#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8x s ARG 1481N 0.00 2.32 -0.29 1.96 1.70 -1.26 -5.10 118.95 118.27 3k8x s ARG 1481Ca 0.00 -1.84 -0.29 0.00 -0.47 0.00 0.00 55.73 53.13 3k8x s ARG 1481Cb 0.00 -2.11 -0.01 0.00 -0.57 0.00 0.00 34.95 32.26 3k8x s ARG 1481CO 0.00 -0.32 1.51 -1.25 -1.08 0.00 0.00 175.30 174.16 3k8x s PRO 1482N -4.09 3.74 0.08 3.89 0.04 -1.26 -5.02 135.00 132.37 3k8x s PRO 1482Ca 0.39 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.89 3k8x s PRO 1482Cb -0.00 -4.01 -0.22 0.00 0.04 0.00 0.00 34.50 30.31 3k8x s PRO 1482CO 0.23 -1.36 1.11 -0.84 0.04 0.00 0.00 177.00 176.18 3k8x h ILE 1483N 6.23 1.48 -1.64 0.56 -2.65 -2.03 -3.39 117.51 116.06 3k8x h ILE 1483Ca -0.30 -3.23 -0.52 0.00 1.03 0.00 0.00 64.86 61.85 3k8x h ILE 1483Cb 1.13 2.74 -0.41 0.00 -2.05 0.00 0.00 36.82 38.23 3k8x h ILE 1483CO 1.03 0.85 -0.90 0.00 0.03 0.00 0.00 178.15 179.16 3k8x n ALA 1484N -2.41 4.10 -2.07 0.16 0.00 -1.26 -5.06 120.51 113.97 3k8x n ALA 1484Ca -0.05 -3.98 -0.33 0.00 0.00 0.00 0.00 53.44 49.09 3k8x n ALA 1484Cb 0.97 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 3k8x n ALA 1484CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k8x s THR 1485N -4.21 4.61 0.40 0.00 -4.23 -1.26 -4.97 115.64 105.97 3k8x s THR 1485Ca 0.42 1.08 0.17 0.00 -1.18 0.00 0.00 61.69 62.18 3k8x s THR 1485Cb 0.38 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.77 3k8x s THR 1485CO -0.10 -0.19 1.94 1.55 -0.54 0.00 0.00 174.62 177.27 3k8x h PRO 1486N 2.25 0.00 -5.28 3.99 0.13 -1.99 -3.45 132.00 127.66 3k8x h PRO 1486Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 3k8x h PRO 1486Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 3k8x h PRO 1486CO 0.64 0.24 -0.63 0.71 -0.23 0.00 0.00 178.00 178.74 3k8x s TYR 1487N -4.32 1.90 0.52 1.56 1.51 -1.26 -5.13 117.35 112.13 3k8x s TYR 1487Ca -0.03 -0.88 -0.22 0.00 -1.01 0.00 0.00 57.07 54.92 3k8x s TYR 1487Cb 0.14 -1.18 -0.06 0.00 -0.11 0.00 0.00 41.96 40.75 3k8x s TYR 1487CO 0.68 0.07 1.25 -2.30 -1.11 0.00 0.00 175.55 174.14 3k8x n PRO 1488N -0.62 1.59 -2.61 -1.71 -0.02 -1.26 -4.90 135.00 125.47 3k8x n PRO 1488Ca -0.04 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3k8x n PRO 1488Cb 0.65 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 3k8x n PRO 1488CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k8x s VAL 1489N -1.30 3.87 0.27 -1.45 1.01 -1.26 -4.89 120.40 116.64 3k8x s VAL 1489Ca 0.69 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.76 3k8x s VAL 1489Cb -0.45 -4.89 0.26 0.00 0.00 0.00 0.00 36.38 31.30 3k8x s VAL 1489CO 0.51 -1.79 1.70 0.11 0.00 0.00 0.00 175.10 175.63 3k8x h LYS 1490N 9.90 0.37 0.00 2.72 6.56 -1.96 -0.37 116.57 133.79 3k8x h LYS 1490Ca -0.21 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 3k8x h LYS 1490Cb 1.05 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 3k8x h LYS 1490CO 1.28 0.25 0.00 0.39 -2.06 0.00 0.00 179.45 179.30 3k8x n GLU 1491N -5.06 0.01 -0.12 3.15 1.02 -1.26 -1.83 120.64 116.54 3k8x n GLU 1491Ca 0.18 0.26 -0.18 0.00 -0.02 0.00 0.00 57.16 57.41 3k8x n GLU 1491Cb 0.54 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 30.32 3k8x n GLU 1491CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3k8x n TRP 1492N -1.55 0.00 0.00 -0.32 -0.00 -0.26 -3.66 117.44 111.66 3k8x n TRP 1492Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.62 3k8x n TRP 1492Cb 0.17 -0.95 0.50 0.00 -0.00 0.00 0.00 31.31 31.04 3k8x n TRP 1492CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3k8x h LEU 1493N -0.05 0.33 -6.65 5.87 3.38 -1.17 -3.34 115.31 113.68 3k8x h LEU 1493Ca -0.56 -0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.84 3k8x h LEU 1493Cb 1.84 -0.07 -0.39 0.00 0.09 0.00 0.00 40.66 42.12 3k8x h LEU 1493CO -0.10 0.22 -0.83 -1.58 0.09 0.00 0.00 178.44 176.24 3k8x s GLN 1494N -5.36 0.54 0.65 1.13 2.00 -0.76 -5.02 119.66 112.84 3k8x s GLN 1494Ca -0.07 -1.25 0.43 0.00 -2.00 0.00 0.00 55.36 52.46 3k8x s GLN 1494Cb 0.18 -1.35 2.29 0.00 0.80 0.00 0.00 33.01 34.93 3k8x s GLN 1494CO 0.73 -1.18 2.33 -1.35 -0.50 0.00 0.00 175.29 175.32 3k8x h PRO 1495N 7.21 0.00 -0.56 1.67 0.11 -1.70 -1.57 132.00 137.16 3k8x h PRO 1495Ca 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3k8x h PRO 1495Cb 0.97 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3k8x h PRO 1495CO 0.30 0.00 0.26 0.87 -0.21 0.00 0.00 178.00 179.22 3k8x h LYS 1496N 0.00 0.78 -0.72 1.05 1.57 -1.94 -1.37 116.57 115.94 3k8x h LYS 1496Ca -0.00 -0.10 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3k8x h LYS 1496Cb 0.06 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 3k8x h LYS 1496CO 0.00 0.62 0.38 -0.09 -0.57 0.00 0.00 179.45 179.79 3k8x h ARG 1497N 0.78 0.63 -0.34 3.15 2.43 -1.61 -0.05 114.38 119.39 3k8x h ARG 1497Ca 0.19 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 3k8x h ARG 1497Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3k8x h ARG 1497CO -0.02 0.42 -0.40 -0.92 -1.51 0.00 0.00 179.97 177.54 3k8x h TYR 1498N 0.65 0.98 -0.55 2.20 -0.00 -1.53 -2.14 116.97 116.58 3k8x h TYR 1498Ca 0.35 -0.29 0.05 0.00 -0.00 0.00 0.00 58.73 58.84 3k8x h TYR 1498Cb 0.33 -0.21 -0.05 0.00 -0.00 0.00 0.00 36.73 36.80 3k8x h TYR 1498CO -0.09 1.08 0.29 -0.22 -0.00 0.00 0.00 178.16 179.21 3k8x h LYS 1499N 0.66 0.53 -0.40 1.82 1.63 -0.61 0.10 116.57 120.31 3k8x h LYS 1499Ca 0.05 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3k8x h LYS 1499Cb 0.96 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.45 3k8x h LYS 1499CO 0.09 0.35 0.25 0.00 -3.45 0.00 0.00 179.45 176.69 3k8x h ALA 1500N 1.30 0.50 -0.97 5.00 0.00 -0.83 -2.36 119.26 121.90 3k8x h ALA 1500Ca 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3k8x h ALA 1500Cb 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3k8x h ALA 1500CO -0.17 -0.07 0.63 0.45 0.00 0.00 0.00 179.25 180.10 3k8x h HIS 1501N 0.51 1.23 -0.03 0.00 3.86 -0.78 -0.43 115.15 119.52 3k8x h HIS 1501Ca 0.15 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3k8x h HIS 1501Cb -0.04 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.02 3k8x h HIS 1501CO -0.06 0.78 -0.05 -0.07 0.86 0.00 0.00 177.93 179.40 3k8x h LEU 1502N 1.32 0.03 -0.67 2.43 3.38 -0.37 -0.77 115.31 120.66 3k8x h LEU 1502Ca 0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3k8x h LEU 1502Cb -0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3k8x h LEU 1502CO -0.07 0.09 0.00 0.23 0.09 0.00 0.00 178.44 178.77 3k8x n MET 1503N -4.46 1.44 -1.78 1.13 2.81 -0.21 -4.91 117.12 111.14 3k8x n MET 1503Ca -0.02 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.20 3k8x n MET 1503Cb 0.14 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3k8x n MET 1503CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k8x n GLY 1504N 0.92 0.64 3.20 3.03 0.00 -0.29 -4.92 105.19 107.76 3k8x n GLY 1504Ca 0.12 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 3k8x n GLY 1504CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k8x s THR 1505N -2.11 0.14 0.30 2.61 -1.32 -1.05 -4.82 115.64 109.39 3k8x s THR 1505Ca 0.00 -1.30 -0.29 0.00 -1.21 0.00 0.00 61.69 58.89 3k8x s THR 1505Cb 0.00 -1.43 -0.10 0.00 -1.51 0.00 0.00 72.50 69.46 3k8x s THR 1505CO 0.00 -0.66 1.28 -0.89 -2.21 0.00 0.00 174.62 172.14 3k8x s THR 1506N -3.88 2.90 0.22 5.08 2.01 -1.26 -3.16 115.64 117.55 3k8x s THR 1506Ca 0.07 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 3k8x s THR 1506Cb 0.05 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 3k8x s THR 1506CO -0.09 0.19 1.34 -0.47 -0.69 0.00 0.00 174.62 174.90 3k8x s TYR 1507N -0.90 3.19 0.35 4.92 6.04 -1.26 -4.90 117.35 124.79 3k8x s TYR 1507Ca 0.50 1.20 0.08 0.00 0.04 0.00 0.00 57.07 58.88 3k8x s TYR 1507Cb -0.38 -3.66 0.78 0.00 -1.04 0.00 0.00 41.96 37.66 3k8x s TYR 1507CO 0.48 -2.05 1.89 -0.24 -1.54 0.00 0.00 175.55 174.10 3k8x h VAL 1508N 3.63 0.89 0.00 3.14 3.04 -1.95 0.47 116.25 125.47 3k8x h VAL 1508Ca -0.45 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 3k8x h VAL 1508Cb 1.22 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 3k8x h VAL 1508CO 0.76 0.13 0.00 -1.22 -1.01 0.00 0.00 177.57 176.24 3k8x n TYR 1509N -4.54 0.00 1.19 3.17 4.02 -1.26 -2.31 117.16 117.43 3k8x n TYR 1509Ca 0.16 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.17 3k8x n TYR 1509Cb 0.40 -0.35 0.29 0.00 -0.02 0.00 0.00 39.34 39.66 3k8x n TYR 1509CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3k8x n ASP 1510N -1.35 1.29 -0.21 7.72 10.43 0.16 -4.43 116.55 130.17 3k8x n ASP 1510Ca 0.10 -1.07 -0.08 0.00 2.57 0.00 0.00 54.79 56.31 3k8x n ASP 1510Cb 0.22 0.22 0.03 0.00 1.84 0.00 0.00 41.12 43.42 3k8x n ASP 1510CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3k8x h PHE 1511N 1.56 0.93 -0.80 1.24 -1.00 -1.40 -2.86 116.94 114.61 3k8x h PHE 1511Ca 0.00 -0.09 0.09 0.00 2.81 0.00 0.00 57.97 60.78 3k8x h PHE 1511Cb 0.57 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.80 3k8x h PHE 1511CO 0.00 0.76 0.52 -1.35 -1.61 0.00 0.00 178.31 176.64 3k8x h PRO 1512N 0.83 0.74 -0.70 1.51 0.11 -1.80 0.07 132.00 132.77 3k8x h PRO 1512Ca 0.19 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3k8x h PRO 1512Cb 0.25 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 3k8x h PRO 1512CO -0.01 0.49 0.36 1.49 -0.21 0.00 0.00 178.00 180.12 3k8x h GLU 1513N 0.76 0.97 -0.87 1.05 4.57 -1.81 0.86 114.58 120.11 3k8x h GLU 1513Ca 0.36 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3k8x h GLU 1513Cb 0.40 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3k8x h GLU 1513CO -0.14 0.73 0.53 -0.07 -1.18 0.00 0.00 179.01 178.89 3k8x h LEU 1514N 0.98 1.04 -0.73 1.64 3.38 -0.79 -0.47 115.31 120.36 3k8x h LEU 1514Ca 0.24 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 3k8x h LEU 1514Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3k8x h LEU 1514CO -0.04 0.79 -0.40 -0.26 0.09 0.00 0.00 178.44 178.63 3k8x h PHE 1515N 1.20 0.60 -0.05 1.13 -1.00 -0.50 0.17 116.94 118.49 3k8x h PHE 1515Ca 0.31 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 3k8x h PHE 1515Cb -0.06 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.36 3k8x h PHE 1515CO 0.00 0.83 0.03 -0.09 -1.61 0.00 0.00 178.31 177.47 3k8x h ARG 1516N 0.42 0.07 -0.17 1.51 2.43 -0.47 -1.46 114.38 116.71 3k8x h ARG 1516Ca 0.04 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3k8x h ARG 1516Cb 0.88 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 3k8x h ARG 1516CO 0.07 0.10 -0.08 1.96 -1.51 0.00 0.00 179.97 180.51 3k8x h GLN 1517N 0.02 -0.06 -0.47 0.20 4.20 -0.87 -1.01 115.11 117.11 3k8x h GLN 1517Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3k8x h GLN 1517Cb 0.05 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3k8x h GLN 1517CO -0.00 -0.04 0.26 0.00 -0.67 0.00 0.00 178.83 178.38 3k8x h ALA 1518N 1.09 1.57 0.10 3.87 0.00 -0.93 -1.61 119.26 123.35 3k8x h ALA 1518Ca 0.09 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 3k8x h ALA 1518Cb 0.20 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k8x h ALA 1518CO -0.21 0.36 -1.17 0.77 0.00 0.00 0.00 179.25 179.00 3k8x h SER 1519N 0.65 0.56 -0.52 0.00 0.02 -0.85 -1.99 113.55 111.42 3k8x h SER 1519Ca 0.17 -0.54 0.03 0.00 -0.84 0.00 0.00 61.79 60.61 3k8x h SER 1519Cb 0.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3k8x h SER 1519CO -0.03 1.38 0.30 -1.28 -1.14 0.00 0.00 176.83 176.07 3k8x h SER 1520N 0.16 0.48 -0.87 3.07 0.87 -1.05 -2.40 113.55 113.82 3k8x h SER 1520Ca -0.14 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3k8x h SER 1520Cb 1.86 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.68 3k8x h SER 1520CO 0.20 0.34 0.52 0.28 -0.53 0.00 0.00 176.83 177.64 3k8x h SER 1521N 0.60 1.05 0.29 6.23 0.02 -1.17 -1.54 113.55 119.03 3k8x h SER 1521Ca 0.21 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3k8x h SER 1521Cb 0.