19 0.42 -0.65 0.00 0.00 175.02 174.89 3h0j s ILE 1949N -0.06 1.84 -1.30 10.11 1.01 0.06 -2.05 121.20 130.81 3h0j s ILE 1949Ca -0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3h0j s ILE 1949Cb -0.10 -1.65 0.15 0.00 0.01 0.00 0.00 42.46 40.87 3h0j s ILE 1949CO 0.01 0.51 1.98 0.18 0.00 0.00 0.00 174.94 177.62 3h0j n LEU 1950N 4.26 6.89 -4.68 2.97 7.99 -0.08 -1.41 117.00 132.93 3h0j n LEU 1950Ca -0.19 -4.65 -0.50 0.00 -0.01 0.00 0.00 56.01 50.65 3h0j n LEU 1950Cb 0.51 -1.47 -0.05 0.00 -0.11 0.00 0.00 43.42 42.30 3h0j n LEU 1950CO 0.25 1.47 1.38 0.00 -1.51 0.00 0.00 177.39 178.99 3h0j n ALA 1951N 3.67 0.64 -2.81 -1.18 0.00 -1.11 -4.27 120.51 115.45 3h0j n ALA 1951Ca 0.44 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 54.13 3h0j n ALA 1951Cb 0.35 -2.40 0.03 0.00 0.00 0.00 0.00 19.45 17.42 3h0j n ALA 1951CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h0j n ASN 1952N 5.70 -2.70 -4.24 0.00 5.15 -1.25 -4.02 115.26 113.90 3h0j n ASN 1952Ca 0.22 -3.13 -0.23 0.00 -0.60 0.00 0.00 54.58 50.84 3h0j n ASN 1952Cb 0.26 1.53 -0.13 0.00 -0.53 0.00 0.00 39.78 40.90 3h0j n ASN 1952CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3h0j s TRP 1953N 0.56 1.67 -0.15 1.20 0.51 -0.14 -4.58 118.94 118.00 3h0j s TRP 1953Ca 0.32 -0.40 0.18 0.00 -2.12 0.00 0.00 56.10 54.08 3h0j s TRP 1953Cb 0.16 -0.95 -0.08 0.00 -0.81 0.00 0.00 33.47 31.80 3h0j s TRP 1953CO -0.19 0.13 0.96 0.00 -0.51 0.00 0.00 176.95 177.35 3h0j h ARG 1954N 4.48 0.00 0.00 4.98 3.08 0.56 -3.00 114.38 124.48 3h0j h ARG 1954Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3h0j h ARG 1954Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3h0j h ARG 1954CO 0.42 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.99 3h0j n GLY 1955N 1.33 -0.10 3.83 0.04 0.00 -1.25 -4.29 105.19 104.75 3h0j n GLY 1955Ca -0.06 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 3h0j n GLY 1955CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0j s PHE 1956N -2.21 3.73 -0.11 1.61 0.08 -1.26 -1.49 117.98 118.33 3h0j s PHE 1956Ca 0.00 1.16 -0.29 0.00 0.12 0.00 0.00 56.93 57.91 3h0j s PHE 1956Cb 0.00 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 39.98 3h0j s PHE 1956CO 0.00 0.54 1.82 0.45 -0.10 0.00 0.00 175.22 177.94 3h0j s SER 1957N -1.31 6.32 -0.03 1.36 0.15 -0.30 -4.84 113.70 115.05 3h0j s SER 1957Ca 0.31 2.11 0.18 0.00 0.70 0.00 0.00 55.95 59.25 3h0j s SER 1957Cb -0.17 -2.53 0.57 0.00 -1.71 0.00 0.00 66.02 62.17 3h0j s SER 1957CO 0.18 -1.23 1.47 0.61 1.20 0.00 0.00 173.24 175.46 3h0j n GLY 1958N 4.68 2.01 3.71 9.45 0.00 -1.26 -4.47 105.19 119.31 3h0j n GLY 1958Ca 0.21 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3h0j n GLY 1958CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0j s GLY 1959N -0.95 2.36 0.20 -0.02 0.00 -1.26 -4.70 107.32 102.94 3h0j s GLY 1959Ca 0.42 0.94 -0.14 0.00 0.00 0.00 0.00 44.72 45.95 3h0j s GLY 1959CO 0.26 1.37 1.64 -1.61 0.00 0.00 0.00 173.10 174.76 3h0j h GLN 1960N -0.48 0.02 0.26 2.90 4.15 -2.00 -1.41 115.11 118.55 3h0j h GLN 1960Ca -0.48 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.95 3h0j h GLN 1960Cb 1.31 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 3h0j h GLN 1960CO 0.48 0.02 -0.31 -0.09 -1.93 0.00 0.00 178.83 176.99 3h0j h ARG 1961N 0.02 -0.60 -0.17 1.69 2.43 -1.98 -1.72 114.38 114.05 3h0j h ARG 1961Ca 0.28 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3h0j h ARG 1961Cb 0.44 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3h0j h ARG 1961CO -0.57 -0.40 0.06 -0.44 -1.51 0.00 0.00 179.97 177.11 3h0j h ASP 1962N -0.62 0.21 -0.01 -3.80 3.45 -1.75 -0.24 116.42 113.66 3h0j h ASP 1962Ca -0.00 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 3h0j h ASP 1962Cb 0.59 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 3h0j h ASP 1962CO -0.10 0.21 -0.06 0.24 -1.57 0.00 0.00 179.24 177.96 3h0j h MET 1963N 0.24 0.06 -0.77 3.56 2.86 -1.12 -2.44 114.93 117.32 3h0j h MET 1963Ca 0.06 -0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.81 3h0j h MET 1963Cb 0.07 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 3h0j h MET 1963CO -0.01 0.71 0.51 0.35 1.06 0.00 0.00 176.91 179.54 3h0j h PHE 1964N -0.58 0.48 -0.10 -0.22 3.57 -1.03 0.24 116.94 119.30 3h0j h PHE 1964Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3h0j h PHE 1964Cb 0.72 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3h0j h PHE 1964CO 0.16 0.18 0.06 0.09 -2.23 0.00 0.00 178.31 176.56 3h0j n ASN 1965N -4.48 2.76 -2.86 0.41 3.02 -0.13 -4.88 115.26 109.10 3h0j n ASN 1965Ca 0.15 -2.16 -0.20 0.00 -0.03 0.00 0.00 54.58 52.34 3h0j n ASN 1965Cb 0.55 -0.53 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 3h0j n ASN 1965CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h0j n GLU 1966N 0.27 -3.38 -0.07 3.52 1.02 0.84 -4.85 120.64 117.98 3h0j n GLU 1966Ca 0.06 0.76 0.16 0.00 -0.02 0.00 0.00 57.16 58.11 3h0j n GLU 1966Cb 0.57 -5.49 0.57 0.00 -0.02 0.00 0.00 31.44 27.06 3h0j n GLU 1966CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3h0j h VAL 1967N -0.74 0.81 -1.00 2.62 3.04 -1.55 -0.76 116.25 118.68 3h0j h VAL 1967Ca -0.45 -0.09 0.05 0.00 -1.01 0.00 0.00 66.70 65.20 3h0j h VAL 1967Cb 1.32 0.53 -0.06 0.00 -2.01 0.00 0.00 31.29 31.06 3h0j h VAL 1967CO 0.52 0.05 0.65 0.25 -1.01 0.00 0.00 177.57 178.02 3h0j h LEU 1968N 0.27 1.06 0.21 3.16 5.85 -1.86 0.83 115.31 124.83 3h0j h LEU 1968Ca 0.29 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3h0j h LEU 1968Cb 0.78 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3h0j h LEU 1968CO -0.06 0.70 -0.10 0.11 -0.34 0.00 0.00 178.44 178.75 3h0j h LYS 1969N 1.22 -0.27 -0.47 1.25 1.57 -1.52 -1.94 116.57 116.41 3h0j h LYS 1969Ca 0.41 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.17 3h0j h LYS 1969Cb 0.08 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3h0j h LYS 1969CO -0.15 -0.03 0.11 1.88 -0.57 0.00 0.00 179.45 180.69 3h0j h TYR 1970N -0.48 0.71 -0.49 -1.35 -1.99 -1.37 -1.56 116.97 110.45 3h0j h TYR 1970Ca -0.03 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 3h0j h TYR 1970Cb 0.36 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 3h0j h TYR 1970CO -0.01 0.61 0.20 0.78 -0.00 0.00 0.00 178.16 179.75 3h0j h GLY 1971N 0.89 0.78 1.89 3.88 0.00 -0.79 -2.46 103.07 107.26 3h0j h GLY 1971Ca 0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3h0j h GLY 1971CO -0.00 0.39 -0.04 1.76 0.00 0.00 0.00 176.54 178.65 3h0j h SER 1972N 0.65 0.13 -0.62 0.19 0.02 -0.61 -1.55 113.55 111.75 3h0j h SER 1972Ca 0.16 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 3h0j h SER 1972Cb 0.18 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3h0j h SER 1972CO -0.01 0.20 0.42 -0.26 -1.14 0.00 0.00 176.83 176.03 3h0j h PHE 1973N 0.14 0.55 0.11 3.45 0.05 -0.81 -2.08 116.94 118.35 3h0j h PHE 1973Ca 0.03 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 3h0j h PHE 1973Cb 0.17 -0.18 -0.00 0.00 2.00 0.00 0.00 35.95 37.94 3h0j h PHE 1973CO 0.00 0.28 -0.07 0.82 -0.18 0.00 0.00 178.31 179.16 3h0j h ILE 1974N 0.53 0.85 -0.74 -0.55 2.04 -1.27 0.12 117.51 118.49 3h0j h ILE 1974Ca 0.28 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.24 3h0j h ILE 1974Cb 0.41 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 3h0j h ILE 1974CO -0.09 0.00 0.38 0.58 0.00 0.00 0.00 178.15 179.02 3h0j h VAL 1975N -0.18 0.84 -0.16 1.67 2.07 -1.46 0.61 116.25 119.63 3h0j h VAL 1975Ca -0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3h0j h VAL 1975Cb 0.15 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3h0j h VAL 1975CO 0.01 0.11 0.11 0.44 0.02 0.00 0.00 177.57 178.26 3h0j h ASP 1976N 0.63 0.19 -0.27 0.57 3.45 -0.99 0.71 116.42 120.70 3h0j h ASP 1976Ca 0.37 -0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.86 3h0j h ASP 1976Cb 0.40 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 3h0j h ASP 1976CO -0.28 0.15 0.02 0.00 -1.57 0.00 0.00 179.24 177.56 3h0j h ALA 1977N 1.05 0.26 -0.59 3.45 0.00 0.25 -1.76 119.26 121.91 3h0j h ALA 1977Ca 0.06 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3h0j h ALA 1977Cb -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3h0j h ALA 1977CO -0.01 -0.40 0.25 -0.07 0.00 0.00 0.00 179.25 179.02 3h0j h LEU 1978N 0.10 0.30 -0.82 0.00 -0.00 -0.53 -2.24 115.31 112.12 3h0j h LEU 1978Ca 0.13 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 58.10 3h0j h LEU 1978Cb 0.16 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 40.79 3h0j h LEU 1978CO -0.20 0.19 0.53 0.58 -0.00 0.00 0.00 178.44 179.53 3h0j h VAL 1979N 0.46 1.14 -0.00 1.22 2.07 -0.03 -2.52 116.25 118.60 3h0j h VAL 1979Ca 0.28 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3h0j h VAL 1979Cb 0.29 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3h0j h VAL 1979CO -0.25 0.19 -0.02 -0.67 0.02 0.00 0.00 177.57 176.84 3h0j n ASP 1980N -4.57 0.09 -4.73 0.57 2.03 -0.83 -4.91 116.55 104.20 3h0j n ASP 1980Ca 0.10 -0.36 -0.42 0.00 0.52 0.00 0.00 54.79 54.63 3h0j n ASP 1980Cb 0.07 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.25 3h0j n ASP 1980CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3h0j s TYR 1981N -2.46 3.15 -0.76 -0.67 5.04 -0.88 -4.96 117.35 115.82 3h0j s TYR 1981Ca 0.32 1.01 0.11 0.00 -2.44 0.00 0.00 57.07 56.07 3h0j s TYR 1981Cb 0.21 -3.73 0.31 0.00 0.35 0.00 0.00 41.96 39.10 3h0j s TYR 1981CO 0.45 -2.46 1.26 1.63 -1.34 0.00 0.00 175.55 175.09 3h0j n LYS 1982N 3.04 2.88 -4.37 4.97 5.02 -1.26 -4.88 118.16 123.56 3h0j n LYS 1982Ca 0.09 -2.12 -0.19 0.00 -2.02 0.00 0.00 58.31 54.07 3h0j n LYS 1982Cb 0.41 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.99 3h0j n LYS 1982CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h0j s GLN 1983N -1.26 1.44 0.20 1.97 1.11 -1.26 -5.09 119.66 116.78 3h0j s GLN 1983Ca 0.24 -1.73 -0.32 0.00 0.01 0.00 0.00 55.36 53.56 3h0j s GLN 1983Cb 0.14 -0.84 -0.15 0.00 -1.01 0.00 0.00 33.01 31.16 3h0j s GLN 1983CO 0.14 -0.05 1.23 -2.30 0.01 0.00 0.00 175.29 174.32 3h0j n PRO 1984N -0.50 1.47 -5.15 2.91 -0.02 -1.26 -4.77 135.00 127.68 3h0j n PRO 1984Ca -0.05 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 3h0j n PRO 1984Cb 0.64 -2.06 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 3h0j n PRO 1984CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h0j s ILE 1985N -0.22 1.83 -0.15 4.25 1.01 0.09 -1.23 121.20 126.78 3h0j s ILE 1985Ca 0.70 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 3h0j s ILE 1985Cb -0.77 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.22 3h0j s ILE 1985CO 0.52 0.52 -0.06 -0.63 0.00 0.00 0.00 174.94 175.28 3h0j s ILE 1986N -0.53 1.11 -0.23 2.92 1.01 0.11 -2.82 121.20 122.77 3h0j s ILE 1986Ca 0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 3h0j s ILE 1986Cb -0.09 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 3h0j s ILE 1986CO -0.01 0.22 0.06 -0.63 0.00 0.00 0.00 174.94 174.58 3h0j s ILE 1987N 1.65 4.43 -0.16 2.92 -1.09 -0.18 -0.76 121.20 128.01 3h0j s ILE 1987Ca 0.02 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.27 3h0j s ILE 1987Cb -0.14 -3.04 0.05 0.00 -1.58 0.00 0.00 42.46 37.75 3h0j s ILE 1987CO -0.08 0.38 0.05 -0.47 -1.23 0.00 0.00 174.94 173.59 3h0j s TYR 1988N 1.23 0.62 -0.39 3.97 6.04 -0.50 0.13 117.35 128.45 3h0j s TYR 1988Ca 0.05 -0.49 -0.29 0.00 0.04 0.00 0.00 57.07 56.37 3h0j s TYR 1988Cb -0.14 -0.84 0.01 0.00 -1.04 0.00 0.00 41.96 39.94 3h0j s TYR 1988CO 0.03 -0.51 1.33 0.42 -1.54 0.00 0.00 175.55 175.29 3h0j s ILE 1989N 1.99 4.03 0.97 3.14 1.01 -0.14 -2.75 121.20 129.46 3h0j s ILE 1989Ca 0.01 1.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.64 3h0j s ILE 1989Cb -0.16 -4.26 0.17 0.00 0.01 0.00 0.00 42.46 38.23 3h0j s ILE 1989CO -0.08 -0.71 1.08 -2.16 0.00 0.00 0.00 174.94 173.08 3h0j s PRO 1990N 4.60 0.63 0.27 2.79 0.04 -1.26 -1.34 135.00 140.74 3h0j s PRO 1990Ca 0.57 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 3h0j s PRO 1990Cb -0.13 -1.74 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 3h0j s PRO 1990CO 0.29 -2.67 1.52 -1.25 0.04 0.00 0.00 177.00 174.93 3h0j s PRO 1991N -4.83 4.19 0.00 0.56 0.04 -1.26 -0.65 135.00 133.05 3h0j s PRO 1991Ca 0.65 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.13 3h0j s PRO 1991Cb -0.20 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3h0j s PRO 1991CO 0.59 -0.53 0.00 0.25 0.04 0.00 0.00 177.00 177.35 3h0j n THR 1992N 2.26 0.00 -2.60 1.26 -2.24 0.23 -4.85 114.28 108.34 3h0j n THR 1992Ca 0.07 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 3h0j n THR 1992Cb 0.39 -0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.63 3h0j n THR 1992CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h0j s GLY 1993N -2.00 1.68 0.11 3.38 0.00 0.18 -4.93 107.32 105.74 3h0j s GLY 1993Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 3h0j s GLY 1993CO 0.00 -0.76 0.20 -1.83 0.00 0.00 0.00 173.10 170.71 3h0j s GLU 1994N -4.84 0.93 -0.14 2.90 -1.05 -1.26 -0.93 118.70 114.30 3h0j s GLU 1994Ca 0.54 -1.06 -0.04 0.00 -0.15 0.00 0.00 54.97 54.26 3h0j s GLU 1994Cb -0.10 0.34 0.07 0.00 -0.44 0.00 0.00 34.13 34.00 3h0j s GLU 1994CO 0.41 -0.30 0.23 -1.17 0.95 0.00 0.00 175.26 175.37 3h0j s LEU 1995N -2.90 -0.19 0.37 1.83 2.96 -0.96 -0.97 118.68 118.82 3h0j s LEU 1995Ca 0.10 0.27 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 3h0j s LEU 1995Cb 0.05 0.50 -0.07 0.00 0.50 0.00 0.00 46.19 47.17 3h0j s LEU 1995CO -0.07 -0.27 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.52 3h0j s ARG 1996N 2.36 1.91 0.00 1.98 1.81 -1.13 -2.75 118.95 123.12 3h0j s ARG 1996Ca 0.04 -2.00 0.00 0.00 -1.72 0.00 0.00 55.73 52.05 3h0j s ARG 1996Cb -0.13 -1.70 0.00 0.00 -0.45 0.00 0.00 34.95 32.67 3h0j s ARG 1996CO -0.09 0.05 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 3h0j n GLY 1997N -0.89 0.00 0.27 -3.53 0.00 0.54 -1.64 105.19 99.94 3h0j n GLY 1997Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 3h0j n GLY 1997CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h0j h GLY 1998N 0.00 0.96 1.87 -0.02 0.00 -1.86 -2.91 103.07 101.10 3h0j h GLY 1998Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3h0j h GLY 1998CO 0.00 0.43 0.06 1.48 0.00 0.00 0.00 176.54 178.51 3h0j h SER 1999N 0.87 0.00 0.03 0.19 4.64 -1.58 -2.42 113.55 115.28 3h0j h SER 1999Ca 0.22 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 3h0j h SER 1999Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3h0j h SER 1999CO -0.03 0.00 -0.54 -0.25 -0.87 0.00 0.00 176.83 175.13 3h0j h TRP 2000N 0.00 0.13 -1.11 4.77 2.91 -1.21 -3.35 115.95 118.09 3h0j h TRP 2000Ca 0.01 -0.10 0.31 0.00 1.13 0.00 0.00 58.89 60.24 3h0j h TRP 2000Cb 0.13 -0.01 -0.08 0.00 -0.51 0.00 0.00 29.16 28.70 3h0j h TRP 2000CO 0.00 1.21 0.75 -0.39 -1.03 0.00 0.00 178.44 178.98 3h0j h VAL 2001N -0.83 0.45 -0.00 2.65 -1.51 -1.35 0.13 116.25 115.80 3h0j h VAL 2001Ca -0.13 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3h0j