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3k8x h SER 1521CO -0.10 0.81 -0.40 0.06 -1.14 0.00 0.00 176.83 176.06 3k8x h GLN 1522N 1.20 0.16 -0.43 3.45 3.07 -1.15 0.54 115.11 121.96 3k8x h GLN 1522Ca 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 58.65 58.97 3k8x h GLN 1522Cb -0.04 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.50 3k8x h GLN 1522CO -0.06 0.54 0.22 -1.49 0.09 0.00 0.00 178.83 178.13 3k8x h TRP 1523N 0.13 0.60 -0.65 0.06 4.06 -0.80 -2.38 115.95 116.97 3k8x h TRP 1523Ca 0.01 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 3k8x h TRP 1523Cb 0.77 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.71 3k8x h TRP 1523CO 0.01 0.48 0.18 0.87 -3.56 0.00 0.00 178.44 176.42 3k8x h LYS 1524N 0.55 1.03 0.00 0.49 6.56 -0.73 0.11 116.57 124.59 3k8x h LYS 1524Ca 0.15 -0.24 -0.04 0.00 -1.06 0.00 0.00 60.65 59.46 3k8x h LYS 1524Cb 0.09 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 3k8x h LYS 1524CO -0.02 0.92 -0.18 -0.91 -2.06 0.00 0.00 179.45 177.20 3k8x h ASN 1525N 0.96 0.00 0.07 0.86 2.35 -0.85 -3.13 115.58 115.83 3k8x h ASN 1525Ca 0.21 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.71 3k8x h ASN 1525Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3k8x h ASN 1525CO -0.00 0.18 -1.33 0.15 -1.65 0.00 0.00 177.43 174.78 3k8x h PHE 1526N 0.00 0.26 -1.67 1.19 3.04 -0.85 -3.45 116.94 115.45 3k8x h PHE 1526Ca -0.00 -0.19 -0.24 0.00 3.98 0.00 0.00 57.97 61.52 3k8x h PHE 1526Cb 0.38 -0.01 -0.28 0.00 2.56 0.00 0.00 35.95 38.61 3k8x h PHE 1526CO 0.00 1.52 -0.58 0.45 -2.02 0.00 0.00 178.31 177.68 3k8x s SER 1527N -6.91 0.34 0.47 0.41 0.15 -0.03 -5.04 113.70 103.09 3k8x s SER 1527Ca -0.23 -0.94 0.26 0.00 0.70 0.00 0.00 55.95 55.74 3k8x s SER 1527Cb 0.05 1.05 1.30 0.00 -1.71 0.00 0.00 66.02 66.71 3k8x s SER 1527CO 0.70 -0.28 1.82 0.00 1.20 0.00 0.00 173.24 176.68 3k8x h ALA 1528N 7.51 2.59 -0.01 5.45 0.00 -1.73 -2.25 119.26 130.82 3k8x h ALA 1528Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k8x h ALA 1528Cb 1.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3k8x h ALA 1528CO 0.21 -0.92 -0.30 -0.25 0.00 0.00 0.00 179.25 177.99 3k8x n ASP 1529N -4.41 1.28 -4.75 0.00 10.43 -1.26 -4.91 116.55 112.92 3k8x n ASP 1529Ca 0.23 -1.06 -0.41 0.00 2.57 0.00 0.00 54.79 56.12 3k8x n ASP 1529Cb 0.95 0.21 -0.02 0.00 1.84 0.00 0.00 41.12 44.10 3k8x n ASP 1529CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3k8x s VAL 1530N -2.48 2.38 -0.30 2.53 0.11 -0.85 -4.98 120.40 116.81 3k8x s VAL 1530Ca 0.23 0.33 -0.09 0.00 -2.93 0.00 0.00 61.98 59.52 3k8x s VAL 1530Cb 0.19 -3.21 -0.01 0.00 -1.53 0.00 0.00 36.38 31.82 3k8x s VAL 1530CO 0.53 0.06 0.13 -0.54 -3.33 0.00 0.00 175.10 171.94 3k8x s LYS 1531N -0.71 3.35 -0.19 1.54 -0.14 -1.26 -5.00 119.74 117.33 3k8x s LYS 1531Ca 0.59 -0.70 -0.14 0.00 -1.36 0.00 0.00 55.97 54.36 3k8x s LYS 1531Cb -0.44 -3.50 -0.04 0.00 -1.68 0.00 0.00 37.83 32.16 3k8x s LYS 1531CO 0.48 -0.39 0.32 -0.51 -0.76 0.00 0.00 175.35 174.49 3k8x s LEU 1532N 1.60 4.18 0.61 3.17 1.43 -1.26 -5.10 118.68 123.32 3k8x s LEU 1532Ca 0.05 0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 3k8x s LEU 1532Cb -0.17 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3k8x s LEU 1532CO 0.05 0.02 1.04 -0.89 0.23 0.00 0.00 176.35 176.80 3k8x s THR 1533N 0.94 4.08 0.52 5.49 2.01 -1.26 -4.99 115.64 122.43 3k8x s THR 1533Ca 0.16 0.86 0.27 0.00 0.31 0.00 0.00 61.69 63.29 3k8x s THR 1533Cb -0.14 -3.49 0.32 0.00 0.01 0.00 0.00 72.50 69.20 3k8x s THR 1533CO 0.06 -0.71 2.18 0.44 -0.69 0.00 0.00 174.62 175.90 3k8x h ASP 1534N 0.09 0.00 0.00 3.53 5.19 -1.99 -2.30 116.42 120.94 3k8x h ASP 1534Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3k8x h ASP 1534Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3k8x h ASP 1534CO 0.58 0.05 0.00 -0.90 -3.12 0.00 0.00 179.24 175.85 3k8x n ASP 1535N -3.83 0.00 0.27 6.45 3.85 -1.26 -2.42 116.55 119.60 3k8x n ASP 1535Ca -0.03 -1.23 0.16 0.00 -0.71 0.00 0.00 54.79 52.99 3k8x n ASP 1535Cb 0.14 0.00 0.70 0.00 -1.35 0.00 0.00 41.12 40.61 3k8x n ASP 1535CO 0.00 0.00 0.00 2.19 -1.01 0.00 0.00 177.20 178.38 3k8x h PHE 1536N 0.00 0.00 -3.30 2.11 -5.15 -1.78 -3.43 116.94 105.39 3k8x h PHE 1536Ca 0.00 0.00 -0.45 0.00 -0.20 0.00 0.00 57.97 57.32 3k8x h PHE 1536Cb 0.00 0.00 -0.36 0.00 0.22 0.00 0.00 35.95 35.81 3k8x h PHE 1536CO 0.00 0.06 -0.78 0.12 -2.00 0.00 0.00 178.31 175.71 3k8x s PHE 1537N -3.76 0.90 -0.07 6.09 2.19 -1.02 -0.98 117.98 121.33 3k8x s PHE 1537Ca 0.00 -0.32 0.02 0.00 0.33 0.00 0.00 56.93 56.96 3k8x s PHE 1537Cb 0.10 -0.87 0.02 0.00 -1.31 0.00 0.00 43.02 40.96 3k8x s PHE 1537CO 0.55 -0.33 -0.10 0.42 1.83 0.00 0.00 175.22 177.59 3k8x s ILE 1538N 1.56 1.04 -0.17 3.12 1.01 0.36 -5.00 121.20 123.12 3k8x s ILE 1538Ca -0.00 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3k8x s ILE 1538Cb -0.13 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.38 3k8x s ILE 1538CO -0.04 0.34 -0.18 -0.55 0.00 0.00 0.00 174.94 174.51 3k8x s SER 1539N 0.86 3.02 -0.19 3.58 0.15 -1.26 -0.65 113.70 119.20 3k8x s SER 1539Ca -0.11 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 3k8x s SER 1539Cb -0.15 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.77 3k8x s SER 1539CO 0.01 -0.02 -0.14 0.20 1.20 0.00 0.00 173.24 174.50 3k8x s ASN 1540N 1.34 3.62 0.31 5.45 0.01 0.10 -4.95 114.94 120.82 3k8x s ASN 1540Ca 0.05 -0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 51.37 3k8x s ASN 1540Cb -0.13 -1.58 -0.12 0.00 0.41 0.00 0.00 41.25 39.83 3k8x s ASN 1540CO -0.12 0.00 1.56 1.21 -1.51 0.00 0.00 177.10 178.24 3k8x n GLU 1541N 4.62 2.66 -3.94 -0.60 2.13 -1.22 0.38 120.64 124.66 3k8x n GLU 1541Ca -0.20 0.94 -0.35 0.00 0.66 0.00 0.00 57.16 58.22 3k8x n GLU 1541Cb 0.51 -2.71 -0.09 0.00 0.27 0.00 0.00 31.44 29.41 3k8x n GLU 1541CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3k8x s LEU 1542N -0.72 3.92 0.14 4.31 1.43 0.73 -1.78 118.68 126.71 3k8x s LEU 1542Ca 0.62 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3k8x s LEU 1542Cb -0.50 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3k8x s LEU 1542CO 0.51 0.18 -0.01 0.27 0.23 0.00 0.00 176.35 177.53 3k8x s ILE 1543N 0.32 0.61 -0.02 -0.59 -4.36 -0.05 -4.20 121.20 112.92 3k8x s ILE 1543Ca 0.04 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.18 3k8x s ILE 1543Cb -0.12 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 3k8x s ILE 1543CO -0.00 -0.60 1.21 -1.61 0.24 0.00 0.00 174.94 174.18 3k8x s GLU 1544N -3.91 4.37 0.36 0.37 2.02 -1.26 -0.76 118.70 119.90 3k8x s GLU 1544Ca 0.20 1.72 -0.06 0.00 0.02 0.00 0.00 54.97 56.85 3k8x s GLU 1544Cb 0.06 -3.50 0.09 0.00 0.10 0.00 0.00 34.13 30.88 3k8x s GLU 1544CO 0.01 -0.39 0.42 -0.40 0.02 0.00 0.00 175.26 174.91 3k8x n ASP 1545N 4.82 -0.53 0.29 -0.19 3.85 0.12 -4.86 116.55 120.06 3k8x n ASP 1545Ca 0.10 -0.99 0.14 0.00 -0.71 0.00 0.00 54.79 53.34 3k8x n ASP 1545Cb 0.46 -0.34 0.85 0.00 -1.35 0.00 0.00 41.12 40.74 3k8x n ASP 1545CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3k8x h GLU 1546N 0.00 0.00 -0.68 0.11 4.11 -1.97 -1.59 114.58 114.56 3k8x h GLU 1546Ca -0.14 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.16 3k8x h GLU 1546Cb 0.41 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 3k8x h GLU 1546CO 0.10 0.03 0.16 0.09 0.07 0.00 0.00 179.01 179.46 3k8x n ASN 1547N -3.85 5.25 0.00 3.06 4.13 -1.26 -4.95 115.26 117.64 3k8x n ASN 1547Ca -0.03 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.12 3k8x n ASN 1547Cb 0.12 -0.72 0.00 0.00 -1.54 0.00 0.00 39.78 37.64 3k8x n ASN 1547CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k8x n GLY 1548N 0.17 0.37 3.77 7.41 0.00 -0.60 -5.01 105.19 111.31 3k8x n GLY 1548Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 3k8x n GLY 1548CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k8x s GLU 1549N -0.72 4.60 0.01 1.61 2.56 -1.26 -4.64 118.70 120.87 3k8x s GLU 1549Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 54.97 55.87 3k8x s GLU 1549Cb 0.00 -3.22 -0.06 0.00 2.00 0.00 0.00 34.13 32.86 3k8x s GLU 1549CO 0.00 0.54 1.40 -0.51 -0.56 0.00 0.00 175.26 176.12 3k8x s LEU 1550N -1.26 4.32 0.15 2.70 1.43 -1.26 0.13 118.68 124.89 3k8x s LEU 1550Ca 0.38 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 3k8x s LEU 1550Cb -0.23 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 3k8x s LEU 1550CO 0.27 -0.71 -0.05 0.42 0.23 0.00 0.00 176.35 176.51 3k8x s THR 1551N 2.22 0.86 0.12 5.49 -4.23 0.06 -4.92 115.64 115.24 3k8x s THR 1551Ca 0.64 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.89 3k8x s THR 1551Cb -0.32 -1.91 -0.07 0.00 1.34 0.00 0.00 72.50 71.54 3k8x s THR 1551CO 0.27 -0.67 0.81 -1.61 -0.54 0.00 0.00 174.62 172.88 3k8x s GLU 1552N -3.83 4.58 0.10 3.99 2.02 -1.26 -0.87 118.70 123.43 3k8x s GLU 1552Ca 0.18 1.19 -0.01 0.00 0.02 0.00 0.00 54.97 56.35 3k8x s GLU 1552Cb 0.05 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 3k8x s GLU 1552CO 0.00 0.40 0.03 0.14 0.02 0.00 0.00 175.26 175.85 3k8x s VAL 1553N -0.56 0.15 -0.22 2.63 -7.23 -0.74 -4.95 120.40 109.49 3k8x s VAL 1553Ca 0.39 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 3k8x s VAL 1553Cb -0.22 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 34.95 3k8x s VAL 1553CO 0.26 -0.69 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.52 3k8x s GLU 1554N -3.99 2.46 0.17 4.82 2.12 -1.26 -3.43 118.70 119.59 3k8x s GLU 1554Ca 0.16 -1.06 -0.05 0.00 0.36 0.00 0.00 54.97 54.38 3k8x s GLU 1554Cb 0.08 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 3k8x s GLU 1554CO -0.03 -0.41 0.19 -0.98 -0.54 0.00 0.00 175.26 173.48 3k8x s ARG 1555N 1.23 1.13 0.24 4.30 1.70 -1.26 -5.13 118.95 121.16 3k8x s ARG 1555Ca -0.02 -1.38 -0.30 0.00 -0.47 0.00 0.00 55.73 53.55 3k8x s ARG 1555Cb -0.17 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.43 3k8x s ARG 1555CO -0.08 -0.38 1.32 -1.21 -1.08 0.00 0.00 175.30 173.86 3k8x s GLU 1556N -4.05 4.38 0.25 3.89 2.02 -1.26 -4.96 118.70 118.97 3k8x s GLU 1556Ca 0.25 2.11 -0.29 0.00 0.02 0.00 0.00 54.97 57.06 3k8x s GLU 1556Cb 0.05 -3.16 -0.15 0.00 0.10 0.00 0.00 34.13 30.98 3k8x s GLU 1556CO 0.05 -0.24 1.06 -2.30 0.02 0.00 0.00 175.26 173.84 3k8x n PRO 1557N 2.13 1.29 -0.53 0.39 -0.02 -1.26 -2.72 135.00 134.29 3k8x n PRO 1557Ca 0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3k8x n PRO 1557Cb 0.42 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3k8x n PRO 1557CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k8x n GLY 1558N 1.51 0.75 0.15 -1.23 0.00 -1.26 -4.94 105.19 100.18 3k8x n GLY 1558Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3k8x n GLY 1558CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8x n ALA 1559N -0.42 2.71 -1.67 4.61 0.00 -1.10 -4.91 120.51 119.73 3k8x n ALA 1559Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 3k8x n ALA 1559Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 3k8x n ALA 1559CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k8x s ASN 1560N -2.31 6.43 0.00 0.00 6.03 -1.26 -4.88 114.94 118.95 3k8x s ASN 1560Ca 0.34 2.72 0.28 0.00 -1.03 0.00 0.00 52.86 55.17 3k8x s ASN 1560Cb 0.21 -2.54 1.11 0.00 -3.03 0.00 0.00 41.25 36.99 3k8x s ASN 1560CO 0.43 -1.05 1.79 0.00 -2.03 0.00 0.00 177.10 176.25 3k8x n ALA 1561N 7.00 2.83 -2.47 3.54 0.00 -1.26 -4.84 120.51 125.31 3k8x n ALA 1561Ca 0.19 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 3k8x n ALA 1561Cb 0.40 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3k8x n ALA 1561CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3k8x s ILE 1562N -2.57 1.67 -0.60 0.00 -4.36 -1.26 -5.07 121.20 109.02 3k8x s ILE 1562Ca 0.25 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.62 3k8x s ILE 1562Cb 0.20 -2.62 0.42 0.00 1.25 0.00 0.00 42.46 41.71 3k8x s ILE 1562CO 0.50 -0.19 1.15 0.61 0.24 0.00 0.00 174.94 177.26 3k8x n GLY 1563N -0.68 2.30 3.00 6.27 0.00 -1.26 -4.81 105.19 110.01 3k8x n GLY 1563Ca -0.05 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 3k8x n GLY 1563CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k8x s MET 1564N -1.90 0.80 0.05 1.61 -2.45 -1.26 -0.25 119.30 115.90 3k8x s MET 1564Ca 0.28 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.45 3k8x s MET 1564Cb 0.21 -0.76 -0.03 0.00 1.25 0.00 0.00 34.83 35.51 3k8x s MET 1564CO 0.08 0.14 -0.08 0.08 1.05 0.00 0.00 175.02 176.29 3k8x s VAL 1565N 0.03 0.58 0.03 10.11 1.01 0.62 -4.94 120.40 127.85 3k8x s VAL 1565Ca -0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 3k8x s VAL 1565Cb -0.06 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 3k8x s VAL 1565CO 0.00 -0.48 0.15 0.00 0.00 0.00 0.00 175.10 174.77 3k8x s ALA 1566N -1.82 -0.25 0.00 5.51 0.00 -1.26 -0.16 121.76 123.79 3k8x s ALA 1566Ca -0.06 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3k8x s ALA 1566Cb -0.07 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3k8x s ALA 1566CO -0.01 -0.32 -0.09 -0.06 0.00 0.00 0.00 175.76 175.29 3k8x s PHE 1567N -2.36 0.78 -0.21 0.00 0.40 -0.09 -0.19 117.98 116.30 3k8x s PHE 1567Ca -0.07 -0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 3k8x s PHE 1567Cb -0.02 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.97 3k8x s PHE 1567CO -0.03 -0.01 0.25 0.21 0.70 0.00 0.00 175.22 176.33 3k8x s LYS 1568N -0.43 4.14 -0.16 0.44 2.20 0.16 -1.16 119.74 124.92 3k8x s LYS 1568Ca 0.02 -0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.52 3k8x s LYS 1568Cb -0.04 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 3k8x s LYS 1568CO -0.00 0.07 -0.04 0.42 -0.36 0.00 0.00 175.35 175.44 3k8x s ILE 1569N 1.00 3.75 -0.20 5.43 1.01 -0.32 -0.72 121.20 131.14 3k8x s ILE 1569Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3k8x s ILE 1569Cb -0.14 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.71 3k8x s ILE 1569CO 0.05 0.48 -0.15 -0.89 0.00 0.00 0.00 174.94 174.42 3k8x s THR 1570N 0.55 2.33 -0.02 2.92 2.01 0.17 -2.11 115.64 121.50 3k8x s THR 1570Ca -0.03 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 3k8x s THR 1570Cb -0.14 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.34 3k8x s THR 1570CO 0.03 0.43 0.03 0.54 -0.69 0.00 0.00 174.62 174.95 3k8x s VAL 1571N 1.30 -0.06 -0.04 3.82 0.11 0.04 -0.48 120.40 125.07 3k8x s VAL 1571Ca 0.03 0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 59.04 3k8x s VAL 1571Cb -0.14 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 3k8x s VAL 1571CO -0.10 0.09 0.84 -0.54 -3.33 0.00 0.00 175.10 172.07 3k8x s LYS 1572N 1.13 4.48 0.23 1.54 1.02 -0.16 -0.88 119.74 127.11 3k8x s LYS 1572Ca -0.08 1.14 0.03 0.00 0.02 0.00 0.00 55.97 57.07 3k8x s LYS 1572Cb -0.13 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 3k8x s LYS 1572CO -0.03 -0.02 0.03 0.95 -0.92 0.00 0.00 175.35 175.36 3k8x s THR 1573N 1.01 0.83 0.23 2.17 -4.23 0.05 -4.92 115.64 110.78 3k8x s THR 1573Ca 0.44 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 3k8x s THR 1573Cb -0.19 -2.40 0.23 0.00 1.34 0.00 0.00 72.50 71.47 3k8x s THR 1573CO 0.22 -0.25 1.67 -0.65 -0.54 0.00 0.00 174.62 175.07 3k8x h PRO 1574N 2.48 0.19 0.00 3.99 0.11 -1.94 0.13 132.00 136.95 3k8x h PRO 1574Ca -0.38 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 3k8x h PRO 1574Cb 1.23 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3k8x h PRO 1574CO 0.63 0.13 -0.67 1.05 -0.21 0.00 0.00 178.00 178.93 3k8x h GLU 1575N 0.20 0.00 -2.49 1.05 9.09 -1.91 -3.36 114.58 117.16 3k8x h GLU 1575Ca 0.39 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 59.20 3k8x h GLU 1575Cb 0.65 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 27.35 3k8x h GLU 1575CO -0.53 0.67 -0.80 0.66 0.05 0.00 0.00 179.01 179.05 3k8x n TYR 1576N -3.64 1.36 0.30 2.06 4.02 -0.32 -4.86 117.16 116.08 3k8x n TYR 1576Ca -0.01 -3.83 0.19 0.00 -0.01 0.00 0.00 57.90 54.24 3k8x n TYR 1576Cb 0.68 -0.29 0.90 0.00 -0.02 0.00 0.00 39.34 40.61 3k8x n TYR 1576CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3k8x h PRO 1577N 4.97 0.00 -0.01 -0.72 0.13 -0.98 0.93 132.00 136.31 3k8x h PRO 1577Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3k8x h PRO 1577Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3k8x h PRO 1577CO 0.59 0.02 -0.21 0.54 -0.23 0.00 0.00 178.00 178.71 3k8x n ARG 1578N -3.19 1.17 0.00 0.86 1.74 -1.26 -4.60 116.66 111.38 3k8x n ARG 1578Ca -0.01 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 3k8x n ARG 1578Cb 0.20 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3k8x n ARG 1578CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k8x n GLY 1579N 1.31 3.39 3.25 -0.13 0.00 0.10 -4.89 105.19 108.22 3k8x n GLY 1579Ca 0.13 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 3k8x n GLY 1579CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k8x s ARG 1580N -5.01 1.08 0.07 1.61 1.70 -0.06 -4.94 118.95 113.40 3k8x s ARG 1580Ca 0.00 -1.49 0.03 0.00 -0.47 0.00 0.00 55.73 53.80 3k8x s ARG 1580Cb 0.00 -0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 33.91 3k8x s ARG 1580CO 0.00 -0.03 -0.10 -0.65 -1.08 0.00 0.00 175.30 173.44 3k8x s GLN 1581N -3.83 0.70 0.19 3.89 -0.21 -1.26 -0.78 119.66 118.36 3k8x s GLN 1581Ca 0.20 -0.96 -0.21 0.00 0.02 0.00 0.00 55.36 54.41 3k8x s GLN 1581Cb 0.05 -0.46 0.05 0.00 1.00 0.00 0.00 33.01 33.65 3k8x s GLN 1581CO 0.02 0.08 0.60 -0.59 -2.12 0.00 0.00 175.29 173.28 3k8x s PHE 1582N -1.85 -0.36 0.04 0.91 -0.12 -0.90 -4.17 117.98 111.53 3k8x s PHE 1582Ca -0.02 0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.93 3k8x s PHE 1582Cb -0.07 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 3k8x s PHE 1582CO 0.00 -0.95 0.06 0.14 -0.05 0.00 0.00 175.22 174.42 3k8x s VAL 1583N -3.82 4.51 -0.14 -2.49 -7.23 -0.33 -1.18 120.40 109.72 3k8x s VAL 1583Ca 0.05 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3k8x s VAL 1583Cb -0.02 -3.10 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 3k8x s VAL 1583CO -0.06 0.25 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.15 3k8x s VAL 1584N -1.26 2.90 0.03 1.32 1.01 -0.31 -0.66 120.40 123.43 3k8x s VAL 1584Ca 0.25 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3k8x s VAL 1584Cb -0.12 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3k8x s VAL 1584CO 0.17 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.93 3k8x s VAL 1585N 0.49 2.85 -0.14 2.92 1.01 0.65 -0.92 120.40 127.27 3k8x s VAL 1585Ca -0.10 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.58 3k8x s VAL 1585Cb -0.16 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.06 3k8x s VAL 1585CO 0.04 0.35 0.43 0.00 0.00 0.00 0.00 175.10 175.93 3k8x s ALA 1586N -0.92 -1.07 0.56 5.51 0.00 0.78 -0.42 121.76 126.19 3k8x s ALA 1586Ca 0.15 1.11 -0.19 0.00 0.00 0.00 0.00 51.96 53.03 3k8x s ALA 1586Cb -0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3k8x s ALA 1586CO 0.05 -0.22 1.15 -0.80 0.00 0.00 0.00 175.76 175.94 3k8x s ASN 1587N -0.05 5.57 -0.48 0.00 0.01 -1.07 -0.27 114.94 118.65 3k8x s ASN 1587Ca -0.02 2.24 -0.11 0.00 -0.71 0.00 0.00 52.86 54.26 3k8x s ASN 1587Cb -0.03 -2.59 0.12 0.00 0.41 0.00 0.00 41.25 39.16 3k8x s ASN 1587CO 0.02 -1.32 0.38 -0.62 -1.51 0.00 0.00 177.10 174.04 3k8x s ASP 1588N -1.71 5.84 0.61 -1.22 3.68 0.65 -4.70 116.67 119.82 3k8x s ASP 1588Ca 0.74 -1.83 0.40 0.00 2.13 0.00 0.00 52.55 53.98 3k8x s ASP 1588Cb -0.26 -2.07 2.15 0.00 -1.45 0.00 0.00 42.92 41.30 3k8x s ASP 1588CO 0.29 -0.72 2.21 -0.29 0.13 0.00 0.00 175.17 176.79 3k8x h ILE 1589N 6.06 0.00 0.00 4.11 6.09 -1.86 -1.00 117.51 130.90 3k8x h ILE 1589Ca -0.24 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.17 3k8x h ILE 1589Cb 1.08 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.24 3k8x h ILE 1589CO 0.90 0.00 -0.54 0.71 -3.07 0.00 0.00 178.15 176.15 3k8x h THR 1590N 0.00 0.56 -3.54 2.19 1.35 -1.91 -3.16 112.91 108.41 3k8x h THR 1590Ca 0.00 -1.83 -0.63 0.00 -0.55 0.00 0.00 66.41 63.40 3k8x h THR 1590Cb 0.07 2.22 -0.13 0.00 -1.73 0.00 0.00 68.15 68.57 3k8x h THR 1590CO 0.00 0.32 0.38 0.12 -0.25 0.00 0.00 175.52 176.10 3k8x s PHE 1591N -3.04 2.96 -1.49 4.73 5.36 -0.39 -4.33 117.98 121.78 3k8x s PHE 1591Ca 0.03 0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 56.09 3k8x s PHE 1591Cb 0.07 -3.74 0.01 0.00 -0.34 0.00 0.00 43.02 39.03 3k8x s PHE 1591CO 0.74 -1.06 0.28 1.63 -1.46 0.00 0.00 175.22 175.35 3k8x n LYS 1592N 6.83 -2.32 -2.19 10.12 5.02 -1.26 -0.38 118.16 133.98 3k8x n LYS 1592Ca 0.02 0.28 -0.13 0.00 -2.02 0.00 0.00 58.31 56.45 3k8x n LYS 1592Cb 0.48 -4.20 -0.02 0.00 -0.02 0.00 0.00 35.03 31.28 3k8x n LYS 1592CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k8x n ILE 1593N -4.47 -0.47 -1.36 -0.18 5.41 -1.24 -1.69 119.36 115.36 3k8x n ILE 1593Ca -0.29 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.34 3k8x n ILE 1593Cb 0.68 -1.71 -0.05 0.00 -0.71 0.00 0.00 39.64 37.85 3k8x n ILE 1593CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k8x n GLY 1594N -0.69 1.33 3.75 7.39 0.00 0.49 -2.77 105.19 114.69 3k8x n GLY 1594Ca -0.15 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3k8x n GLY 1594CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k8x s SER 1595N -2.85 4.74 -0.43 1.61 1.04 -0.68 -3.76 113.70 113.37 3k8x s SER 1595Ca 0.00 2.11 -0.16 0.00 0.48 0.00 0.00 55.95 58.38 3k8x s SER 1595Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.59 3k8x s SER 1595CO 0.00 -1.88 0.37 -0.36 0.98 0.00 0.00 173.24 172.34 3k8x s PHE 1596N -2.26 3.22 0.54 5.02 0.40 0.15 -4.82 117.98 120.22 3k8x s PHE 1596Ca 0.69 -0.60 0.08 0.00 -0.60 0.00 0.00 56.93 56.50 3k8x s PHE 1596Cb -0.23 -2.81 0.06 0.00 0.51 0.00 0.00 43.02 40.54 3k8x s PHE 1596CO 0.44 -0.68 0.64 0.20 0.70 0.00 0.00 175.22 176.52 3k8x s GLY 1597N 1.93 1.95 0.51 4.36 0.00 -1.26 -1.02 107.32 113.78 3k8x s GLY 1597Ca 0.07 -1.86 0.20 0.00 0.00 0.00 0.00 44.72 43.13 3k8x s GLY 1597CO 0.10 -1.73 2.05 -2.55 0.00 0.00 0.00 173.10 170.98 3k8x h PRO 1598N 0.44 0.07 -0.26 2.90 0.11 -1.92 -0.66 132.00 132.68 3k8x h PRO 1598Ca -0.34 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.60 3k8x h PRO 1598Cb 1.29 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3k8x h PRO 1598CO 0.47 0.04 -0.52 1.96 -0.21 0.00 0.00 178.00 179.74 3k8x h GLN 1599N 0.07 0.76 -0.16 1.05 4.20 -1.97 -1.23 115.11 117.83 3k8x h GLN 1599Ca 0.16 -0.46 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 3k8x h GLN 1599Cb 0.54 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3k8x h GLN 1599CO -0.01 1.09 -0.00 0.93 -0.67 0.00 0.00 178.83 180.16 3k8x h GLU 1600N 0.59 0.28 -0.27 1.46 3.07 -1.53 -1.64 114.58 116.54 3k8x h GLU 1600Ca 0.02 -0.09 0.06 0.00 -0.50 0.00 0.00 59.36 58.85 3k8x h GLU 1600Cb 1.10 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 3k8x h GLU 1600CO 0.11 0.51 -0.18 -0.44 -1.40 0.00 0.00 179.01 177.61 3k8x h ASP 1601N 0.02 -0.61 -0.85 1.42 3.32 -1.35 0.14 116.42 118.52 3k8x h ASP 1601Ca 0.04 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3k8x h ASP 1601Cb 0.39 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3k8x h ASP 1601CO 0.01 -0.22 0.43 -0.33 -1.72 0.00 0.00 179.24 177.41 3k8x h GLU 1602N -0.17 1.22 -0.29 3.56 4.39 -1.13 -0.25 114.58 121.91 3k8x h GLU 1602Ca 0.15 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 3k8x h GLU 1602Cb 0.39 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3k8x h GLU 1602CO -0.37 0.92 0.05 0.35 -1.16 0.00 0.00 179.01 178.80 3k8x h PHE 1603N 1.21 0.50 -0.83 4.33 3.57 -1.06 -0.75 116.94 123.91 3k8x h PHE 1603Ca 0.30 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3k8x h PHE 1603Cb 0.09 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3k8x h PHE 1603CO 0.01 0.56 0.50 0.35 -2.23 0.00 0.00 178.31 177.50 3k8x h PHE 1604N 0.30 1.08 -0.30 0.41 3.57 -0.37 -0.53 116.94 121.10 3k8x h PHE 1604Ca 0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3k8x h PHE 1604Cb 0.32 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3k8x h PHE 1604CO 0.02 0.72 -0.14 -0.97 -2.23 0.00 0.00 