h VAL 2001Cb 1.25 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 3h0j h VAL 2001CO -0.01 0.04 -0.02 1.33 -1.23 0.00 0.00 177.57 177.68 3h0j n VAL 2002N -4.46 0.00 -0.79 7.19 0.24 -1.18 -3.70 118.33 115.63 3h0j n VAL 2002Ca 0.26 -0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.58 3h0j n VAL 2002Cb 1.05 -0.46 0.03 0.00 -1.47 0.00 0.00 33.84 33.00 3h0j n VAL 2002CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3h0j n VAL 2003N -1.30 0.81 -1.98 3.34 0.24 -0.01 -4.43 118.33 115.00 3h0j n VAL 2003Ca 0.13 -0.90 -0.39 0.00 -2.04 0.00 0.00 64.34 61.14 3h0j n VAL 2003Cb 0.26 0.45 0.01 0.00 -1.47 0.00 0.00 33.84 33.09 3h0j n VAL 2003CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3h0j s ASP 2004N -1.19 6.06 0.61 -1.34 2.15 -0.96 -4.90 116.67 117.09 3h0j s ASP 2004Ca 0.07 2.69 0.31 0.00 0.43 0.00 0.00 52.55 56.05 3h0j s ASP 2004Cb 0.06 -2.64 1.83 0.00 -0.30 0.00 0.00 42.92 41.87 3h0j s ASP 2004CO 0.01 -1.03 2.18 -0.65 -0.17 0.00 0.00 175.17 175.51 3h0j h PRO 2005N 2.36 0.00 0.00 4.34 0.11 -1.91 -2.51 132.00 134.39 3h0j h PRO 2005Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h0j h PRO 2005Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h0j h PRO 2005CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 3h0j n THR 2006N -3.66 0.00 0.09 -1.15 -2.24 -1.26 -2.54 114.28 103.51 3h0j n THR 2006Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3h0j n THR 2006Cb 0.21 -0.55 0.02 0.00 -2.10 0.00 0.00 70.33 67.91 3h0j n THR 2006CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3h0j h ILE 2007N 0.00 1.48 -1.69 2.28 2.04 -1.83 -3.38 117.51 116.41 3h0j h ILE 2007Ca 0.00 -2.50 -0.44 0.00 1.00 0.00 0.00 64.86 62.93 3h0j h ILE 2007Cb 0.00 2.37 -0.30 0.00 -0.74 0.00 0.00 36.82 38.15 3h0j h ILE 2007CO 0.00 0.73 -0.83 -3.20 0.00 0.00 0.00 178.15 174.85 3h0j n ASN 2008N -3.70 -1.36 -0.04 1.72 2.85 -1.05 -4.63 115.26 109.04 3h0j n ASN 2008Ca -0.03 -2.67 0.08 0.00 -0.11 0.00 0.00 54.58 51.84 3h0j n ASN 2008Cb 0.76 0.26 0.46 0.00 1.24 0.00 0.00 39.78 42.51 3h0j n ASN 2008CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h0j h ALA 2009N 4.96 1.85 0.00 5.20 0.00 -1.72 0.37 119.26 129.93 3h0j h ALA 2009Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3h0j h ALA 2009Cb 0.97 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3h0j h ALA 2009CO 0.30 0.07 -0.13 -0.44 0.00 0.00 0.00 179.25 179.05 3h0j h ASP 2010N 0.49 0.00 0.00 0.00 3.45 -1.95 -3.34 116.42 115.08 3h0j h ASP 2010Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 3h0j h ASP 2010Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3h0j h ASP 2010CO -0.06 0.13 -0.67 0.00 -1.57 0.00 0.00 179.24 177.07 3h0j n GLN 2011N -4.25 1.99 -3.44 3.56 1.13 -0.70 -5.00 117.38 110.67 3h0j n GLN 2011Ca -0.03 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.76 3h0j n GLN 2011Cb 0.20 -0.82 -0.03 0.00 0.11 0.00 0.00 30.24 29.71 3h0j n GLN 2011CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3h0j s MET 2012N -1.52 3.59 -0.15 -1.09 -1.94 0.12 -0.74 119.30 117.57 3h0j s MET 2012Ca 0.00 -0.12 -0.20 0.00 -1.71 0.00 0.00 55.69 53.66 3h0j s MET 2012Cb 0.00 -2.70 0.05 0.00 2.01 0.00 0.00 34.83 34.19 3h0j s MET 2012CO 0.00 0.26 0.53 -2.00 -0.01 0.00 0.00 175.02 173.80 3h0j s GLU 2013N -3.55 0.71 -0.00 2.03 2.12 -1.13 -4.82 118.70 114.06 3h0j s GLU 2013Ca 0.42 0.54 0.04 0.00 0.36 0.00 0.00 54.97 56.33 3h0j s GLU 2013Cb -0.11 0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 3h0j s GLU 2013CO 0.30 -0.13 -0.12 1.41 -0.54 0.00 0.00 175.26 176.18 3h0j s MET 2014N -0.18 0.96 0.05 4.30 -2.45 -1.26 -1.01 119.30 119.71 3h0j s MET 2014Ca -0.04 -0.47 0.04 0.00 -1.25 0.00 0.00 55.69 53.97 3h0j s MET 2014Cb -0.03 -0.93 -0.02 0.00 1.25 0.00 0.00 34.83 35.09 3h0j s MET 2014CO 0.03 0.25 -0.13 0.71 1.05 0.00 0.00 175.02 176.93 3h0j s TYR 2015N -0.37 1.09 -0.11 4.11 1.51 0.34 -0.71 117.35 123.21 3h0j s TYR 2015Ca 0.04 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3h0j s TYR 2015Cb -0.05 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.17 3h0j s TYR 2015CO -0.00 0.02 -0.21 0.00 -1.11 0.00 0.00 175.55 174.25 3h0j s ALA 2016N -1.06 2.04 0.58 3.71 0.00 -1.20 -0.96 121.76 124.87 3h0j s ALA 2016Ca -0.02 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 3h0j s ALA 2016Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3h0j s ALA 2016CO 0.01 0.12 1.17 0.34 0.00 0.00 0.00 175.76 177.40 3h0j s ASP 2017N 0.62 5.38 0.42 0.00 2.15 -0.45 -1.46 116.67 123.33 3h0j s ASP 2017Ca -0.13 2.26 0.10 0.00 0.43 0.00 0.00 52.55 55.21 3h0j s ASP 2017Cb -0.17 -2.59 0.92 0.00 -0.30 0.00 0.00 42.92 40.79 3h0j s ASP 2017CO 0.03 -1.45 2.03 -0.37 -0.17 0.00 0.00 175.17 175.24 3h0j h VAL 2018N 0.92 1.02 -0.62 1.11 -1.51 -1.51 -1.79 116.25 113.88 3h0j h VAL 2018Ca -0.50 -0.17 -0.26 0.00 -1.23 0.00 0.00 66.70 64.54 3h0j h VAL 2018Cb 1.28 0.48 -0.16 0.00 -2.13 0.00 0.00 31.29 30.76 3h0j h VAL 2018CO 0.56 0.09 0.33 0.59 -1.23 0.00 0.00 177.57 177.91 3h0j n ASN 2019N -4.48 3.76 -5.00 4.19 3.02 -1.26 -4.48 115.26 111.01 3h0j n ASN 2019Ca 0.06 -2.99 -0.20 0.00 -0.03 0.00 0.00 54.58 51.41 3h0j n ASN 2019Cb 0.18 -0.71 0.04 0.00 -0.61 0.00 0.00 39.78 38.68 3h0j n ASN 2019CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0j s ALA 2020N -2.29 4.60 0.00 5.41 0.00 -0.67 -0.60 121.76 128.21 3h0j s ALA 2020Ca 0.39 -1.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.38 3h0j s ALA 2020Cb 0.32 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 3h0j s ALA 2020CO 0.09 -0.66 0.10 1.03 0.00 0.00 0.00 175.76 176.32 3h0j s ARG 2021N -4.52 0.42 -0.15 0.00 1.81 -0.11 -4.41 118.95 112.01 3h0j s ARG 2021Ca 0.56 -0.40 -0.27 0.00 -1.72 0.00 0.00 55.73 53.90 3h0j s ARG 2021Cb -0.06 0.17 0.07 0.00 -0.45 0.00 0.00 34.95 34.68 3h0j s ARG 2021CO 0.35 -0.09 0.67 0.00 -0.68 0.00 0.00 175.30 175.54 3h0j s ALA 2022N -1.29 -1.71 0.00 2.13 0.00 -0.93 -2.27 121.76 117.70 3h0j s ALA 2022Ca -0.14 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3h0j s ALA 2022Cb -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3h0j s ALA 2022CO 0.01 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3h0j n GLY 2023N 1.76 1.27 0.40 0.00 0.00 -1.11 -4.31 105.19 103.20 3h0j n GLY 2023Ca -0.17 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 3h0j n GLY 2023CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h0j h VAL 2024N 0.35 0.22 -3.25 1.61 2.07 -1.93 -2.80 116.25 112.52 3h0j h VAL 2024Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h0j h VAL 2024Cb 0.00 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3h0j h VAL 2024CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 3h0j n LEU 2025N -5.48 0.00 -4.52 2.57 4.77 -1.26 -0.34 117.00 112.75 3h0j n LEU 2025Ca -0.10 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.63 3h0j n LEU 2025Cb 0.38 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 3h0j n LEU 2025CO 0.27 -0.11 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.20 3h0j s GLU 2026N 1.52 1.77 0.13 3.23 2.02 -1.26 -4.79 118.70 121.32 3h0j s GLU 2026Ca 0.00 -1.89 -0.33 0.00 0.02 0.00 0.00 54.97 52.77 3h0j s GLU 2026Cb 0.00 -1.71 -0.11 0.00 0.10 0.00 0.00 34.13 32.42 3h0j s GLU 2026CO 0.00 0.19 1.55 -1.35 0.02 0.00 0.00 175.26 175.67 3h0j h PRO 2027N 2.09 -0.42 -0.93 0.39 0.11 -1.92 0.35 132.00 131.67 3h0j h PRO 2027Ca -0.41 0.03 0.26 0.00 0.11 0.00 0.00 66.00 65.99 3h0j h PRO 2027Cb 1.25 0.10 -0.16 0.00 0.11 0.00 0.00 31.00 32.30 3h0j h PRO 2027CO 0.68 -0.28 0.17 1.96 -0.21 0.00 0.00 178.00 180.31 3h0j h GLN 2028N -0.43 0.10 0.29 1.05 1.08 -1.97 -0.32 115.11 114.90 3h0j h GLN 2028Ca 0.07 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3h0j h GLN 2028Cb 0.62 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3h0j h GLN 2028CO -0.56 0.06 -0.14 0.78 -0.95 0.00 0.00 178.83 178.02 3h0j h GLY 2029N 0.10 -0.40 -0.47 3.46 0.00 -1.34 -3.01 103.07 101.41 3h0j h GLY 2029Ca 0.59 0.15 0.25 0.00 0.00 0.00 0.00 47.33 48.32 3h0j h GLY 2029CO -0.78 -0.15 0.28 1.98 0.00 0.00 0.00 176.54 177.88 3h0j h MET 2030N -0.99 0.21 0.33 4.80 1.85 0.33 -0.68 114.93 120.79 3h0j h MET 2030Ca -0.04 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 3h0j h MET 2030Cb 0.47 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.44 3h0j h MET 2030CO 0.06 0.14 -0.24 0.28 -0.40 0.00 0.00 176.91 176.75 3h0j h VAL 2031N 0.22 0.49 0.00 -5.77 2.07 -1.14 -1.00 116.25 111.11 3h0j h VAL 2031Ca 0.58 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.10 3h0j h VAL 2031Cb 1.20 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3h0j h VAL 2031CO -0.65 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.55 3h0j n GLY 2032N -1.37 -0.16 0.00 2.17 0.00 -0.27 -0.47 105.19 105.09 3h0j n GLY 2032Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3h0j n GLY 2032CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h0j n ILE 2033N -0.56 0.00 -0.09 -0.61 5.41 -0.98 -4.84 119.36 117.69 3h0j n ILE 2033Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 3h0j n ILE 2033Cb 0.00 -0.30 0.01 0.00 -0.71 0.00 0.00 39.64 38.64 3h0j n ILE 2033CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3h0j n LYS 2034N -1.29 2.86 -2.75 0.38 4.01 -0.42 -4.75 118.16 116.20 3h0j n LYS 2034Ca 0.00 -1.60 -0.09 0.00 -0.51 0.00 0.00 58.31 56.11 3h0j n LYS 2034Cb 0.18 -1.05 0.07 0.00 -0.51 0.00 0.00 35.03 33.72 3h0j n LYS 2034CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3h0j n PHE 2035N -0.56 -1.24 -2.30 2.13 -0.00 0.38 -4.99 117.46 110.88 3h0j n PHE 2035Ca 0.02 -2.43 -0.31 0.00 -0.00 0.00 0.00 57.45 54.73 3h0j n PHE 2035Cb 0.29 0.83 -0.02 0.00 -0.00 0.00 0.00 39.48 40.57 3h0j n PHE 2035CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3h0j s ARG 2036N -1.01 3.79 0.00 -4.13 0.52 -1.23 -4.65 118.95 112.23 3h0j s ARG 2036Ca 0.26 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.24 3h0j s ARG 2036Cb 0.39 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.69 3h0j s ARG 2036CO -0.05 -0.33 0.00 0.54 0.02 0.00 0.00 175.30 175.48 3h0j n ARG 2037N -1.97 0.00 -0.37 3.54 5.12 -1.26 -0.60 116.66 121.13 3h0j n ARG 2037Ca 0.05 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.86 3h0j n ARG 2037Cb 0.54 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.74 3h0j n ARG 2037CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3h0j h GLU 2038N 0.00 -0.06 -0.76 5.56 4.81 -1.99 0.72 114.58 122.86 3h0j h GLU 2038Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.40 3h0j h GLU 2038Cb 0.00 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3h0j h GLU 2038CO 0.00 -0.04 0.51 -0.22 -0.73 0.00 0.00 179.01 178.53 3h0j h LYS 2039N -0.07 0.33 -0.04 1.92 3.64 -1.20 0.66 116.57 121.82 3h0j h LYS 2039Ca 0.14 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 3h0j h LYS 2039Cb 0.44 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3h0j h LYS 2039CO -0.88 0.22 -0.70 1.25 -2.27 0.00 0.00 179.45 177.07 3h0j h LEU 2040N 0.34 0.23 -0.30 5.20 5.85 0.55 -3.14 115.31 124.05 3h0j h LEU 2040Ca 0.37 -0.15 -0.20 0.00 0.84 0.00 0.00 57.88 58.74 3h0j h LEU 2040Cb 0.96 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3h0j h LEU 2040CO -0.11 0.86 -0.70 -0.07 -0.34 0.00 0.00 178.44 178.08 3h0j h LEU 2041N 0.13 0.78 -2.16 2.25 3.38 0.16 -2.36 115.31 117.50 3h0j h LEU 2041Ca -0.02 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.48 3h0j h LEU 2041Cb 1.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3h0j h LEU 2041CO 0.11 1.25 0.04 0.44 0.09 0.00 0.00 178.44 180.37 3h0j h ASP 2042N 0.47 0.00 1.14 -0.43 3.45 -1.25 0.46 116.42 120.25 3h0j h ASP 2042Ca -0.03 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.30 3h0j h ASP 2042Cb 1.30 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.05 3h0j h ASP 2042CO 0.14 0.00 -0.62 0.74 -1.57 0.00 0.00 179.24 177.93 3h0j h THR 2043N 0.00 1.15 0.00 0.35 2.02 -1.44 -3.04 112.91 111.95 3h0j h THR 2043Ca 0.02 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.82 3h0j h THR 2043Cb 0.09 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3h0j h THR 2043CO -0.00 0.61 0.24 0.24 0.37 0.00 0.00 175.52 176.97 3h0j h MET 2044N 0.00 0.00 -2.05 6.66 2.86 0.45 -2.35 114.93 120.50 3h0j h MET 2044Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3h0j h MET 2044Cb 1.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 3h0j h MET 2044CO 0.08 0.00 -0.06 0.27 1.06 0.00 0.00 176.91 178.26 3h0j n ASN 2045N -2.36 4.34 -0.26 1.22 2.04 -1.15 -2.18 115.26 116.90 3h0j n ASN 2045Ca -0.01 -2.19 0.06 0.00 -0.44 0.00 0.00 54.58 52.00 3h0j n ASN 2045Cb 0.27 -0.99 0.09 0.00 -2.53 0.00 0.00 39.78 36.62 3h0j n ASN 2045CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 3h0j n ARG 2046N 1.87 0.77 -2.86 -3.83 0.63 -0.88 -5.16 116.66 107.20 3h0j n ARG 2046Ca 0.10 -1.97 -0.02 0.00 -0.92 0.00 0.00 57.85 55.05 3h0j n ARG 2046Cb 0.50 -1.10 -0.01 0.00 0.45 0.00 0.00 32.46 32.30 3h0j n ARG 2046CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3h0j n LEU 2047N -0.86 -5.98 0.00 6.15 4.77 -0.93 -5.21 117.00 114.95 3h0j n LEU 2047Ca 0.10 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.44 3h0j n LEU 2047Cb 0.67 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 3h0j n LEU 2047CO 0.00 -2.98 0.00 -0.62 -1.33 0.00 0.00 177.39 172.46 3h0j n GLU 2081N 1.41 0.00 -0.32 3.23 -0.58 -1.26 -5.09 120.64 118.03 3h0j n GLU 2081Ca -0.11 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.72 3h0j n GLU 2081Cb 0.29 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.41 3h0j n GLU 2081CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3h0j n LEU 2082N 0.00 3.63 -0.37 -4.62 4.77 -1.26 -4.76 117.00 114.40 3h0j n LEU 2082Ca 0.00 -2.10 -0.12 0.00 -0.03 0.00 0.00 56.01 53.77 3h0j n LEU 2082Cb 0.00 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 3h0j n LEU 2082CO 0.00 0.85 0.48 -0.07 -1.33 0.00 0.00 177.39 177.33 3h0j h LEU 2083N 3.24 -2.11 -0.17 2.23 4.07 -2.02 -2.62 115.31 117.94 3h0j h LEU 2083Ca 0.00 0.31 0.01 0.00 0.08 0.00 0.00 57.88 58.29 3h0j h LEU 2083Cb 0.96 0.92 -0.02 0.00 1.08 0.00 0.00 40.66 43.60 3h0j h LEU 2083CO 0.04 -0.26 -0.10 -2.65 -1.08 0.00 0.00 178.44 174.38 3h0j n PRO 2084N -5.27 -0.07 0.10 1.13 -0.02 -1.26 0.13 135.00 129.74 3h0j n PRO 2084Ca 0.01 0.56 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 3h0j n PRO 2084Cb 0.28 -0.83 0.07 0.00 -0.02 0.00 0.00 33.50 33.00 3h0j n PRO 2084CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3h0j h ILE 2085N 0.00 1.50 0.00 4.25 6.09 -1.94 -2.87 117.51 124.54 3h0j h ILE 2085Ca 0.03 -2.44 0.00 0.00 -1.37 0.00 0.00 64.86 61.08 3h0j h ILE 2085Cb 0.07 2.32 0.00 0.00 0.47 0.00 0.00 36.82 39.67 3h0j h ILE 2085CO -0.16 0.70 0.00 1.88 -3.07 0.00 0.00 178.15 177.51 3h0j h TYR 2086N 0.05 0.00 0.18 2.19 -1.99 -0.48 -1.84 116.97 115.07 3h0j h TYR 2086Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 3h0j h TYR 2086Cb 1.