178.31 175.71 3k8x h ASN 1605N 1.14 0.64 -0.93 0.41 -0.73 -0.85 -1.20 115.58 114.07 3k8x h ASN 1605Ca 0.30 -0.40 0.05 0.00 1.87 0.00 0.00 56.30 58.12 3k8x h ASN 1605Cb -0.05 -0.18 -0.06 0.00 0.27 0.00 0.00 38.32 38.30 3k8x h ASN 1605CO -0.06 0.90 0.60 0.11 -0.37 0.00 0.00 177.43 178.61 3k8x h LYS 1606N 0.38 1.08 -0.34 6.67 1.57 -0.62 -1.21 116.57 124.10 3k8x h LYS 1606Ca 0.07 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3k8x h LYS 1606Cb 0.65 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3k8x h LYS 1606CO 0.04 0.72 0.02 0.28 -0.57 0.00 0.00 179.45 179.94 3k8x h VAL 1607N 1.11 1.25 -0.47 0.50 2.07 -0.94 0.33 116.25 120.10 3k8x h VAL 1607Ca 0.39 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3k8x h VAL 1607Cb 0.11 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3k8x h VAL 1607CO -0.15 0.31 0.27 0.74 0.02 0.00 0.00 177.57 178.75 3k8x h THR 1608N 0.41 1.03 -0.46 2.57 2.02 -0.93 -1.01 112.91 116.54 3k8x h THR 1608Ca 0.10 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 3k8x h THR 1608Cb 0.42 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3k8x h THR 1608CO 0.01 0.10 -0.07 -0.33 0.37 0.00 0.00 175.52 175.60 3k8x h GLU 1609N 0.54 0.80 -0.28 6.66 5.08 -1.07 -0.35 114.58 125.96 3k8x h GLU 1609Ca 0.19 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3k8x h GLU 1609Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3k8x h GLU 1609CO -0.10 0.86 0.12 -0.92 -1.00 0.00 0.00 179.01 177.97 3k8x h TYR 1610N 0.73 0.23 -0.26 4.33 3.20 -0.45 0.48 116.97 125.23 3k8x h TYR 1610Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3k8x h TYR 1610Cb 0.55 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3k8x h TYR 1610CO 0.03 0.12 0.12 0.00 -1.64 0.00 0.00 178.16 176.79 3k8x h ALA 1611N 1.16 0.33 -0.89 1.82 0.00 -0.94 -2.86 119.26 117.88 3k8x h ALA 1611Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3k8x h ALA 1611Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3k8x h ALA 1611CO -0.10 -0.09 0.50 0.00 0.00 0.00 0.00 179.25 179.56 3k8x h ARG 1612N 0.28 1.24 -0.85 0.00 3.08 -0.80 0.15 114.38 117.48 3k8x h ARG 1612Ca 0.09 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3k8x h ARG 1612Cb 0.14 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3k8x h ARG 1612CO -0.01 0.90 0.49 -0.22 -1.07 0.00 0.00 179.97 180.06 3k8x h LYS 1613N 1.24 1.17 0.00 0.04 3.64 -0.85 -2.61 116.57 119.20 3k8x h LYS 1613Ca 0.32 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3k8x h LYS 1613Cb 0.01 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3k8x h LYS 1613CO -0.05 0.84 -0.35 0.54 -2.27 0.00 0.00 179.45 178.15 3k8x n ARG 1614N -4.41 0.14 -0.97 1.90 1.74 -0.92 -4.93 116.66 109.21 3k8x n ARG 1614Ca 0.09 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3k8x n ARG 1614Cb 0.07 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3k8x n ARG 1614CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k8x n GLY 1615N 1.42 0.46 3.89 -0.13 0.00 0.41 -4.76 105.19 106.48 3k8x n GLY 1615Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3k8x n GLY 1615CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k8x s ILE 1616N -2.00 5.17 0.69 -0.61 1.09 -0.61 -0.24 121.20 124.69 3k8x s ILE 1616Ca 0.00 0.08 -0.16 0.00 -1.10 0.00 0.00 60.65 59.47 3k8x s ILE 1616Cb 0.00 -3.62 0.02 0.00 -1.06 0.00 0.00 42.46 37.79 3k8x s ILE 1616CO 0.00 0.10 1.23 -2.84 -0.10 0.00 0.00 174.94 173.33 3k8x s PRO 1617N -2.49 2.36 -0.22 2.79 0.02 -1.26 -4.58 135.00 131.61 3k8x s PRO 1617Ca 0.39 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.29 3k8x s PRO 1617Cb -0.12 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.60 3k8x s PRO 1617CO 0.23 -1.70 -0.11 0.50 -0.33 0.00 0.00 177.00 175.60 3k8x s ARG 1618N -3.67 2.13 -0.19 5.54 3.52 -0.27 -1.19 118.95 124.81 3k8x s ARG 1618Ca 0.77 -1.03 -0.10 0.00 -0.13 0.00 0.00 55.73 55.24 3k8x s ARG 1618Cb -0.32 -2.61 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 3k8x s ARG 1618CO 0.42 -0.48 0.14 0.42 -0.81 0.00 0.00 175.30 174.99 3k8x s ILE 1619N 1.29 5.41 -0.09 4.11 1.09 0.16 -2.51 121.20 130.65 3k8x s ILE 1619Ca -0.04 0.22 0.03 0.00 -1.10 0.00 0.00 60.65 59.76 3k8x s ILE 1619Cb -0.18 -3.47 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 3k8x s ILE 1619CO -0.07 0.46 -0.21 -0.47 -0.10 0.00 0.00 174.94 174.55 3k8x s TYR 1620N 0.22 2.61 -0.32 3.97 6.04 -0.23 -0.25 117.35 129.39 3k8x s TYR 1620Ca 0.09 -0.81 -0.06 0.00 0.04 0.00 0.00 57.07 56.33 3k8x s TYR 1620Cb -0.11 -1.71 0.03 0.00 -1.04 0.00 0.00 41.96 39.12 3k8x s TYR 1620CO -0.01 -0.28 0.09 -0.51 -1.54 0.00 0.00 175.55 173.31 3k8x s LEU 1621N 0.16 4.13 -0.32 6.97 1.43 0.44 -0.90 118.68 130.59 3k8x s LEU 1621Ca -0.11 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 3k8x s LEU 1621Cb -0.16 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3k8x s LEU 1621CO 0.06 -0.28 0.21 0.00 0.23 0.00 0.00 176.35 176.58 3k8x s ALA 1622N 1.44 3.48 -0.33 4.21 0.00 0.34 -2.58 121.76 128.32 3k8x s ALA 1622Ca -0.00 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.66 3k8x s ALA 1622Cb -0.19 -2.58 0.14 0.00 0.00 0.00 0.00 23.12 20.50 3k8x s ALA 1622CO 0.03 -0.85 0.32 0.00 0.00 0.00 0.00 175.76 175.26 3k8x s ALA 1623N 1.72 -0.34 0.29 0.00 0.00 -1.25 -0.86 121.76 121.31 3k8x s ALA 1623Ca 0.06 -0.70 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 3k8x s ALA 1623Cb -0.17 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.08 3k8x s ALA 1623CO 0.10 -1.91 0.64 0.54 0.00 0.00 0.00 175.76 175.12 3k8x s ASN 1624N 1.89 -0.08 -0.14 0.00 4.22 0.31 -3.94 114.94 117.20 3k8x s ASN 1624Ca 0.13 -0.86 0.18 0.00 -2.14 0.00 0.00 52.86 50.17 3k8x s ASN 1624Cb -0.15 0.70 0.30 0.00 1.28 0.00 0.00 41.25 43.38 3k8x s ASN 1624CO -0.19 -1.34 1.16 -1.20 -2.04 0.00 0.00 177.10 173.49 3k8x n SER 1625N -0.65 2.26 0.00 3.54 7.64 -1.11 -3.74 113.62 121.55 3k8x n SER 1625Ca -0.04 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.68 3k8x n SER 1625Cb 0.60 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3k8x n SER 1625CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k8x n GLY 1626N -1.39 -1.05 3.77 0.23 0.00 -1.17 -4.85 105.19 100.74 3k8x n GLY 1626Ca 0.16 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 3k8x n GLY 1626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8x s ALA 1627N -1.16 3.46 0.29 4.61 0.00 -1.26 0.31 121.76 128.01 3k8x s ALA 1627Ca 0.00 1.54 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 3k8x s ALA 1627Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 3k8x s ALA 1627CO 0.00 -1.10 1.23 0.50 0.00 0.00 0.00 175.76 176.39 3k8x s ARG 1628N -2.22 4.46 0.09 0.00 3.52 -0.19 -4.67 118.95 119.94 3k8x s ARG 1628Ca 0.56 2.05 0.06 0.00 -0.13 0.00 0.00 55.73 58.27 3k8x s ARG 1628Cb -0.46 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3k8x s ARG 1628CO 0.61 -0.06 -0.17 0.96 -0.81 0.00 0.00 175.30 175.83 3k8x s ILE 1629N -0.95 1.38 0.16 4.11 -4.36 -1.26 -4.63 121.20 115.65 3k8x s ILE 1629Ca 0.49 -1.43 -0.25 0.00 -0.26 0.00 0.00 60.65 59.20 3k8x s ILE 1629Cb -0.37 -1.30 0.06 0.00 1.25 0.00 0.00 42.46 42.11 3k8x s ILE 1629CO 0.47 -0.16 0.96 -0.83 0.24 0.00 0.00 174.94 175.62 3k8x s GLY 1630N -1.85 -0.22 0.41 6.27 0.00 -0.95 -4.91 107.32 106.07 3k8x s GLY 1630Ca 0.02 0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.90 3k8x s GLY 1630CO 0.03 0.05 0.02 1.06 0.00 0.00 0.00 173.10 174.26 3k8x s MET 1631N -3.25 1.94 -0.75 2.90 -1.94 -1.26 -4.72 119.30 112.22 3k8x s MET 1631Ca 0.13 -2.12 -0.24 0.00 -1.71 0.00 0.00 55.69 51.74 3k8x s MET 1631Cb -0.01 -1.48 0.05 0.00 2.01 0.00 0.00 34.83 35.40 3k8x s MET 1631CO 0.02 -0.12 1.16 0.00 -0.01 0.00 0.00 175.02 176.08 3k8x s ALA 1632N -2.83 2.93 0.35 3.03 0.00 -1.26 -4.87 121.76 119.11 3k8x s ALA 1632Ca 0.31 -1.74 0.08 0.00 0.00 0.00 0.00 51.96 50.61 3k8x s ALA 1632Cb 0.09 -4.12 0.66 0.00 0.00 0.00 0.00 23.12 19.76 3k8x s ALA 1632CO 0.16 -3.10 1.85 0.93 0.00 0.00 0.00 175.76 175.59 3k8x h GLU 1633N 9.75 0.28 0.00 0.00 4.39 -2.00 -2.23 114.58 124.76 3k8x h GLU 1633Ca -0.21 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3k8x h GLU 1633Cb 1.05 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3k8x h GLU 1633CO 1.25 0.47 0.00 -0.85 -1.16 0.00 0.00 179.01 178.71 3k8x n GLU 1634N -4.21 0.15 -0.00 2.33 0.00 -1.26 -1.72 120.64 115.92 3k8x n GLU 1634Ca -0.01 0.57 0.11 0.00 0.00 0.00 0.00 57.16 57.83 3k8x n GLU 1634Cb 0.32 -1.91 -0.15 0.00 0.00 0.00 0.00 31.44 29.70 3k8x n GLU 1634CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3k8x n ILE 1635N -2.21 0.02 0.04 3.84 2.08 -0.84 -4.46 119.36 117.82 3k8x n ILE 1635Ca -0.00 -0.42 -0.11 0.00 0.56 0.00 0.00 62.75 62.78 3k8x n ILE 1635Cb 0.09 0.14 -0.04 0.00 -0.75 0.00 0.00 39.64 39.08 3k8x n ILE 1635CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3k8x h VAL 1636N 0.00 0.48 0.00 1.39 2.07 -1.35 -2.33 116.25 116.52 3k8x h VAL 1636Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3k8x h VAL 1636Cb 0.92 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3k8x h VAL 1636CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 3k8x n PRO 1637N -5.35 1.00 -0.02 1.57 -0.04 -1.26 -4.00 135.00 126.90 3k8x n PRO 1637Ca -0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.46 3k8x n PRO 1637Cb 0.26 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.09 3k8x n PRO 1637CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3k8x n LEU 1638N -1.00 0.00 -4.77 1.53 4.77 -0.91 -5.03 117.00 111.59 3k8x n LEU 1638Ca 0.24 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.84 3k8x n LEU 1638Cb 0.11 0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3k8x n LEU 1638CO 0.18 0.10 0.63 0.72 -1.33 0.00 0.00 177.39 177.68 3k8x s PHE 1639N -2.99 3.78 0.18 -1.77 -0.12 -1.03 -4.64 117.98 111.39 3k8x s PHE 1639Ca -0.07 1.79 0.06 0.00 -0.05 0.00 0.00 56.93 58.66 3k8x s PHE 1639Cb 0.09 -2.91 -0.04 0.00 -0.63 0.00 0.00 43.02 39.53 3k8x s PHE 1639CO 0.70 0.30 0.11 -0.65 -0.05 0.00 0.00 175.22 175.62 3k8x s GLN 1640N -1.78 2.76 -0.12 1.99 -1.52 0.17 -4.94 119.66 116.21 3k8x s GLN 1640Ca 0.47 -0.98 -0.05 0.00 -1.95 0.00 0.00 55.36 52.85 3k8x s GLN 1640Cb -0.21 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.01 3k8x s GLN 1640CO 0.26 0.46 0.05 0.08 -0.25 0.00 0.00 175.29 175.89 3k8x s VAL 1641N -1.83 4.71 -1.01 1.09 1.01 -1.26 -1.03 120.40 122.08 3k8x s VAL 1641Ca 0.30 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 3k8x s VAL 1641Cb -0.09 -3.04 0.24 0.00 0.00 0.00 0.00 36.38 33.48 3k8x s VAL 1641CO 0.22 0.56 1.02 0.00 0.00 0.00 0.00 175.10 176.90 3k8x s ALA 1642N -0.51 4.36 0.61 5.51 0.00 -0.17 -4.96 121.76 126.61 3k8x s ALA 1642Ca 0.10 -3.55 -0.19 0.00 0.00 0.00 0.00 51.96 48.31 3k8x s ALA 1642Cb -0.12 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 3k8x s ALA 1642CO 0.02 -2.33 1.31 -1.58 0.00 0.00 0.00 175.76 173.19 3k8x s TRP 1643N -0.28 2.15 0.18 0.00 0.52 -1.26 -1.05 118.94 119.20 3k8x s TRP 1643Ca 0.27 1.45 -0.10 0.00 0.02 0.00 0.00 56.10 57.74 3k8x s TRP 1643Cb -0.09 -3.73 0.08 0.00 -1.15 0.00 0.00 33.47 28.58 3k8x s TRP 1643CO -0.08 -2.91 1.67 -0.91 0.02 0.00 0.00 176.95 174.74 3k8x h ASN 1644N 0.85 0.99 -2.58 2.95 -0.26 -1.80 -3.42 115.58 112.31 3k8x h ASN 1644Ca -0.51 -0.26 -0.40 0.00 -0.56 0.00 0.00 56.30 54.57 3k8x h ASN 1644Cb 1.32 -0.26 -0.37 0.00 -1.06 0.00 0.00 38.32 37.95 3k8x h ASN 1644CO 0.54 1.00 -0.69 -0.62 -1.06 0.00 0.00 177.43 176.61 3k8x s ASP 1645N -6.42 2.17 0.51 5.81 2.15 -1.26 -5.03 116.67 114.59 3k8x s ASP 1645Ca -0.12 -0.70 0.29 0.00 0.43 0.00 0.00 52.55 52.45 3k8x s ASP 1645Cb 0.13 0.12 1.40 0.00 -0.30 0.00 0.00 42.92 44.28 3k8x s ASP 1645CO 0.84 -0.38 1.87 0.00 -0.17 0.00 0.00 175.17 177.33 3k8x h ALA 1646N 8.34 2.73 -0.19 3.66 0.00 -1.97 -0.44 119.26 131.39 3k8x h ALA 1646Ca -0.17 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3k8x h ALA 1646Cb 1.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3k8x h ALA 1646CO 0.34 -1.