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.03 3h0j h TYR 2086CO 0.01 0.00 -0.09 0.78 -0.00 0.00 0.00 178.16 178.86 3h0j h GLY 2087N 3.31 -0.26 0.20 3.88 0.00 0.13 -2.94 103.07 107.39 3h0j h GLY 2087Ca 0.00 0.10 0.21 0.00 0.00 0.00 0.00 47.33 47.63 3h0j h GLY 2087CO 0.00 -0.09 0.61 1.46 0.00 0.00 0.00 176.54 178.52 3h0j h GLN 2088N -0.95 0.50 -0.72 4.80 1.08 -1.36 -0.57 115.11 117.89 3h0j h GLN 2088Ca -0.03 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 3h0j h GLN 2088Cb 0.46 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 3h0j h GLN 2088CO 0.04 0.33 0.28 0.82 -0.95 0.00 0.00 178.83 179.35 3h0j h ILE 2089N 0.51 1.25 -0.35 2.54 2.04 -1.33 -0.03 117.51 122.13 3h0j h ILE 2089Ca 0.52 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 3h0j h ILE 2089Cb 1.13 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3h0j h ILE 2089CO -0.25 0.32 -0.34 0.77 0.00 0.00 0.00 178.15 178.65 3h0j h SER 2090N 1.04 0.91 0.58 1.72 4.64 -0.94 -0.72 113.55 120.78 3h0j h SER 2090Ca 0.24 -0.47 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3h0j h SER 2090Cb 0.23 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3h0j h SER 2090CO -0.02 1.19 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.78 3h0j h LEU 2091N 0.65 -0.66 -2.21 5.97 3.38 -1.22 0.96 115.31 122.17 3h0j h LEU 2091Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h0j h LEU 2091Cb 0.93 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3h0j h LEU 2091CO 0.09 -0.44 0.11 -0.61 0.09 0.00 0.00 178.44 177.67 3h0j h GLN 2092N -0.82 0.00 0.25 1.13 5.75 -0.98 0.19 115.11 120.62 3h0j h GLN 2092Ca -0.08 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3h0j h GLN 2092Cb 0.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 3h0j h GLN 2092CO 0.13 0.00 -0.12 0.35 -2.65 0.00 0.00 178.83 176.54 3h0j h PHE 2093N 0.00 -0.31 -0.38 3.99 3.57 0.51 -3.13 116.94 121.18 3h0j h PHE 2093Ca 0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3h0j h PHE 2093Cb 0.21 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 3h0j h PHE 2093CO 0.00 -0.19 -0.10 0.00 -2.23 0.00 0.00 178.31 175.78 3h0j h ALA 2094N -1.13 0.24 -0.31 2.41 0.00 0.25 -1.07 119.26 119.65 3h0j h ALA 2094Ca -0.03 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3h0j h ALA 2094Cb 0.26 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3h0j h ALA 2094CO 0.06 -0.46 0.39 0.22 0.00 0.00 0.00 179.25 179.46 3h0j h ASP 2095N -0.01 0.00 0.65 0.00 3.58 -0.80 0.95 116.42 120.80 3h0j h ASP 2095Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3h0j h ASP 2095Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 3h0j h ASP 2095CO -0.40 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.14 3h0j n LEU 2096N -3.58 0.09 0.07 2.28 4.77 -0.41 -2.32 117.00 117.90 3h0j n LEU 2096Ca 0.05 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.63 3h0j n LEU 2096Cb 0.54 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 3h0j n LEU 2096CO 0.25 -0.23 -0.18 1.41 -1.33 0.00 0.00 177.39 177.31 3h0j n HIS 2097N -1.60 0.83 -0.05 -1.77 8.25 0.33 -4.28 115.22 116.93 3h0j n HIS 2097Ca 0.04 0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.67 3h0j n HIS 2097Cb 0.22 -0.93 0.11 0.00 1.12 0.00 0.00 29.99 30.51 3h0j n HIS 2097CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h0j n ASP 2098N -2.68 3.36 -4.87 0.41 8.00 -0.98 -4.74 116.55 115.05 3h0j n ASP 2098Ca -0.04 -2.71 -0.32 0.00 0.71 0.00 0.00 54.79 52.44 3h0j n ASP 2098Cb 0.64 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 3h0j n ASP 2098CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3h0j s ARG 2099N -1.67 3.84 0.65 -1.24 1.81 -1.26 -2.18 118.95 118.89 3h0j s ARG 2099Ca 0.28 0.36 0.33 0.00 -1.72 0.00 0.00 55.73 54.98 3h0j s ARG 2099Cb 0.23 -2.59 1.80 0.00 -0.45 0.00 0.00 34.95 33.94 3h0j s ARG 2099CO 0.06 0.26 2.05 0.66 -0.68 0.00 0.00 175.30 177.65 3h0j h SER 2100N 2.39 0.00 0.25 0.23 4.64 -1.78 -0.19 113.55 119.08 3h0j h SER 2100Ca -0.47 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 3h0j h SER 2100Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3h0j h SER 2100CO 0.68 0.00 -0.62 0.28 -0.87 0.00 0.00 176.83 176.30 3h0j h SER 2101N 0.00 0.41 0.37 4.97 0.02 -1.92 -0.74 113.55 116.66 3h0j h SER 2101Ca 0.03 -0.24 -0.18 0.00 -0.84 0.00 0.00 61.79 60.56 3h0j h SER 2101Cb 0.53 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3h0j h SER 2101CO -0.00 0.92 -0.75 -0.09 -1.14 0.00 0.00 176.83 175.77 3h0j h ARG 2102N 0.26 0.31 -0.18 3.45 2.43 -1.33 -0.85 114.38 118.48 3h0j h ARG 2102Ca -0.01 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 3h0j h ARG 2102Cb 1.14 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3h0j h ARG 2102CO 0.10 0.93 0.04 0.52 -1.51 0.00 0.00 179.97 180.05 3h0j h MET 2103N 0.21 0.11 -0.70 0.20 2.86 -1.17 0.10 114.93 116.54 3h0j h MET 2103Ca -0.03 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3h0j h MET 2103Cb 1.33 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 3h0j h MET 2103CO 0.12 0.07 0.22 0.28 1.06 0.00 0.00 176.91 178.66 3h0j h VAL 2104N 0.11 1.25 -0.29 -2.22 2.07 -1.03 -1.61 116.25 114.53 3h0j h VAL 2104Ca 0.08 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3h0j h VAL 2104Cb 0.07 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3h0j h VAL 2104CO -0.10 0.34 0.12 0.00 0.02 0.00 0.00 177.57 177.95 3h0j h ALA 2105N 1.20 0.34 -0.16 1.67 0.00 -0.19 -1.17 119.26 120.95 3h0j h ALA 2105Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3h0j h ALA 2105Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h0j h ALA 2105CO -0.01 -0.28 0.00 1.63 0.00 0.00 0.00 179.25 180.60 3h0j n LYS 2106N -5.00 1.43 -3.60 0.00 4.76 0.26 -4.91 118.16 111.10 3h0j n LYS 2106Ca -0.01 -0.66 -0.27 0.00 -2.87 0.00 0.00 58.31 54.50 3h0j n LYS 2106Cb 0.09 -1.20 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3h0j n LYS 2106CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h0j n GLY 2107N 0.85 -0.51 0.03 0.72 0.00 -0.44 -4.87 105.19 100.97 3h0j n GLY 2107Ca 0.09 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.40 3h0j n GLY 2107CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h0j n VAL 2108N -4.59 0.00 -4.34 1.61 0.24 -0.67 -4.91 118.33 105.67 3h0j n VAL 2108Ca 0.00 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.34 62.11 3h0j n VAL 2108Cb 0.55 0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 33.14 3h0j n VAL 2108CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h0j s ILE 2109N -2.95 0.91 -0.08 1.34 -4.36 -1.25 -4.88 121.20 109.94 3h0j s ILE 2109Ca 0.12 -2.01 0.14 0.00 -0.26 0.00 0.00 60.65 58.64 3h0j s ILE 2109Cb 0.18 -2.48 -0.14 0.00 1.25 0.00 0.00 42.46 41.26 3h0j s ILE 2109CO 0.69 -0.19 0.92 0.28 0.24 0.00 0.00 174.94 176.88 3h0j h SER 2110N 2.40 0.00 -2.19 4.36 0.02 -1.27 -3.46 113.55 113.41 3h0j h SER 2110Ca -0.39 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.76 3h0j h SER 2110Cb 1.23 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.44 3h0j h SER 2110CO 0.64 0.73 0.89 -0.75 -1.14 0.00 0.00 176.83 177.21 3h0j s LYS 2111N -2.81 0.06 0.08 3.45 2.20 -1.26 -5.09 119.74 116.37 3h0j s LYS 2111Ca -0.02 0.07 -0.23 0.00 -0.36 0.00 0.00 55.97 55.43 3h0j s LYS 2111Cb 0.08 0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.37 3h0j s LYS 2111CO 0.81 -0.01 0.68 -1.83 -0.36 0.00 0.00 175.35 174.64 3h0j s GLU 2112N -0.03 4.40 0.19 4.03 -1.05 -1.26 -3.24 118.70 121.74 3h0j s GLU 2112Ca 0.08 0.93 0.09 0.00 -0.15 0.00 0.00 54.97 55.92 3h0j s GLU 2112Cb -0.05 -3.29 -0.04 0.00 -0.44 0.00 0.00 34.13 30.31 3h0j s GLU 2112CO -0.15 0.49 -0.19 -0.51 0.95 0.00 0.00 175.26 175.85 3h0j s LEU 2113N -0.73 2.47 -0.39 1.83 1.43 -0.54 -4.90 118.68 117.86 3h0j s LEU 2113Ca 0.33 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 3h0j s LEU 2113Cb -0.21 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.11 3h0j s LEU 2113CO 0.22 -0.01 0.31 -0.70 0.23 0.00 0.00 176.35 176.39 3h0j s GLU 2114N -2.96 3.19 0.39 1.70 -6.30 -1.26 -1.22 118.70 112.24 3h0j s GLU 2114Ca 0.19 -0.83 0.27 0.00 -2.50 0.00 0.00 54.97 52.11 3h0j s GLU 2114Cb -0.05 -3.91 1.35 0.00 0.00 0.00 0.00 34.13 31.51 3h0j s GLU 2114CO 0.08 -0.66 1.46 1.87 0.02 0.00 0.00 175.26 178.04 3h0j n TRP 2115N 5.22 0.79 0.23 5.30 -0.00 -1.26 -0.32 117.44 127.41 3h0j n TRP 2115Ca -0.11 0.80 0.10 0.00 -0.00 0.00 0.00 57.50 58.30 3h0j n TRP 2115Cb 0.48 -1.22 0.48 0.00 -0.00 0.00 0.00 31.31 31.05 3h0j n TRP 2115CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 3h0j h THR 2116N 0.00 0.53 0.00 5.87 1.35 -1.94 -2.84 112.91 115.87 3h0j h THR 2116Ca 0.81 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3h0j h THR 2116Cb 2.48 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.64 3h0j h THR 2116CO -0.53 0.20 -0.80 -0.62 -0.25 0.00 0.00 175.52 173.53 3h0j n GLU 2117N -3.39 0.17 -0.32 4.72 -0.58 0.57 -0.77 120.64 121.04 3h0j n GLU 2117Ca 0.00 0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.71 3h0j n GLU 2117Cb 0.41 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 3h0j n GLU 2117CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h0j n ALA 2118N -1.69 -0.29 -0.18 0.62 0.00 -1.07 -1.10 120.51 116.78 3h0j n ALA 2118Ca 0.03 0.74 -0.00 0.00 0.00 0.00 0.00 53.44 54.21 3h0j n ALA 2118Cb 0.40 -0.24 0.09 0.00 0.00 0.00 0.00 19.45 19.70 3h0j n ALA 2118CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h0j h ARG 2119N 0.00 0.21 -0.12 0.00 2.43 -1.81 0.65 114.38 115.74 3h0j h ARG 2119Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3h0j h ARG 2119Cb 0.40 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3h0j h ARG 2119CO -0.77 0.14 0.07 0.00 -1.51 0.00 0.00 179.97 177.90 3h0j h ARG 2120N 0.22 0.14 0.39 0.20 3.08 -1.30 -1.04 114.38 116.08 3h0j h ARG 2120Ca 0.29 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 3h0j h ARG 2120Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3h0j h ARG 2120CO -0.40 0.10 -0.19 0.35 -1.07 0.00 0.00 179.97 178.76 3h0j h PHE 2121N 0.15 -0.49 0.00 3.04 3.57 -0.91 -3.03 116.94 119.27 3h0j h PHE 2121Ca 0.04 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3h0j h PHE 2121Cb -0.01 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3h0j h PHE 2121CO -0.08 -0.29 -0.27 0.74 -2.23 0.00 0.00 178.31 176.19 3h0j h PHE 2122N -0.56 0.00 -0.55 0.41 0.05 -0.91 0.15 116.94 115.51 3h0j h PHE 2122Ca -0.05 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.70 3h0j h PHE 2122Cb 0.43 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.35 3h0j h PHE 2122CO -0.04 0.27 0.20 0.35 -0.18 0.00 0.00 178.31 178.91 3h0j h PHE 2123N 0.00 0.86 0.00 -0.55 3.57 -1.10 0.14 116.94 119.87 3h0j h PHE 2123Ca -0.00 -0.07 -0.21 0.00 3.53 0.00 0.00 57.97 61.21 3h0j h PHE 2123Cb 0.50 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3h0j h PHE 2123CO 0.00 0.72 -1.10 -1.49 -2.23 0.00 0.00 178.31 174.21 3h0j h TRP 2124N 0.76 0.00 -0.00 0.41 4.06 -1.38 -2.12 115.95 117.68 3h0j h TRP 2124Ca 0.18 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.13 3h0j h TRP 2124Cb 0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 3h0j h TRP 2124CO 0.01 0.94 -0.00 -0.09 -3.56 0.00 0.00 178.44 175.74 3h0j h ARG 2125N 0.00 0.01 0.01 0.49 9.65 -0.49 0.44 114.38 124.49 3h0j h ARG 2125Ca -0.07 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3h0j h ARG 2125Cb 1.77 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.35 3h0j h ARG 2125CO 0.11 0.31 -0.01 1.25 2.80 0.00 0.00 179.97 184.44 3h0j h LEU 2126N -0.30 -0.02 -1.17 3.80 5.85 -0.82 -0.85 115.31 121.80 3h0j h LEU 2126Ca 0.00 -0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.73 3h0j h LEU 2126Cb 0.31 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3h0j h LEU 2126CO 0.00 0.12 0.60 -0.09 -0.34 0.00 0.00 178.44 178.73 3h0j h ARG 2127N -0.15 0.78 -0.33 1.25 2.43 -1.35 -0.06 114.38 116.95 3h0j h ARG 2127Ca -0.00 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3h0j h ARG 2127Cb 0.14 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3h0j h ARG 2127CO 0.00 0.52 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.61 3h0j h ARG 2128N 0.80 0.76 -0.38 0.20 1.12 -0.42 -2.96 114.38 113.51 3h0j h ARG 2128Ca 0.47 -0.39 -0.12 0.00 -1.11 0.00 0.00 59.98 58.84 3h0j h ARG 2128Cb 0.65 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.60 3h0j h ARG 2128CO -0.24 1.01 -0.23 0.00 -3.11 0.00 0.00 179.97 177.40 3h0j h ARG 2129N 0.53 0.76 -0.87 0.20 2.47 -0.29 -2.24 114.38 114.94 3h0j h ARG 2129Ca 0.06 -0.31 0.01 0.00 -1.26 0.00 0.00 59.98 58.48 3h0j h ARG 2129Cb 0.85 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.09 3h0j h ARG 2129CO 0.07 0.92 0.57 -0.07 0.56 0.00 0.00 179.97 182.02 3h0j h LEU 2130N 0.66 0.98 -0.12 3.04 3.38 -1.01 0.23 115.31 122.48 3h0j h LEU 2130Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3h0j h LEU 2130Cb 0.74 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3h0j h LEU 2130CO 0.06 0.70 -0.01 0.78 0.09 0.00 0.00 178.44 180.07 3h0j h ASN 2131N 1.16 0.21 -0.70 -0.43 2.35 -1.39 -1.08 115.58 115.69 3h0j h ASN 2131Ca 0.32 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3h0j h ASN 2131Cb -0.11 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3h0j h ASN 2131CO -0.08 0.48 0.33 -0.33 -1.65 0.00 0.00 177.43 176.18 3h0j h GLU 2132N -0.07 1.02 -0.59 0.81 5.08 -1.05 -1.24 114.58 118.54 3h0j h GLU 2132Ca 0.03 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3h0j h GLU 2132Cb 0.38 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3h0j h GLU 2132CO 0.01 0.82 0.37 0.93 -1.00 0.00 0.00 179.01 180.14 3h0j h GLU 2133N 0.99 0.73 -0.56 2.33 4.39 -0.49 0.17 114.58 122.14 3h0j h GLU 2133Ca 0.24 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.99 3h0j h GLU 2133Cb 0.14 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.55 3h0j h GLU 2133CO -0.03 0.48 0.13 -0.92 -1.16 0.00 0.00 179.01 177.52 3h0j h TYR 2134N 0.75 0.22 -0.24 4.33 3.20 -0.48 -0.86 116.97 123.88 3h0j h TYR 2134Ca 0.23 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 3h0j h TYR 2134Cb -0.03 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3h0j h TYR 2134CO -0.04 0.00 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.15 3h0j h LEU 2135N 0.28 0.47 -1.01 2.82 3.38 -0.26 -2.84 115.31 118.15 3h0j h LEU 2135Ca 0.29 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3h0j h LEU 2135Cb 0.