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.21 3k8x h ALA 1647N 1.55 0.31 -3.49 0.00 0.00 -1.99 -3.41 119.26 112.23 3k8x h ALA 1647Ca 0.46 -0.44 -0.65 0.00 0.00 0.00 0.00 54.91 54.28 3k8x h ALA 1647Cb 1.67 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.01 3k8x h ALA 1647CO -0.05 0.38 -0.65 -0.80 0.00 0.00 0.00 179.25 178.12 3k8x s ASN 1648N -6.56 4.59 0.08 0.00 0.01 -0.17 -4.99 114.94 107.90 3k8x s ASN 1648Ca -0.13 -2.60 -0.29 0.00 -0.71 0.00 0.00 52.86 49.13 3k8x s ASN 1648Cb 0.07 -1.65 -0.16 0.00 0.41 0.00 0.00 41.25 39.92 3k8x s ASN 1648CO 0.82 -0.31 1.66 -0.65 -1.51 0.00 0.00 177.10 177.11 3k8x h PRO 1649N 7.06 -0.54 0.00 -0.60 0.11 -1.80 -3.07 132.00 133.16 3k8x h PRO 1649Ca -0.06 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3k8x h PRO 1649Cb 0.95 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k8x h PRO 1649CO 0.62 -0.36 0.33 -0.40 -0.21 0.00 0.00 178.00 177.98 3k8x n ASP 1650N -5.35 0.00 -1.09 -2.05 5.75 -1.26 -0.08 116.55 112.47 3k8x n ASP 1650Ca -0.10 0.11 0.11 0.00 -0.01 0.00 0.00 54.79 54.89 3k8x n ASP 1650Cb 0.25 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.55 3k8x n ASP 1650CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3k8x n LYS 1651N -0.89 2.45 0.00 0.11 0.00 -1.16 -5.08 118.16 113.59 3k8x n LYS 1651Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 58.31 56.06 3k8x n LYS 1651Cb 0.33 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.87 3k8x n LYS 1651CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3k8x n GLY 1652N 1.38 0.78 3.36 3.14 0.00 0.89 -4.86 105.19 109.88 3k8x n GLY 1652Ca 0.19 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 3k8x n GLY 1652CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k8x s PHE 1653N -1.08 0.79 -0.09 1.61 -0.71 -1.26 -2.41 117.98 114.83 3k8x s PHE 1653Ca 0.00 -1.08 0.06 0.00 -1.04 0.00 0.00 56.93 54.86 3k8x s PHE 1653Cb 0.00 -0.24 -0.10 0.00 -1.21 0.00 0.00 43.02 41.48 3k8x s PHE 1653CO 0.00 -0.78 -0.00 1.04 -1.34 0.00 0.00 175.22 174.14 3k8x n GLN 1654N -0.30 2.03 -3.72 1.99 1.13 -0.21 -4.84 117.38 113.46 3k8x n GLN 1654Ca -0.00 0.01 0.03 0.00 -1.94 0.00 0.00 57.00 55.10 3k8x n GLN 1654Cb 0.64 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.78 3k8x n GLN 1654CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3k8x s TYR 1655N -2.21 -0.01 0.07 1.08 -0.85 -1.26 -5.02 117.35 109.17 3k8x s TYR 1655Ca -0.07 -0.05 0.05 0.00 -0.52 0.00 0.00 57.07 56.48 3k8x s TYR 1655Cb 0.03 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 3k8x s TYR 1655CO 0.32 -0.14 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.67 3k8x s LEU 1656N -3.28 3.36 0.17 -3.49 1.43 -1.26 -1.00 118.68 114.61 3k8x s LEU 1656Ca 0.20 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3k8x s LEU 1656Cb 0.04 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3k8x s LEU 1656CO -0.04 0.20 0.38 -0.72 0.23 0.00 0.00 176.35 176.39 3k8x s TYR 1657N -1.23 0.18 0.08 0.29 1.13 -0.20 -1.38 117.35 116.23 3k8x s TYR 1657Ca 0.23 -0.54 0.04 0.00 -1.41 0.00 0.00 57.07 55.39 3k8x s TYR 1657Cb -0.11 0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 3k8x s TYR 1657CO 0.15 -0.79 0.01 -0.51 -2.51 0.00 0.00 175.55 171.90 3k8x s LEU 1658N -2.93 3.51 0.00 -3.49 1.43 -0.06 0.45 118.68 117.60 3k8x s LEU 1658Ca 0.13 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 3k8x s LEU 1658Cb 0.02 -2.22 0.10 0.00 0.03 0.00 0.00 46.19 44.11 3k8x s LEU 1658CO -0.02 0.18 0.58 0.35 0.23 0.00 0.00 176.35 177.68 3k8x n THR 1659N 0.61 0.00 0.14 5.49 -2.24 -1.26 -1.40 114.28 115.62 3k8x n THR 1659Ca -0.11 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3k8x n THR 1659Cb 0.52 -1.74 0.17 0.00 -2.10 0.00 0.00 70.33 67.17 3k8x n THR 1659CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3k8x h SER 1660N -0.75 0.00 0.34 3.42 0.87 -2.00 -2.82 113.55 112.61 3k8x h SER 1660Ca -0.19 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.12 3k8x h SER 1660Cb 0.53 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3k8x h SER 1660CO 0.14 0.59 -1.05 -0.08 -0.53 0.00 0.00 176.83 175.89 3k8x h GLU 1661N 0.00 0.43 0.20 2.24 4.81 -1.97 -2.77 114.58 117.53 3k8x h GLU 1661Ca -0.01 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3k8x h GLU 1661Cb 1.16 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 3k8x h GLU 1661CO 0.08 1.18 -0.15 0.78 -0.73 0.00 0.00 179.01 180.17 3k8x h GLY 1662N 1.11 -0.36 1.06 1.92 0.00 -1.88 -0.80 103.07 104.13 3k8x h GLY 1662Ca -0.11 0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.52 3k8x h GLY 1662CO 0.18 -0.15 0.35 1.98 0.00 0.00 0.00 176.54 178.90 3k8x h MET 1663N -0.36 0.00 0.06 4.80 4.05 -1.54 -2.28 114.93 119.67 3k8x h MET 1663Ca -0.01 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 3k8x h MET 1663Cb 0.32 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3k8x h MET 1663CO -0.01 0.00 -0.61 0.93 0.23 0.00 0.00 176.91 177.46 3k8x h GLU 1664N 0.00 0.30 -0.76 0.39 4.39 -1.10 -2.31 114.58 115.50 3k8x h GLU 1664Ca 0.21 -0.41 0.12 0.00 0.34 0.00 0.00 59.36 59.62 3k8x h GLU 1664Cb 0.90 0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.60 3k8x h GLU 1664CO -0.00 1.13 0.35 1.15 -1.16 0.00 0.00 179.01 180.48 3k8x h THR 1665N -0.33 0.74 -0.44 1.13 2.02 -0.67 0.30 112.91 115.67 3k8x h THR 1665Ca -0.09 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 3k8x h THR 1665Cb 1.39 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3k8x h THR 1665CO 0.12 0.10 0.13 -0.07 0.37 0.00 0.00 175.52 176.16 3k8x h LEU 1666N 0.54 0.65 -0.83 2.58 3.38 -1.47 -1.27 115.31 118.89 3k8x h LEU 1666Ca 0.40 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3k8x h LEU 1666Cb 0.54 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3k8x h LEU 1666CO -0.34 0.69 0.09 0.50 0.09 0.00 0.00 178.44 179.47 3k8x h LYS 1667N 0.57 0.97 -0.47 1.13 3.64 -0.77 0.22 116.57 121.86 3k8x h LYS 1667Ca 0.14 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3k8x h LYS 1667Cb 0.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3k8x h LYS 1667CO -0.00 0.90 0.26 -0.22 -2.27 0.00 0.00 179.45 178.11 3k8x h LYS 1668N 0.91 0.66 -0.30 1.90 1.63 -0.24 -2.69 116.57 118.44 3k8x h LYS 1668Ca 0.19 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3k8x h LYS 1668Cb 0.41 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 3k8x h LYS 1668CO 0.01 0.52 0.00 1.19 -3.45 0.00 0.00 179.45 177.72 3k8x n PHE 1669N -4.67 0.37 -3.59 1.91 3.72 -0.50 -4.91 117.46 109.79 3k8x n PHE 1669Ca 0.02 -0.18 -0.20 0.00 -0.05 0.00 0.00 57.45 57.03 3k8x n PHE 1669Cb 0.08 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.66 3k8x n PHE 1669CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3k8x n ASP 1670N 0.27 -1.87 -2.41 4.37 2.03 -0.80 -4.95 116.55 113.20 3k8x n ASP 1670Ca 0.09 -0.76 -0.02 0.00 0.52 0.00 0.00 54.79 54.62 3k8x n ASP 1670Cb 0.24 -4.42 0.05 0.00 -0.72 0.00 0.00 41.12 36.27 3k8x n ASP 1670CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3k8x n LYS 1671N -4.17 1.64 0.25 -0.67 5.02 0.72 -4.87 118.16 116.08 3k8x n LYS 1671Ca -0.28 -3.30 0.09 0.00 -2.02 0.00 0.00 58.31 52.80 3k8x n LYS 1671Cb 0.67 -1.39 0.64 0.00 -0.02 0.00 0.00 35.03 34.93 3k8x n LYS 1671CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3k8x h GLU 1672N 2.20 0.00 0.00 1.97 5.08 -1.91 -2.57 114.58 119.34 3k8x h GLU 1672Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3k8x h GLU 1672Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3k8x h GLU 1672CO 0.23 0.09 0.00 -0.91 -1.00 0.00 0.00 179.01 177.42 3k8x h ASN 1673N 0.00 0.00 0.18 1.42 -0.26 -1.93 -3.31 115.58 111.67 3k8x h ASN 1673Ca -0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3k8x h ASN 1673Cb 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 3k8x h ASN 1673CO 0.01 0.00 -0.00 0.28 -1.06 0.00 0.00 177.43 176.66 3k8x h SER 1674N 0.00 0.00 -4.96 5.81 0.02 -1.72 -3.42 113.55 109.28 3k8x h SER 1674Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 3k8x h SER 1674Cb 0.30 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.65 3k8x h SER 1674CO 0.00 0.00 -0.70 0.68 -1.14 0.00 0.00 176.83 175.67 3k8x s VAL 1675N -4.10 0.29 -0.22 2.27 -7.23 -1.25 -0.00 120.40 110.15 3k8x s VAL 1675Ca -0.04 -1.26 -0.05 0.00 -1.81 0.00 0.00 61.98 58.83 3k8x s VAL 1675Cb 0.12 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 3k8x s VAL 1675CO 0.45 -0.63 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.83 3k8x s LEU 1676N -1.98 3.02 0.23 1.32 1.43 0.43 -4.90 118.68 118.22 3k8x s LEU 1676Ca -0.07 -0.34 0.10 0.00 -1.03 0.00 0.00 54.13 52.80 3k8x s LEU 1676Cb -0.04 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3k8x s LEU 1676CO -0.03 -0.02 -0.19 0.42 0.23 0.00 0.00 176.35 176.76 3k8x s THR 1677N 1.46 2.20 -0.17 5.49 -4.23 -1.26 0.45 115.64 119.59 3k8x s THR 1677Ca 0.05 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3k8x s THR 1677Cb -0.14 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.58 3k8x s THR 1677CO -0.02 -0.38 -0.10 -0.70 -0.54 0.00 0.00 174.62 172.88 3k8x s GLU 1678N -3.29 1.97 0.05 3.99 2.12 0.11 -4.90 118.70 118.74 3k8x s GLU 1678Ca 0.25 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 3k8x s GLU 1678Cb -0.05 -2.16 -0.08 0.00 0.26 0.00 0.00 34.13 32.10 3k8x s GLU 1678CO 0.11 -0.35 1.77 0.50 -0.54 0.00 0.00 175.26 176.75 3k8x s ARG 1679N 1.50 4.17 0.35 4.30 3.52 -1.26 -1.21 118.95 130.31 3k8x s ARG 1679Ca 0.02 2.43 0.04 0.00 -0.13 0.00 0.00 55.73 58.08 3k8x s ARG 1679Cb -0.15 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 3k8x s ARG 1679CO -0.09 -0.83 0.07 0.99 -0.81 0.00 0.00 175.30 174.63 3k8x s THR 1680N 3.38 1.05 -0.11 4.11 2.01 0.15 -4.96 115.64 121.26 3k8x s THR 1680Ca 0.79 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 3k8x s THR 1680Cb -0.41 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.47 3k8x s THR 1680CO 0.35 0.00 0.03 0.68 -0.69 0.00 0.00 174.62 174.99 3k8x s VAL 1681N -3.27 0.28 -0.10 3.82 -7.23 -1.26 -1.00 120.40 111.63 3k8x s VAL 1681Ca 0.33 -0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.45 3k8x s VAL 1681Cb 0.07 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 36.42 3k8x s VAL 1681CO 0.15 0.05 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.26 3k8x s ILE 1682N 1.99 1.13 -1.29 -0.62 -1.09 -1.11 -4.80 121.20 115.41 3k8x s ILE 1682Ca 0.03 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 3k8x s ILE 1682Cb -0.14 -1.09 0.00 0.00 -1.58 0.00 0.00 42.46 39.65 3k8x s ILE 1682CO -0.06 0.37 0.79 0.59 -1.23 0.00 0.00 174.94 175.40 3k8x n ASN 1683N 4.49 -1.58 0.00 3.58 5.03 -1.26 -3.51 115.26 122.01 3k8x n ASN 1683Ca -0.17 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.52 3k8x n ASN 1683Cb 0.51 -4.33 0.00 0.00 -1.02 0.00 0.00 39.78 34.93 3k8x n ASN 1683CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k8x n GLY 1684N -1.48 2.96 3.34 7.41 0.00 -1.26 -5.02 105.19 111.14 3k8x n GLY 1684Ca -0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3k8x n GLY 1684CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k8x s GLU 1685N -0.21 1.28 0.06 1.61 2.56 -1.23 -5.10 118.70 117.67 3k8x s GLU 1685Ca 0.00 -1.36 -0.31 0.00 0.00 0.00 0.00 54.97 53.30 3k8x s GLU 1685Cb 0.00 -1.44 -0.06 0.00 2.00 0.00 0.00 34.13 34.63 3k8x s GLU 1685CO 0.00 0.31 1.27 -1.83 -0.56 0.00 0.00 175.26 174.44 3k8x s GLU 1686N -2.54 4.38 -0.12 4.30 -1.05 -1.26 -2.77 118.70 119.64 3k8x s GLU 1686Ca 0.14 1.86 -0.02 0.00 -0.15 0.00 0.00 54.97 56.79 3k8x s GLU 1686Cb -0.07 -3.37 -0.03 0.00 -0.44 0.00 0.00 34.13 30.22 3k8x s GLU 1686CO 0.06 -0.35 -0.03 1.03 0.95 0.00 0.00 175.26 176.92 3k8x s ARG 1687N 1.34 3.32 -0.58 -4.83 1.81 -0.17 -4.45 118.95 115.39 3k8x s ARG 1687Ca 0.60 -0.49 -0.07 0.00 -1.72 0.00 0.00 55.73 54.06 3k8x s ARG 1687Cb -0.31 -2.83 0.15 0.00 -0.45 0.00 0.00 34.95 31.51 3k8x s ARG 1687CO 0.28 0.45 0.44 -0.06 -0.68 0.00 0.00 175.30 175.74 3k8x s PHE 1688N -0.21 3.50 0.17 -0.53 0.40 -0.49 0.31 117.98 121.12 3k8x s PHE 1688Ca 0.04 -2.23 -0.32 0.00 -0.60 0.00 0.00 56.93 53.82 3k8x s PHE 1688Cb -0.13 -3.43 -0.11 0.00 0.51 0.00 0.00 43.02 39.87 3k8x s PHE 1688CO 0.02 -0.94 1.74 0.08 0.70 0.00 0.00 175.22 176.82 3k8x s VAL 1689N 0.65 2.32 -0.36 -0.44 1.01 -0.35 -0.88 120.40 122.36 3k8x s VAL 1689Ca 0.12 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 3k8x s VAL 1689Cb -0.21 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3k8x s VAL 1689CO -0.03 0.00 1.18 -0.63 0.00 0.00 0.00 175.10 175.62 3k8x s ILE 1690N 1.80 4.28 -0.10 2.22 1.01 -0.48 -0.71 121.20 129.23 3k8x s ILE 1690Ca 0.76 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.88 3k8x s ILE 1690Cb -0.47 -4.37 -0.24 0.00 0.01 0.00 0.00 42.46 37.38 3k8x s ILE 1690CO 0.33 -0.63 0.45 0.29 0.00 0.00 0.00 174.94 175.39 3k8x n LYS 1691N 7.32 0.69 -3.71 2.79 4.76 0.17 -4.76 118.16 125.42 3k8x n LYS 1691Ca 0.13 0.26 -0.12 0.00 -2.87 0.00 0.00 58.31 55.71 3k8x n LYS 1691Cb 0.47 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.84 3k8x n LYS 1691CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3k8x s THR 1692N -2.57 -0.01 -0.22 -0.18 2.01 -1.06 -4.99 115.64 108.63 3k8x s THR 1692Ca -0.14 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.74 3k8x s THR 1692Cb 0.07 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 3k8x s THR 1692CO 0.79 0.01 0.38 -0.63 -0.69 0.00 0.00 174.62 174.48 3k8x s ILE 1693N 0.67 5.20 -0.26 1.82 1.01 -1.26 -0.43 121.20 127.95 3k8x s ILE 1693Ca -0.04 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 3k8x s ILE 1693Cb -0.05 -3.71 -0.15 0.00 0.01 0.00 0.00 42.46 38.56 3k8x s ILE 1693CO -0.05 0.24 -0.26 -0.38 0.00 0.00 0.00 174.94 174.50 3k8x n ILE 1694N 4.46 1.52 0.00 2.92 5.41 1.00 -4.98 119.36 129.69 3k8x n ILE 1694Ca -0.09 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.20 3k8x n ILE 1694Cb 0.51 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 3k8x n ILE 1694CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k8x n GLY 1695N 1.71 -2.70 0.09 7.39 0.00 -0.42 -4.88 105.19 106.39 3k8x n GLY 1695Ca -0.50 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 3k8x n GLY 1695CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k8x n SER 1696N -1.57 0.87 -4.70 1.61 3.41 -1.26 -4.64 113.62 107.34 3k8x n SER 1696Ca 0.00 0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 58.58 3k8x n SER 1696Cb 0.00 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3k8x n SER 1696CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k8x s GLU 1697N -2.88 4.46 0.43 4.33 2.12 -1.26 -5.03 118.70 120.87 3k8x s GLU 1697Ca -0.03 1.58 -0.23 0.00 0.36 0.00 0.00 54.97 56.65 3k8x s GLU 1697Cb 0.09 -3.45 -0.08 0.00 0.26 0.00 0.00 34.13 30.95 3k8x s GLU 1697CO 0.81 -0.22 1.10 0.34 -0.54 0.00 0.00 175.26 176.75 3k8x s ASP 1698N 1.12 6.46 0.00 -1.70 3.68 -1.26 -4.45 116.67 120.52 3k8x s ASP 1698Ca 0.55 2.16 0.00 0.00 2.13 0.00 0.00 52.55 57.38 3k8x s ASP 1698Cb -0.24 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.64 3k8x s ASP 1698CO 0.26 -0.71 0.00 0.61 0.13 0.00 0.00 175.17 175.46 3k8x n GLY 1699N 0.35 1.66 0.14 2.66 0.00 -1.26 -4.98 105.19 103.76 3k8x n GLY 1699Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3k8x n GLY 1699CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k8x n LEU 1700N 0.00 2.67 0.00 0.99 4.77 -1.26 -4.11 117.00 120.06 3k8x n LEU 1700Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3k8x n LEU 1700Cb 0.00 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 3k8x n LEU 1700CO 0.00 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 3k8x n GLY 1701N 2.14 3.24 0.33 -0.72 0.00 -1.26 -2.24 105.19 106.67 3k8x n GLY 1701Ca -0.43 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 45.46 3k8x n GLY 1701CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3k8x h VAL 1702N 0.00 0.56 0.00 1.61 -1.51 -1.97 0.98 116.25 115.92 3k8x h VAL 1702Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 3k8x h VAL 1702Cb 0.00 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 3k8x h VAL 1702CO 0.00 0.00 -0.19 1.05 -1.23 0.00 0.00 177.57 177.20 3k8x h GLU 1703N 0.00 0.00 0.00 5.19 9.09 -1.97 -0.86 114.58 126.02 3k8x h GLU 1703Ca 0.08 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.35 3k8x h GLU 1703Cb 0.39 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 3k8x h GLU 1703CO -0.00 0.19 -0.65 0.00 0.05 0.00 0.00 179.01 178.60 3k8x h LEU 1705N 0.00 0.65 -0.13 0.00 3.38 -1.15 -2.35 115.31 115.72 3k8x h LEU 1705Ca -0.01 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3k8x h LEU 1705Cb 1.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3k8x h LEU 1705CO 0.08 1.05 0.08 -0.09 0.09 0.00 0.00 178.44 179.66 3k8x h ARG 1706N 0.27 0.17 -0.76 1.13 2.43 -1.23 -1.57 114.38 114.82 3k8x h ARG 1706Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3k8x h ARG 1706Cb 0.92 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 3k8x h ARG 1706CO 0.08 0.11 0.49 0.78 -1.51 0.00 0.00 179.97 179.92 3k8x h GLY 1707N 0.17 1.07 1.36 2.80 0.00 -1.50 -0.86 103.07 106.12 3k8x h GLY 1707Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 3k8x h GLY 1707CO -0.01 0.40 -0.33 1.76 0.00 0.00 0.00 176.54 178.36 3k8x h SER 1708N 1.03 0.75 -0.44 0.19 0.02 -1.18 -2.59 113.55 111.33 3k8x h SER 1708Ca 0.28 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 3k8x h SER 1708Cb -0.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 3k8x h SER 1708CO -0.06 1.02 -0.22 1.23 -1.14 0.00 0.00 176.83 177.66 3k8x h GLY 1709N 0.96 1.03 0.40 -3.77 0.00 -0.56 -0.43 103.07 100.71 3k8x h GLY 1709Ca 0.06 -0.92 0.06 0.00 0.00 0.00 0.00 47.33 46.54 3k8x h GLY 1709CO 0.07 0.83 -0.07 -2.00 0.00 0.00 0.00 176.54 175.38 3k8x h LEU 1710N 0.82 -0.26 -0.22 3.11 5.85 -1.06 -1.06 115.31 122.49 3k8x h LEU 1710Ca 0.11 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3k8x h LEU 1710Cb 0.79 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3k8x h LEU 1710CO 0.07 -0.09 -0.44 0.16 -0.34 0.00 0.00 178.44 177.80 3k8x h ILE 1711N 0.01 0.79 -0.15 4.05 3.07 -1.25 -0.25 117.51 123.78 3k8x h ILE 1711Ca 0.15 -1.97 -0.02 0.00 1.55 0.00 0.00 64.86 64.57 3k8x h ILE 1711Cb 0.22 2.28 -0.01 0.00 -0.27 0.00 0.00 36.82 39.05 3k8x h ILE 1711CO -0.31 0.43 0.03 0.00 -1.05 0.00 0.00 178.15 177.26 3k8x h ALA 1712N 1.56 0.20 -0.56 0.16 0.00 -0.71 -1.14 119.26 118.78 3k8x h ALA 1712Ca -0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3k8x h ALA 1712Cb 1.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3k8x h ALA 1712CO 0.06 -0.15 -0.03 0.78 0.00 0.00 0.00 179.25 179.90 3k8x h GLY 1713N 0.05 1.06 0.81 0.00 0.00 -1.06 -0.84 103.07 103.09 3k8x h GLY 1713Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 47.33 46.64 3k8x h GLY 1713CO 0.00 0.72 0.59 0.00 0.00 0.00 0.00 176.54 177.86 3k8x h ALA 1714N 1.06 1.25 0.03 3.60 0.00 -0.89 -1.92 119.26 122.38 3k8x h ALA 1714Ca 0.16 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 3k8x h ALA 1714Cb 0.57 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.08 3k8x h ALA 1714CO 0.03 0.41 -1.07 1.15 0.00 0.00 0.00 179.25 179.78 3k8x h THR 1715N 1.12 1.29 -0.62 0.00 2.02 -0.99 -0.97 112.91 114.75 3k8x h THR 1715Ca 0.38 -2.28 0.12 0.00 0.77 0.00 0.00 66.41 65.40 3k8x h THR 1715Cb 0.08 2.47 -0.09 0.00 -1.74 0.00 0.00 68.15 68.87 3k8x h THR 1715CO -0.14 0.70 0.12 -1.28 0.37 0.00 0.00 175.52 175.29 3k8x h SER 1716N 0.34 -0.02 -0.35 4.18 0.87 -0.99 -2.07 113.55 115.52 3k8x h SER 1716Ca -0.14 0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 3k8x h SER 1716Cb 1.73 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 3k8x h SER 1716CO 0.21 -0.01 -0.41 0.03 -0.53 0.00 0.00 176.83 176.12 3k8x h ARG 1717N 0.25 0.91 -0.59 2.24 3.08 -1.24 -3.24 114.38 115.78 3k8x h ARG 1717Ca 0.33 -0.49 0.06 0.00 0.07 0.00 0.00 59.98 59.95 3k8x h ARG 1717Cb 0.51 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3k8x h ARG 1717CO -0.43 1.14 0.29 0.00 -1.07 0.00 0.00 179.97 179.91 3k8x h ALA 1718N 0.78 0.77 -0.86 0.04 0.00 -0.70 -2.30 119.26 116.99 3k8x h ALA 1718Ca 0.05 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.17 3k8x h ALA 1718Cb 1.01 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3k8x h ALA 1718CO 0.10 -0.06 0.57 -0.92 0.00 0.00 0.00 179.25 178.93 3k8x h TYR 1719N 0.55 0.59 -0.00 0.00 5.03 -1.42 0.30 116.97 122.01 3k8x h TYR 1719Ca 0.27 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.60 3k8x h TYR 1719Cb 0.21 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.31 3k8x h TYR 1719CO -0.11 0.19 -0.08 0.72 -1.32 0.00 0.00 178.16 177.56 3k8x n HIS 1720N -4.52 0.00 -0.01 -3.82 8.25 -0.88 -4.17 115.22 110.08 3k8x n HIS 1720Ca 0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.63 3k8x n HIS 1720Cb 0.61 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.53 3k8x n HIS 1720CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3k8x n ASP 1721N -1.00 3.55 -4.11 0.41 4.64 0.80 -4.92 116.55 115.92 3k8x n ASP 1721Ca 0.15 -0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.46 3k8x n ASP 1721Cb 0.26 -0.02 -0.09 0.00 -1.04 0.00 0.00 41.12 40.23 3k8x n ASP 1721CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3k8x s ILE 1722N -2.02 0.10 -0.03 5.18 -4.36 0.21 -4.80 121.20 115.48 3k8x s ILE 1722Ca -0.01 -1.80 -0.30 0.00 -0.26 0.00 0.00 60.65 58.27 3k8x s ILE 1722Cb 0.00 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 3k8x s ILE 1722CO 0.02 -0.46 1.54 0.12 0.24 0.00 0.00 174.94 176.40 3k8x s PHE 1723N -4.03 2.40 -0.01 1.37 5.36 -1.26 -4.37 117.98 117.44 3k8x s PHE 1723Ca 0.22 0.48 0.08 0.00 -0.96 0.00 0.00 56.93 56.75 3k8x s PHE 1723Cb 0.07 -3.80 -0.02 0.00 -0.34 0.00 0.00 43.02 38.92 3k8x s PHE 1723CO 0.01 -3.21 -0.25 0.95 -1.46 0.00 0.00 175.22 171.26 3k8x s THR 1724N 3.29 1.99 0.02 0.12 -4.23 -1.26 -1.12 115.64 114.45 3k8x s THR 1724Ca 0.69 -1.10 -0.15 0.00 -1.18 0.00 0.00 61.69 59.94 3k8x s THR 1724Cb -0.32 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3k8x s THR 1724CO 0.27 0.54 0.33 -0.51 -0.54 0.00 0.00 174.62 174.71 3k8x s ILE 1725N -0.61 0.07 -0.01 2.99 2.07 -1.05 -4.21 121.20 120.45 3k8x s ILE 1725Ca 0.10 -0.56 0.04 0.00 -1.41 0.00 0.00 60.65 58.81 3k8x s ILE 1725Cb -0.10 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 3k8x s ILE 1725CO -0.01 -0.31 -0.12 -0.89 -1.91 0.00 0.00 174.94 171.71 3k8x s THR 1726N -2.03 0.93 -0.15 4.00 2.01 0.03 -1.06 115.64 119.37 3k8x s THR 1726Ca -0.09 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 3k8x s THR 1726Cb -0.03 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 3k8x s THR 1726CO 0.00 0.26 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.86 3k8x s LEU 1727N -0.26 2.80 -0.36 4.42 2.96 -0.08 -0.78 118.68 127.37 3k8x s LEU 1727Ca 0.04 -0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 53.48 3k8x s LEU 1727Cb -0.05 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 3k8x s LEU 1727CO -0.00 0.14 0.37 -0.69 -1.32 0.00 0.00 176.35 174.85 3k8x s VAL 1728N 0.52 5.16 -0.26 1.68 1.01 -0.19 -0.50 120.40 127.81 3k8x s VAL 1728Ca -0.08 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.86 3k8x s VAL 1728Cb -0.15 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3k8x s VAL 1728CO 0.04 -0.18 0.24 1.07 0.00 0.00 0.00 175.10 176.27 3k8x n THR 1729N 5.28 0.00 0.00 3.92 5.66 -0.04 -1.94 114.28 127.15 3k8x n THR 1729Ca -0.09 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3k8x n THR 1729Cb 0.49 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 3k8x n THR 1729CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k8x s ARG 1731N -1.52 0.27 -0.06 0.00 1.70 -1.26 -4.12 118.95 113.96 3k8x s ARG 1731Ca 0.00 -0.08 -0.01 0.00 -0.47 0.00 0.00 55.73 55.17 3k8x s ARG 1731Cb 0.00 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.53 3k8x s ARG 1731CO 0.00 -0.12 -0.00 0.45 -1.08 0.00 0.00 175.30 174.55 3k8x s SER 