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3h0j h LEU 2135CO -0.35 0.72 -0.04 0.40 0.09 0.00 0.00 178.44 179.26 3h0j h ILE 2136N 0.41 1.23 -0.16 1.22 2.04 0.65 -2.39 117.51 120.51 3h0j h ILE 2136Ca 0.06 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 3h0j h ILE 2136Cb 0.67 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3h0j h ILE 2136CO 0.05 0.34 -0.08 0.11 0.00 0.00 0.00 178.15 178.57 3h0j h LYS 2137N 0.63 0.34 -0.14 2.37 1.57 -1.10 -1.66 116.57 118.58 3h0j h LYS 2137Ca 0.12 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3h0j h LYS 2137Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3h0j h LYS 2137CO 0.02 0.65 0.10 0.00 -0.57 0.00 0.00 179.45 179.65 3h0j h ARG 2138N 0.02 0.04 0.00 3.15 2.47 -1.41 0.33 114.38 118.99 3h0j h ARG 2138Ca 0.04 -0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 3h0j h ARG 2138Cb 0.55 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 3h0j h ARG 2138CO 0.02 0.03 -0.29 1.25 0.56 0.00 0.00 179.97 181.54 3h0j h LEU 2139N 0.04 0.00 -0.15 3.04 5.85 -1.17 -3.23 115.31 119.70 3h0j h LEU 2139Ca 0.06 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 3h0j h LEU 2139Cb 0.20 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.24 3h0j h LEU 2139CO -0.00 0.29 -0.63 0.28 -0.34 0.00 0.00 178.44 178.03 3h0j h SER 2140N 0.00 0.81 -0.46 1.25 0.02 0.60 -3.35 113.55 112.42 3h0j h SER 2140Ca -0.00 -0.62 0.05 0.00 -0.84 0.00 0.00 61.79 60.37 3h0j h SER 2140Cb 1.13 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.36 3h0j h SER 2140CO 0.04 1.30 -0.38 0.45 -1.14 0.00 0.00 176.83 177.10 3h0j h HIS 2141N 0.38 -1.18 -0.99 3.45 3.86 -1.35 -3.30 115.15 116.01 3h0j h HIS 2141Ca -0.04 0.07 -0.26 0.00 -1.16 0.00 0.00 60.37 58.98 3h0j h HIS 2141Cb 1.26 0.58 -0.02 0.00 1.06 0.00 0.00 27.41 30.29 3h0j h HIS 2141CO 0.10 -0.28 0.78 1.14 0.86 0.00 0.00 177.93 180.52 3h0j s GLN 2142N -4.68 2.13 0.18 2.45 -2.07 -1.26 -4.87 119.66 111.56 3h0j s GLN 2142Ca -0.09 0.49 -0.31 0.00 -1.82 0.00 0.00 55.36 53.63 3h0j s GLN 2142Cb 0.06 -4.75 -0.16 0.00 -1.09 0.00 0.00 33.01 27.07 3h0j s GLN 2142CO 0.40 -3.63 0.87 1.33 -1.32 0.00 0.00 175.29 172.94 3h0j n VAL 2143N 8.11 1.43 0.00 3.63 0.24 -1.25 -4.72 118.33 125.78 3h0j n VAL 2143Ca 0.38 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3h0j n VAL 2143Cb 0.48 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 3h0j n VAL 2143CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h0j n GLY 2144N 1.77 0.00 2.49 7.63 0.00 -1.26 -5.11 105.19 110.70 3h0j n GLY 2144Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 3h0j n GLY 2144CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h0j n GLU 2145N -0.01 -4.72 -3.73 1.61 -0.58 -1.26 -5.08 120.64 106.87 3h0j n GLU 2145Ca 0.00 3.52 -0.12 0.00 -0.42 0.00 0.00 57.16 60.13 3h0j n GLU 2145Cb 0.00 -4.89 -0.11 0.00 -0.57 0.00 0.00 31.44 25.87 3h0j n GLU 2145CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h0j s ALA 2146N -0.63 -0.92 0.65 0.62 0.00 -1.26 -5.15 121.76 115.07 3h0j s ALA 2146Ca -0.20 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.75 3h0j s ALA 2146Cb 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3h0j s ALA 2146CO 0.53 -0.20 0.99 -1.13 0.00 0.00 0.00 175.76 175.96 3h0j n SER 2147N 3.32 0.78 -0.34 0.00 3.41 -1.26 -4.69 113.62 114.84 3h0j n SER 2147Ca -0.16 0.76 0.19 0.00 -0.26 0.00 0.00 58.87 59.39 3h0j n SER 2147Cb 0.57 -1.41 0.42 0.00 -0.26 0.00 0.00 64.21 63.52 3h0j n SER 2147CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3h0j h ARG 2148N 0.22 0.53 -0.99 4.33 9.65 -2.01 0.52 114.38 126.63 3h0j h ARG 2148Ca -0.48 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.42 3h0j h ARG 2148Cb 1.35 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.75 3h0j h ARG 2148CO 0.50 0.35 0.64 1.25 2.80 0.00 0.00 179.97 185.51 3h0j h LEU 2149N 0.55 1.04 -0.25 3.80 7.12 -2.01 -2.36 115.31 123.19 3h0j h LEU 2149Ca 0.61 -0.00 -0.20 0.00 0.13 0.00 0.00 57.88 58.42 3h0j h LEU 2149Cb 1.26 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 3h0j h LEU 2149CO -0.39 0.69 -0.90 -0.33 -0.13 0.00 0.00 178.44 177.39 3h0j h GLU 2150N 1.19 0.13 -0.02 1.25 5.08 -0.32 -3.16 114.58 118.74 3h0j h GLU 2150Ca 0.41 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3h0j h GLU 2150Cb 0.10 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3h0j h GLU 2150CO -0.15 0.94 -0.02 0.87 -1.00 0.00 0.00 179.01 179.65 3h0j h LYS 2151N 0.07 0.05 -0.07 2.33 1.57 -0.77 -2.54 116.57 117.21 3h0j h LYS 2151Ca -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3h0j h LYS 2151Cb 1.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 3h0j h LYS 2151CO 0.13 0.50 -0.03 -0.84 -0.57 0.00 0.00 179.45 178.65 3h0j h ILE 2152N -0.39 1.07 0.02 1.86 3.07 -1.58 0.03 117.51 121.58 3h0j h ILE 2152Ca 0.00 -0.29 -0.00 0.00 1.55 0.00 0.00 64.86 66.12 3h0j h ILE 2152Cb 0.49 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 3h0j h ILE 2152CO 0.00 0.09 -0.01 0.00 -1.05 0.00 0.00 178.15 177.19 3h0j h ALA 2153N 1.87 -0.02 -0.15 0.16 0.00 -1.49 -0.23 119.26 119.40 3h0j h ALA 2153Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h0j h ALA 2153Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h0j h ALA 2153CO 0.00 -0.49 0.07 -0.09 0.00 0.00 0.00 179.25 178.74 3h0j h ARG 2154N -0.06 0.22 0.25 0.00 2.43 -0.89 -1.90 114.38 114.43 3h0j h ARG 2154Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3h0j h ARG 2154Cb 0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3h0j h ARG 2154CO 0.00 0.27 -0.37 0.82 -1.51 0.00 0.00 179.97 179.18 3h0j h ILE 2155N 0.11 0.00 -0.05 1.20 2.04 -0.83 -1.70 117.51 118.28 3h0j h ILE 2155Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3h0j h ILE 2155Cb 0.12 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 3h0j h ILE 2155CO -0.01 0.00 0.21 0.03 0.00 0.00 0.00 178.15 178.38 3h0j h ARG 2156N -0.65 0.00 0.00 2.37 3.08 -1.04 0.49 114.38 118.62 3h0j h ARG 2156Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h0j h ARG 2156Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3h0j h ARG 2156CO -0.11 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.66 3h0j n SER 2157N -3.13 0.18 0.02 7.04 3.41 -0.65 -2.00 113.62 118.48 3h0j n SER 2157Ca -0.01 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 3h0j n SER 2157Cb 0.28 -0.57 0.23 0.00 -0.26 0.00 0.00 64.21 63.89 3h0j n SER 2157CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h0j n TRP 2158N -1.68 0.18 -2.12 7.33 8.01 0.17 -4.88 117.44 124.45 3h0j n TRP 2158Ca 0.05 0.05 -0.37 0.00 -1.31 0.00 0.00 57.50 55.92 3h0j n TRP 2158Cb 0.26 -0.39 0.01 0.00 -2.01 0.00 0.00 31.31 29.18 3h0j n TRP 2158CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3h0j s TYR 2159N -3.06 2.65 0.36 -5.99 4.12 -0.85 -4.93 117.35 109.65 3h0j s TYR 2159Ca 0.09 1.50 -0.28 0.00 0.02 0.00 0.00 57.07 58.41 3h0j s TYR 2159Cb 0.16 -3.47 -0.10 0.00 -1.52 0.00 0.00 41.96 37.04 3h0j s TYR 2159CO 0.70 -1.91 1.31 -1.25 0.02 0.00 0.00 175.55 174.43 3h0j s PRO 2160N -2.93 4.20 0.58 -1.71 0.04 -1.26 -4.84 135.00 129.07 3h0j s PRO 2160Ca 0.69 2.20 0.37 0.00 0.04 0.00 0.00 61.00 64.29 3h0j s PRO 2160Cb -0.31 -2.94 1.38 0.00 0.04 0.00 0.00 34.50 32.67 3h0j s PRO 2160CO 0.36 -0.32 1.56 0.00 0.04 0.00 0.00 177.00 178.64 3h0j h ALA 2161N 3.09 3.19 0.00 8.56 0.00 -1.93 0.29 119.26 132.46 3h0j h ALA 2161Ca -0.49 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 3h0j h ALA 2161Cb 1.23 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3h0j h ALA 2161CO 0.64 -1.79 -0.37 0.77 0.00 0.00 0.00 179.25 178.50 3h0j h SER 2162N 0.00 0.00 -3.05 0.00 0.02 -2.03 -3.45 113.55 105.04 3h0j h SER 2162Ca 0.61 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 61.04 3h0j h SER 2162Cb 2.85 0.00 0.03 0.00 0.14 0.00 0.00 62.40 65.42 3h0j h SER 2162CO -0.01 0.37 0.72 -0.69 -1.14 0.00 0.00 176.83 176.09 3h0j s VAL 2163N -3.12 3.26 -0.52 2.27 1.01 0.10 -4.97 120.40 118.44 3h0j s VAL 2163Ca 0.04 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.73 3h0j s VAL 2163Cb 0.08 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.91 3h0j s VAL 2163CO 0.71 0.08 0.74 -0.62 0.00 0.00 0.00 175.10 176.01 3h0j s ASP 2164N 1.00 6.27 0.55 3.32 2.15 -1.26 -4.91 116.67 123.79 3h0j s ASP 2164Ca 0.64 -0.66 0.37 0.00 0.43 0.00 0.00 52.55 53.33 3h0j s ASP 2164Cb -0.37 -2.34 1.53 0.00 -0.30 0.00 0.00 42.92 41.43 3h0j s ASP 2164CO 0.31 -1.00 1.75 0.45 -0.17 0.00 0.00 175.17 176.52 3h0j h HIS 2165N 9.09 0.00 0.00 -5.34 3.86 -1.96 0.49 115.15 121.29 3h0j h HIS 2165Ca -0.27 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.91 3h0j h HIS 2165Cb 1.