1732N -2.03 1.36 -0.04 -2.89 0.15 -0.54 -0.53 113.70 109.18 3k8x s SER 1732Ca 0.09 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.72 3k8x s SER 1732Cb -0.01 -0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.88 3k8x s SER 1732CO -0.04 -0.17 -0.22 -0.69 1.20 0.00 0.00 173.24 173.32 3k8x s VAL 1733N 1.73 1.83 0.00 4.45 1.01 -1.25 -0.72 120.40 127.45 3k8x s VAL 1733Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3k8x s VAL 1733Cb -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3k8x s VAL 1733CO -0.04 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3k8x n GLY 1734N 2.90 3.56 0.38 4.51 0.00 0.11 -0.98 105.19 115.67 3k8x n GLY 1734Ca -0.17 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3k8x n GLY 1734CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k8x h ILE 1735N 0.00 0.80 -0.43 -0.61 6.09 -1.93 -0.91 117.51 120.51 3k8x h ILE 1735Ca 0.00 -0.21 0.08 0.00 -1.37 0.00 0.00 64.86 63.36 3k8x h ILE 1735Cb 0.00 0.15 -0.07 0.00 0.47 0.00 0.00 36.82 37.37 3k8x h ILE 1735CO 0.00 0.11 0.02 1.23 -3.07 0.00 0.00 178.15 176.44 3k8x h GLY 1736N 0.60 0.46 1.15 8.18 0.00 -1.40 0.15 103.07 112.20 3k8x h GLY 1736Ca 0.44 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.72 3k8x h GLY 1736CO -0.19 -0.10 0.03 0.00 0.00 0.00 0.00 176.54 176.28 3k8x h ALA 1737N 1.37 0.91 -0.57 3.60 0.00 -1.28 -2.62 119.26 120.68 3k8x h ALA 1737Ca 0.22 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3k8x h ALA 1737Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3k8x h ALA 1737CO -0.34 0.65 0.03 1.88 0.00 0.00 0.00 179.25 181.47 3k8x h TYR 1738N 0.95 1.06 -0.95 0.00 -1.99 -0.95 -2.66 116.97 112.43 3k8x h TYR 1738Ca 0.18 -0.17 0.12 0.00 2.00 0.00 0.00 58.73 60.85 3k8x h TYR 1738Cb 0.51 -0.28 -0.07 0.00 2.00 0.00 0.00 36.73 38.88 3k8x h TYR 1738CO 0.03 0.95 0.60 -0.07 -0.00 0.00 0.00 178.16 179.68 3k8x h LEU 1739N 0.87 0.84 0.09 3.88 3.38 -0.62 0.35 115.31 124.10 3k8x h LEU 1739Ca 0.16 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3k8x h LEU 1739Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3k8x h LEU 1739CO 0.02 0.46 -0.13 0.58 0.09 0.00 0.00 178.44 179.47 3k8x h VAL 1740N 0.91 0.70 -0.46 1.22 2.07 -1.12 -1.66 116.25 117.91 3k8x h VAL 1740Ca 0.46 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.94 3k8x h VAL 1740Cb 0.50 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3k8x h VAL 1740CO -0.22 0.00 0.12 -0.09 0.02 0.00 0.00 177.57 177.40 3k8x h ARG 1741N -0.26 0.73 -0.14 1.57 9.65 -1.10 -2.87 114.38 121.96 3k8x h ARG 1741Ca 0.02 -0.17 -0.06 0.00 -1.10 0.00 0.00 59.98 58.67 3k8x h ARG 1741Cb 0.27 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3k8x h ARG 1741CO -0.06 0.71 -0.17 -0.07 2.80 0.00 0.00 179.97 183.19 3k8x h LEU 1742N 0.61 0.22 0.00 3.80 3.38 -0.20 0.31 115.31 123.43 3k8x h LEU 1742Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k8x h LEU 1742Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3k8x h LEU 1742CO -0.00 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.55 3k8x n GLY 1743N -0.79 -1.39 5.00 0.83 0.00 -0.64 -4.45 105.19 103.76 3k8x n GLY 1743Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3k8x n GLY 1743CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k8x n GLN 1744N -1.43 0.00 -2.40 1.61 1.13 0.11 -4.48 117.38 111.91 3k8x n GLN 1744Ca 0.09 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.72 3k8x n GLN 1744Cb 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.62 3k8x n GLN 1744CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k8x s ARG 1745N 0.00 4.19 -0.02 -1.09 0.52 -1.26 -4.83 118.95 116.47 3k8x s ARG 1745Ca 0.00 1.65 -0.00 0.00 -0.52 0.00 0.00 55.73 56.85 3k8x s ARG 1745Cb 0.00 -3.79 0.02 0.00 0.52 0.00 0.00 34.95 31.70 3k8x s ARG 1745CO 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 175.30 174.59 3k8x s ALA 1746N 3.63 0.00 -0.14 2.13 0.00 -1.26 -0.79 121.76 125.34 3k8x s ALA 1746Ca 0.56 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3k8x s ALA 1746Cb -0.22 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3k8x s ALA 1746CO 0.16 -0.06 -0.21 0.42 0.00 0.00 0.00 175.76 176.06 3k8x s ILE 1747N 0.59 2.12 -0.23 0.00 1.01 0.04 -0.16 121.20 124.56 3k8x s ILE 1747Ca -0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 3k8x s ILE 1747Cb -0.07 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3k8x s ILE 1747CO -0.02 0.55 0.01 -1.58 0.00 0.00 0.00 174.94 173.90 3k8x s GLN 1748N 0.77 3.51 0.17 2.79 0.74 0.15 -1.02 119.66 126.76 3k8x s GLN 1748Ca -0.08 -0.56 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 3k8x s GLN 1748Cb -0.16 -3.14 -0.08 0.00 1.10 0.00 0.00 33.01 30.72 3k8x s GLN 1748CO -0.01 -0.18 1.32 0.08 -0.55 0.00 0.00 175.29 175.95 3k8x s VAL 1749N 1.51 3.29 0.22 1.34 1.01 -0.82 -1.68 120.40 125.28 3k8x s VAL 1749Ca 0.06 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 3k8x s VAL 1749Cb -0.15 -3.65 -0.15 0.00 0.00 0.00 0.00 36.38 32.43 3k8x s VAL 1749CO -0.00 0.13 0.97 -0.62 0.00 0.00 0.00 175.10 175.58 3k8x n GLU 1750N 3.06 0.99 -0.93 2.72 1.02 0.18 -1.94 120.64 125.74 3k8x n GLU 1750Ca 0.08 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3k8x n GLU 1750Cb 0.43 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3k8x n GLU 1750CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8x n GLY 1751N 1.65 0.45 3.21 0.62 0.00 -1.26 -4.99 105.19 104.87 3k8x n GLY 1751Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3k8x n GLY 1751CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k8x s GLN 1752N -0.58 2.41 0.52 1.61 -1.52 -0.82 -5.01 119.66 116.28 3k8x s GLN 1752Ca 0.00 -1.45 -0.18 0.00 -1.95 0.00 0.00 55.36 51.78 3k8x s GLN 1752Cb 0.00 -3.53 -0.07 0.00 -0.22 0.00 0.00 33.01 29.19 3k8x s GLN 1752CO 0.00 -0.85 1.02 -1.25 -0.25 0.00 0.00 175.29 173.96 3k8x s PRO 1753N 1.31 3.75 -0.32 2.91 0.04 -1.26 -4.74 135.00 136.70 3k8x s PRO 1753Ca 0.02 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 3k8x s PRO 1753Cb -0.21 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.29 3k8x s PRO 1753CO -0.00 -0.45 0.03 0.42 0.04 0.00 0.00 177.00 177.03 3k8x s ILE 1754N -2.30 2.92 0.08 0.56 1.01 -0.20 -1.46 121.20 121.82 3k8x s ILE 1754Ca 0.64 -1.58 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3k8x s ILE 1754Cb -0.14 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3k8x s ILE 1754CO 0.27 -0.23 -0.08 0.27 0.00 0.00 0.00 174.94 175.17 3k8x s ILE 1755N 1.20 0.70 -0.14 2.92 -4.36 0.10 -4.20 121.20 117.41 3k8x s ILE 1755Ca -0.02 -1.63 -0.14 0.00 -0.26 0.00 0.00 60.65 58.60 3k8x s ILE 1755Cb -0.20 -1.31 -0.11 0.00 1.25 0.00 0.00 42.46 42.09 3k8x s ILE 1755CO -0.02 -0.67 0.18 -0.07 0.24 0.00 0.00 174.94 174.59 3k8x h LEU 1756N 3.53 0.00 -8.76 0.37 3.38 -1.91 0.35 115.31 112.27 3k8x h LEU 1756Ca -0.36 -0.34 -0.35 0.00 0.09 0.00 0.00 57.88 56.92 3k8x h LEU 1756Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 3k8x h LEU 1756CO 0.55 0.90 -0.69 0.42 0.09 0.00 0.00 178.44 179.71 3k8x s THR 1757N -2.06 1.10 0.74 0.22 -4.23 -1.26 -3.79 115.64 106.36 3k8x s THR 1757Ca -0.14 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.19 3k8x s THR 1757Cb 0.01 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.82 3k8x s THR 1757CO 0.34 -0.55 1.11 -0.83 -0.54 0.00 0.00 174.62 174.15 3k8x s GLY 1758N -3.23 1.91 0.18 3.99 0.00 -1.26 -4.89 107.32 104.01 3k8x s GLY 1758Ca 0.22 0.45 -0.13 0.00 0.00 0.00 0.00 44.72 45.26 3k8x s GLY 1758CO 0.04 0.81 1.76 0.00 0.00 0.00 0.00 173.10 175.71 3k8x h ALA 1759N -0.71 0.59 -0.27 3.20 0.00 -1.93 -2.18 119.26 117.96 3k8x h ALA 1759Ca -0.45 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.55 3k8x h ALA 1759Cb 1.25 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3k8x h ALA 1759CO 0.51 -0.18 0.03 -1.35 0.00 0.00 0.00 179.25 178.27 3k8x h PRO 1760N 0.39 0.13 -0.76 0.00 0.11 -1.93 0.16 132.00 130.09 3k8x h PRO 1760Ca 0.22 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.36 3k8x h PRO 1760Cb 0.19 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3k8x h PRO 1760CO -0.20 0.08 0.50 0.00 -0.21 0.00 0.00 178.00 178.18 3k8x h ALA 1761N 1.21 1.55 -0.12 -0.75 0.00 -1.92 -1.44 119.26 117.79 3k8x h ALA 1761Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3k8x h ALA 1761Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3k8x h ALA 1761CO -0.19 0.38 -0.24 0.82 0.00 0.00 0.00 179.25 180.02 3k8x h ILE 1762N 0.94 1.38 -0.98 0.00 2.04 -0.90 -3.19 117.51 116.79 3k8x h ILE 1762Ca 0.30 -1.51 0.13 0.00 1.00 0.00 0.00 64.86 64.79 3k8x h ILE 1762Cb 0.04 2.05 -0.08 0.00 -0.74 0.00 0.00 36.82 38.09 3k8x h ILE 1762CO -0.09 0.44 0.62 0.78 0.00 0.00 0.00 178.15 179.90 3k8x h ASN 1763N -0.04 0.85 0.00 1.72 2.35 -0.27 -2.44 115.58 117.76 3k8x h ASN 1763Ca 0.01 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3k8x h ASN 1763Cb 0.83 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3k8x h ASN 1763CO 0.05 0.43 0.00 0.29 -1.65 0.00 0.00 177.43 176.56 3k8x n LYS 1764N -4.62 0.00 0.00 0.81 4.76 -0.58 -2.18 118.16 116.35 3k8x n LYS 1764Ca 0.19 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 3k8x n LYS 1764Cb 0.40 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 3k8x n LYS 1764CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3k8x n MET 1765N -0.08 0.00 0.15 1.97 2.81 -1.16 0.48 117.12 121.28 3k8x n MET 1765Ca 0.00 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 3k8x n MET 1765Cb 0.00 0.00 0.54 0.00 -0.71 0.00 0.00 33.22 33.05 3k8x n MET 1765CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3k8x n LEU 1766N -3.23 0.55 0.00 4.03 4.77 -0.93 -4.85 117.00 117.34 3k8x n LEU 1766Ca 0.00 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3k8x n LEU 1766Cb 0.00 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 3k8x n LEU 1766CO 0.00 -0.85 0.00 0.61 -1.33 0.00 0.00 177.39 175.82 3k8x n GLY 1767N -1.03 2.28 3.34 -0.72 0.00 0.18 -4.98 105.19 104.25 3k8x n GLY 1767Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3k8x n GLY 1767CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k8x s ARG 1768N -0.04 1.45 -1.47 1.61 3.52 -1.23 -5.04 118.95 117.75 3k8x s ARG 1768Ca 0.00 -1.79 -0.11 0.00 -0.13 0.00 0.00 55.73 53.70 3k8x s ARG 1768Cb 0.00 -0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.01 3k8x s ARG 1768CO 0.00 -0.26 2.41 -1.91 -0.81 0.00 0.00 175.30 174.73 3k8x n GLU 1769N -0.51 3.36 0.02 5.12 4.07 -1.26 -4.60 120.64 126.85 3k8x n GLU 1769Ca -0.01 -2.69 -0.08 0.00 -0.06 0.00 0.00 57.16 54.32 3k8x n GLU 1769Cb 0.66 -3.04 0.09 0.00 -0.06 0.00 0.00 31.44 29.10 3k8x n GLU 1769CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 3k8x h VAL 1770N 3.55 1.33 -4.45 6.31 3.04 -1.90 -3.45 116.25 120.67 3k8x h VAL 1770Ca 0.65 -1.76 -0.70 0.00 -1.01 0.00 0.00 66.70 63.88 3k8x h VAL 1770Cb 0.50 1.76 -0.28 0.00 -2.01 0.00 0.00 31.29 31.26 3k8x h VAL 1770CO 1.79 0.54 -0.86 -0.31 -1.01 0.00 0.00 177.57 177.72 3k8x s TYR 1771N -4.02 2.42 -0.12 3.17 1.51 -1.26 -4.76 117.35 114.29 3k8x s TYR 1771Ca -0.07 -0.38 0.17 0.00 -1.01 0.00 0.00 57.07 55.79 3k8x s TYR 1771Cb 0.12 -1.53 -0.21 0.00 -0.11 0.00 0.00 41.96 40.22 3k8x s TYR 1771CO 0.82 0.01 0.54 2.41 -1.11 0.00 0.00 175.55 178.23 3k8x n THR 1772N 2.42 1.17 -3.85 -0.71 -1.04 -1.26 -4.83 114.28 106.19 3k8x n THR 1772Ca -0.16 -0.73 -0.10 0.00 -2.04 0.00 0.00 64.05 61.02 3k8x n THR 1772Cb 0.51 -0.62 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 3k8x n THR 1772CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3k8x s SER 1773N -5.60 -0.05 0.37 8.00 1.04 -1.26 -5.03 113.70 111.17 3k8x s SER 1773Ca -0.06 -0.67 0.07 0.00 0.48 0.00 0.00 55.95 55.78 3k8x s SER 1773Cb 0.08 0.46 0.71 0.00 0.10 0.00 0.00 66.02 67.36 3k8x s SER 1773CO 0.83 -0.89 1.90 0.78 0.98 0.00 0.00 173.24 176.84 3k8x h ASN 1774N 2.48 0.36 -0.01 7.02 2.35 -1.96 -2.86 115.58 122.96 3k8x h ASN 1774Ca -0.32 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3k8x