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 3h0j h HIS 2165CO 0.81 0.00 -0.16 0.93 0.86 0.00 0.00 177.93 180.36 3h0j h GLU 2166N 0.00 0.00 -5.67 2.45 4.39 -2.03 -3.42 114.58 110.31 3h0j h GLU 2166Ca 0.57 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.65 3h0j h GLU 2166Cb 2.38 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.90 3h0j h GLU 2166CO -0.01 0.16 0.50 0.34 -1.16 0.00 0.00 179.01 178.85 3h0j s ASP 2167N -6.07 6.29 0.09 1.42 3.68 0.17 -4.94 116.67 117.30 3h0j s ASP 2167Ca 0.00 -0.55 -0.33 0.00 2.13 0.00 0.00 52.55 53.81 3h0j s ASP 2167Cb 0.10 -2.42 -0.15 0.00 -1.45 0.00 0.00 42.92 39.00 3h0j s ASP 2167CO 0.61 -1.23 1.61 0.44 0.13 0.00 0.00 175.17 176.72 3h0j h ASP 2168N 9.33 -0.99 -0.92 -0.34 3.45 -1.84 -0.33 116.42 124.78 3h0j h ASP 2168Ca -0.27 0.07 0.06 0.00 0.43 0.00 0.00 57.03 57.32 3h0j h ASP 2168Cb 1.08 0.31 -0.06 0.00 -0.56 0.00 0.00 39.33 40.10 3h0j h ASP 2168CO 1.09 -0.55 0.60 -0.09 -1.57 0.00 0.00 179.24 178.72 3h0j h ARG 2169N -0.85 1.03 -0.02 3.56 2.43 -1.92 0.14 114.38 118.74 3h0j h ARG 2169Ca -0.05 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3h0j h ARG 2169Cb 0.73 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3h0j h ARG 2169CO 0.00 0.68 -0.00 0.37 -1.51 0.00 0.00 179.97 179.51 3h0j h GLN 2170N 1.06 0.04 -0.79 0.20 4.15 -1.89 -0.48 115.11 117.41 3h0j h GLN 2170Ca 0.39 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.83 3h0j h GLN 2170Cb 0.17 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3h0j h GLN 2170CO -0.14 0.39 0.51 0.28 -1.93 0.00 0.00 178.83 177.94 3h0j h VAL 2171N -0.32 1.12 -0.27 2.39 2.07 -0.49 -0.42 116.25 120.34 3h0j h VAL 2171Ca 0.01 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3h0j h VAL 2171Cb 0.38 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3h0j h VAL 2171CO 0.00 0.18 -0.04 0.00 0.02 0.00 0.00 177.57 177.73 3h0j h ALA 2172N 1.33 0.37 -0.51 1.67 0.00 -0.71 -2.35 119.26 119.07 3h0j h ALA 2172Ca 0.31 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h0j h ALA 2172Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3h0j h ALA 2172CO -0.11 0.16 0.27 1.15 0.00 0.00 0.00 179.25 180.71 3h0j h THR 2173N 0.27 0.98 -0.39 0.00 2.02 -0.60 -1.66 112.91 113.53 3h0j h THR 2173Ca 0.07 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3h0j h THR 2173Cb 0.50 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3h0j h THR 2173CO 0.02 0.10 0.12 -0.25 0.37 0.00 0.00 175.52 175.88 3h0j h TRP 2174N 0.53 0.63 0.69 3.16 7.01 -1.06 -2.18 115.95 124.72 3h0j h TRP 2174Ca 0.22 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 3h0j h TRP 2174Cb 0.10 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 3h0j h TRP 2174CO -0.09 0.59 -0.41 0.82 -2.79 0.00 0.00 178.44 176.56 3h0j h ILE 2175N 0.49 0.18 -0.04 2.65 2.04 -0.98 -1.82 117.51 120.02 3h0j h ILE 2175Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 3h0j h ILE 2175Cb 0.25 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3h0j h ILE 2175CO -0.00 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.87 3h0j h GLU 2176N -1.03 0.00 -0.00 2.37 5.08 -1.36 0.47 114.58 120.12 3h0j h GLU 2176Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3h0j h GLU 2176Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3h0j h GLU 2176CO 0.10 0.00 -0.00 -1.91 -1.00 0.00 0.00 179.01 176.20 3h0j n GLU 2177N -3.71 0.23 -0.30 2.33 2.13 -0.82 -3.99 120.64 116.52 3h0j n GLU 2177Ca -0.02 -0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.81 3h0j n GLU 2177Cb 0.14 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.37 3h0j n GLU 2177CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3h0j n ASN 2178N -1.38 0.42 -0.31 4.31 3.02 0.16 -4.92 115.26 116.55 3h0j n ASN 2178Ca 0.11 -1.91 0.02 0.00 -0.03 0.00 0.00 54.58 52.77 3h0j n ASN 2178Cb 0.29 -0.17 0.08 0.00 -0.61 0.00 0.00 39.78 39.37 3h0j n ASN 2178CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3h0j h TYR 2179N 0.00 -0.65 -0.27 3.10 0.99 -1.44 0.29 116.97 118.99 3h0j h TYR 2179Ca 0.00 0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.69 3h0j h TYR 2179Cb 1.20 0.42 -0.01 0.00 1.00 0.00 0.00 36.73 39.34 3h0j h TYR 2179CO 0.06 -0.38 -0.34 0.87 -0.00 0.00 0.00 178.16 178.37 3h0j h LYS 2180N -0.02 0.60 -0.51 4.88 1.57 -1.91 0.46 116.57 121.64 3h0j h LYS 2180Ca 0.38 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3h0j h LYS 2180Cb 0.62 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3h0j h LYS 2180CO -0.89 0.85 0.08 1.15 -0.57 0.00 0.00 179.45 180.07 3h0j h THR 2181N 0.50 1.23 -0.13 -0.16 2.02 -1.16 -0.59 112.91 114.63 3h0j h THR 2181Ca 0.06 -0.88 -0.20 0.00 0.77 0.00 0.00 66.41 66.16 3h0j h THR 2181Cb 0.83 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3h0j h THR 2181CO 0.07 0.32 -0.70 -0.07 0.37 0.00 0.00 175.52 175.50 3h0j h LEU 2182N 0.76 0.84 -1.35 2.58 3.38 -0.21 -2.79 115.31 118.52 3h0j h LEU 2182Ca 0.16 -0.64 0.12 0.00 0.09 0.00 0.00 57.88 57.61 3h0j h LEU 2182Cb 0.35 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3h0j h LEU 2182CO 0.01 1.35 0.54 -0.78 0.09 0.00 0.00 178.44 179.64 3h0j h ASP 2183N 0.38 0.63 0.07 -0.43 3.58 0.39 0.13 116.42 121.18 3h0j h ASP 2183Ca -0.05 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 3h0j h ASP 2183Cb 1.34 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.29 3h0j h ASP 2183CO 0.14 0.35 -0.03 0.44 -2.88 0.00 0.00 179.24 177.26 3h0j h ASP 2184N 0.68 -0.08 -1.19 2.28 3.45 -0.99 -2.19 116.42 118.38 3h0j h ASP 2184Ca 0.40 0.00 0.41 0.00 0.43 0.00 0.00 57.03 58.26 3h0j h ASP 2184Cb 0.59 0.02 -0.14 0.00 -0.56 0.00 0.00 39.33 39.24 3h0j h ASP 2184CO -0.16 -0.05 0.73 0.50 -1.57 0.00 0.00 179.24 178.69 3h0j h LYS 2185N -0.11 0.12 0.59 3.56 3.64 -1.21 0.53 116.57 123.68 3h0j h LYS 2185Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3h0j h LYS 2185Cb 0.07 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3h0j h LYS 2185CO 0.02 0.08 -0.28 -0.07 -2.27 0.00 0.00 179.45 176.92 3h0j h LEU 2186N 0.12 -0.67 -2.58 5.20 4.07 -0.94 -2.56 115.31 117.97 3h0j h LEU 2186Ca 0.80 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.80 3h0j h LEU 2186Cb 2.31 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 44.22 3h0j h LEU 2186CO -0.52 -0.45 0.10 0.11 -1.08 0.00 0.00 178.44 176.59 3h0j h LYS 2187N -0.84 0.00 0.00 1.13 1.57 -0.23 0.16 116.57 118.36 3h0j h LYS 2187Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3h0j h LYS 2187Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3h0j h LYS 2187CO 0.13 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 3h0j n GLY 2188N -1.21 -0.26 0.00 3.86 0.00 0.16 -5.09 105.19 102.64 3h0j n GLY 2188Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3h0j n GLY 2188CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36