h ASN 1774Cb 1.23 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 3k8x h ASN 1774CO 0.47 0.46 0.01 -0.07 -1.65 0.00 0.00 177.43 176.65 3k8x h LEU 1775N 0.37 0.00 -1.15 1.61 3.38 -1.95 0.12 115.31 117.69 3k8x h LEU 1775Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3k8x h LEU 1775Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3k8x h LEU 1775CO 0.01 0.00 -0.42 1.56 0.09 0.00 0.00 178.44 179.69 3k8x h GLN 1776N 0.00 0.02 0.08 1.13 4.20 -1.91 -1.18 115.11 117.45 3k8x h GLN 1776Ca 0.00 -0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 3k8x h GLN 1776Cb 0.02 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3k8x h GLN 1776CO -0.00 0.43 -1.97 1.28 -0.67 0.00 0.00 178.83 177.90 3k8x n LEU 1777N -4.04 2.12 -1.08 1.46 4.77 0.26 -4.75 117.00 115.73 3k8x n LEU 1777Ca -0.02 0.23 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3k8x n LEU 1777Cb 0.45 -0.72 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3k8x n LEU 1777CO 0.40 0.73 0.15 0.61 -1.33 0.00 0.00 177.39 177.94 3k8x n GLY 1778N 1.89 0.79 3.80 -0.72 0.00 -0.22 -4.92 105.19 105.82 3k8x n GLY 1778Ca -0.29 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 3k8x n GLY 1778CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8x s GLY 1779N -1.53 1.64 0.55 -0.02 0.00 -0.45 -1.03 107.32 106.48 3k8x s GLY 1779Ca 0.19 -0.83 0.26 0.00 0.00 0.00 0.00 44.72 44.34 3k8x s GLY 1779CO -0.09 -0.15 2.16 -0.91 0.00 0.00 0.00 173.10 174.11 3k8x h THR 1780N -1.73 0.64 0.00 0.90 1.35 -1.89 0.18 112.91 112.36 3k8x h THR 1780Ca -0.47 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3k8x h THR 1780Cb 1.29 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3k8x h THR 1780CO 0.49 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 3k8x n GLN 1781N -3.89 0.03 -0.11 4.72 0.00 -1.26 -0.37 117.38 116.50 3k8x n GLN 1781Ca -0.03 0.21 -0.20 0.00 0.00 0.00 0.00 57.00 56.98 3k8x n GLN 1781Cb 0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.82 3k8x n GLN 1781CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3k8x n ILE 1782N -1.47 1.46 0.07 -0.39 5.41 0.54 -4.43 119.36 120.55 3k8x n ILE 1782Ca 0.04 -0.14 -0.10 0.00 1.00 0.00 0.00 62.75 63.55 3k8x n ILE 1782Cb 0.18 -2.05 -0.13 0.00 -0.71 0.00 0.00 39.64 36.94 3k8x n ILE 1782CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3k8x h MET 1783N -0.94 0.09 -0.08 0.38 2.86 -1.22 -1.32 114.93 114.69 3k8x h MET 1783Ca -0.38 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 56.97 3k8x h MET 1783Cb 1.31 0.05 0.01 0.00 0.06 0.00 0.00 31.60 33.03 3k8x h MET 1783CO -0.23 1.04 -0.50 -0.92 1.06 0.00 0.00 176.91 177.36 3k8x h TYR 1784N 0.02 0.65 0.00 -0.22 3.20 -0.91 0.23 116.97 119.95 3k8x h TYR 1784Ca -0.07 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 3k8x h TYR 1784Cb 1.85 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 40.02 3k8x h TYR 1784CO 0.02 1.08 -0.02 -0.91 -1.64 0.00 0.00 178.16 176.69 3k8x h ASN 1785N 0.04 0.00 0.90 -2.11 4.21 -1.49 -2.99 115.58 114.13 3k8x h ASN 1785Ca -0.04 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.27 3k8x h ASN 1785Cb 1.16 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.32 3k8x h ASN 1785CO 0.10 0.02 -1.18 0.78 -1.29 0.00 0.00 177.43 175.86 3k8x h ASN 1786N 0.00 0.00 0.00 5.81 2.35 -1.25 -3.40 115.58 119.09 3k8x h ASN 1786Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3k8x h ASN 1786Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3k8x h ASN 1786CO 0.00 0.81 0.00 0.61 -1.65 0.00 0.00 177.43 177.20 3k8x n GLY 1787N 1.39 0.81 0.19 2.83 0.00 -1.06 -4.91 105.19 104.45 3k8x n GLY 1787Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 3k8x n GLY 1787CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k8x h VAL 1788N 0.00 1.27 -3.72 1.61 2.07 -1.62 -3.40 116.25 112.46 3k8x h VAL 1788Ca 0.00 -1.05 -0.63 0.00 0.82 0.00 0.00 66.70 65.84 3k8x h VAL 1788Cb 0.00 1.31 -0.15 0.00 -1.52 0.00 0.00 31.29 30.93 3k8x h VAL 1788CO 0.00 0.34 -0.23 -0.44 0.02 0.00 0.00 177.57 177.26 3k8x s SER 1789N -6.16 6.26 0.20 0.57 0.01 0.73 -4.51 113.70 110.80 3k8x s SER 1789Ca -0.13 0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.46 3k8x s SER 1789Cb 0.09 -2.21 0.10 0.00 0.21 0.00 0.00 66.02 64.21 3k8x s SER 1789CO 0.78 -0.18 1.46 0.45 0.41 0.00 0.00 173.24 176.15 3k8x h HIS 1790N 8.16 0.24 -3.45 2.43 3.86 -0.78 -3.39 115.15 122.22 3k8x h HIS 1790Ca -0.32 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 58.65 3k8x h HIS 1790Cb 1.16 -0.03 -0.19 0.00 1.06 0.00 0.00 27.41 29.41 3k8x h HIS 1790CO 0.76 0.87 -0.40 -0.51 0.86 0.00 0.00 177.93 179.51 3k8x s LEU 1791N -7.56 1.34 0.28 2.43 1.43 -1.06 -0.94 118.68 114.60 3k8x s LEU 1791Ca -0.03 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 3k8x s LEU 1791Cb 0.11 0.92 -0.03 0.00 0.03 0.00 0.00 46.19 47.22 3k8x s LEU 1791CO 0.81 -0.48 0.35 0.42 0.23 0.00 0.00 176.35 177.68 3k8x s THR 1792N -1.96 4.61 -0.00 5.49 -4.23 -1.26 -0.67 115.64 117.61 3k8x s THR 1792Ca -0.10 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 3k8x s THR 1792Cb -0.04 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3k8x s THR 1792CO -0.01 -0.27 -0.01 0.00 -0.54 0.00 0.00 174.62 173.79 3k8x s ALA 1793N -2.10 0.14 0.37 3.99 0.00 -0.68 -4.82 121.76 118.67 3k8x s ALA 1793Ca 0.37 -0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.40 3k8x s ALA 1793Cb -0.09 -0.06 0.73 0.00 0.00 0.00 0.00 23.12 23.71 3k8x s ALA 1793CO 0.28 0.02 1.86 -0.39 0.00 0.00 0.00 175.76 177.54 3k8x h VAL 1794N 5.21 1.22 -3.49 0.00 -1.51 -1.93 0.55 116.25 116.29 3k8x h VAL 1794Ca -0.27 -1.05 -0.12 0.00 -1.23 0.00 0.00 66.70 64.03 3k8x h VAL 1794Cb 1.20 1.46 -0.04 0.00 -2.13 0.00 0.00 31.29 31.78 3k8x h VAL 1794CO 0.51 0.31 0.06 1.51 -1.23 0.00 0.00 177.57 178.73 3k8x s ASP 1795N -6.91 0.36 0.15 4.19 1.47 -1.26 -4.57 116.67 110.10 3k8x s ASP 1795Ca -0.04 -1.24 -0.20 0.00 1.18 0.00 0.00 52.55 52.24 3k8x s ASP 1795Cb 0.15 0.76 0.05 0.00 -0.34 0.00 0.00 42.92 43.53 3k8x s ASP 1795CO 0.73 -1.49 1.65 0.44 0.68 0.00 0.00 175.17 177.19 3k8x h ASP 1796N 2.06 -0.54 -0.74 2.11 3.32 -1.94 -1.82 116.42 118.86 3k8x h ASP 1796Ca -0.30 0.12 0.05 0.00 0.02 0.00 0.00 57.03 56.93 3k8x h ASP 1796Cb 1.25 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 41.03 3k8x h ASP 1796CO 0.39 -0.20 0.45 0.25 -1.72 0.00 0.00 179.24 178.40 3k8x h LEU 1797N -0.13 0.70 -0.99 1.55 5.85 -1.97 0.08 115.31 120.41 3k8x h LEU 1797Ca 0.16 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3k8x h LEU 1797Cb 0.36 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3k8x h LEU 1797CO -0.38 0.47 0.65 0.00 -0.34 0.00 0.00 178.44 178.84 3k8x h ALA 1798N 1.35 1.26 -0.55 1.25 0.00 -1.82 -0.39 119.26 120.36 3k8x h ALA 1798Ca 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k8x h ALA 1798Cb 0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3k8x h ALA 1798CO -0.15 0.62 0.36 0.78 0.00 0.00 0.00 179.25 180.86 3k8x h GLY 1799N 1.32 0.77 1.05 0.00 0.00 -0.44 -0.62 103.07 105.15 3k8x h GLY 1799Ca 0.37 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 3k8x h GLY 1799CO -0.09 0.28 0.06 -2.08 0.00 0.00 0.00 176.54 174.71 3k8x h VAL 1800N 0.73 1.26 -0.56 4.60 2.07 -0.64 -1.18 116.25 122.53 3k8x h VAL 1800Ca 0.20 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3k8x h VAL 1800Cb -0.08 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3k8x h VAL 1800CO -0.05 0.39 0.27 -0.33 0.02 0.00 0.00 177.57 177.87 3k8x h GLU 1801N 0.92 0.49 -0.54 1.57 5.08 -0.65 -1.45 114.58 120.00 3k8x h GLU 1801Ca 0.18 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3k8x h GLU 1801Cb 0.48 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3k8x h GLU 1801CO 0.02 0.32 0.33 0.87 -1.00 0.00 0.00 179.01 179.55 3k8x h LYS 1802N 0.50 0.73 -0.28 2.33 1.57 -0.82 0.12 116.57 120.73 3k8x h LYS 1802Ca 0.26 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 3k8x h LYS 1802Cb 0.21 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 3k8x h LYS 1802CO -0.20 0.53 -0.09 0.82 -0.57 0.00 0.00 179.45 179.93 3k8x h ILE 1803N 0.73 0.68 -0.54 1.86 2.04 -0.85 0.21 117.51 121.64 3k8x h ILE 1803Ca 0.19 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 3k8x h ILE 1803Cb -0.02 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3k8x h ILE 1803CO -0.04 0.00 0.00 0.58 0.00 0.00 0.00 178.15 178.69 3k8x h VAL 1804N -0.03 1.26 -0.18 1.67 2.07 -0.94 0.56 116.25 120.66 3k8x h VAL 1804Ca 0.14 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3k8x h VAL 1804Cb 0.24 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3k8x h VAL 1804CO -0.30 0.39 -0.12 -0.08 0.02 0.00 0.00 177.57 177.47 3k8x h GLU 1805N 0.85 0.39 -0.64 1.57 4.81 -0.36 -2.56 114.58 118.64 3k8x h GLU 1805Ca 0.16 -0.19 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3k8x h GLU 1805Cb 0.50 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 3k8x h GLU 1805CO 0.02 0.72 0.29 2.35 -0.73 0.00 0.00 179.01 181.66 3k8x h TRP 1806N 0.06 0.51 0.00 0.92 2.91 -0.23 -2.03 115.95 118.09 3k8x h TRP 1806Ca 0.03 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3k8x h TRP 1806Cb 0.62 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 3k8x h TRP 1806CO 0.07 0.17 0.00 0.00 -1.03 0.00 0.00 178.44 177.66 3k8x n MET 1807N -4.92 0.13 0.09 2.65 0.00 0.16 -2.86 117.12 112.36 3k8x n MET 1807Ca 0.09 0.32 0.09 0.00 0.00 0.00 0.00 57.70 58.20 3k8x n MET 1807Cb 0.25 -1.73 0.40 0.00 0.00 0.00 0.00 33.22 32.14 3k8x n MET 1807CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3k8x n SER 1808N -1.98 0.39 -0.27 3.17 3.41 -0.76 -1.54 113.62 116.04 3k8x n SER 1808Ca 0.03 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 3k8x n SER 1808Cb 0.24 -0.69 0.33 0.00 -0.26 0.00 0.00 64.21 63.83 3k8x n SER 1808CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k8x n TYR 1809N -1.95 0.00 -4.88 7.33 4.02 -1.14 -4.84 117.16 115.70 3k8x n TYR 1809Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.58 3k8x n TYR 1809Cb 0.15 -0.11 -0.14 0.00 -0.02 0.00 0.00 39.34 39.22 3k8x n TYR 1809CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3k8x s VAL 1810N -2.51 3.01 0.60 -0.72 1.01 -0.59 -4.45 120.40 116.75 3k8x s VAL 1810Ca 0.23 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 3k8x s VAL 1810Cb 0.19 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 3k8x s VAL 1810CO 0.53 0.58 0.76 -2.65 0.00 0.00 0.00 175.10 174.32 3k8x n PRO 1811N 2.61 0.68 -0.06 2.72 -0.02 -1.26 -4.65 135.00 135.03 3k8x n PRO 1811Ca -0.17 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3k8x n PRO 1811Cb 0.52 -1.96 0.41 0.00 -0.02 0.00 0.00 33.50 32.45 3k8x n PRO 1811CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k8x h ALA 1812N 0.30 1.74 -2.85 3.55 0.00 -1.89 -3.44 119.26 116.66 3k8x h ALA 1812Ca -0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3k8x h ALA 1812Cb 1.38 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 3k8x h ALA 1812CO 0.49 0.21 -0.01 -1.59 0.00 0.00 0.00 179.25 178.35 3k8x s LYS 1813N -5.53 1.41 -0.15 0.00 -2.85 -1.26 -4.55 119.74 106.81 3k8x s LYS 1813Ca -0.09 -0.96 -0.42 0.00 -1.00 0.00 0.00 55.97 53.51 3k8x s LYS 1813Cb 0.18 0.51 -0.20 0.00 -2.06 0.00 0.00 37.83 36.26 3k8x s LYS 1813CO 0.74 -0.60 1.24 -2.13 0.10 0.00 0.00 175.35 174.71 3k8x n ARG 1814N -0.34 0.05 -0.86 1.78 0.63 0.67 -1.69 116.66 116.90 3k8x n ARG 1814Ca -0.08 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 3k8x n ARG 1814Cb 0.62 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 32.01 3k8x n ARG 1814CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3k8x n ASN 1815N 2.31 -0.01 -4.80 6.15 5.03 -1.26 -4.99 115.26 117.69 3k8x n ASN 1815Ca 0.23 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.36 3k8x n ASN 1815Cb 0.04 -0.72 0.01 0.00 -1.02 0.00 0.00 39.78 38.09 3k8x n ASN 1815CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3k8x s MET 1816N -0.29 3.26 0.71 3.52 -1.94 -0.68 -5.02 119.30 118.86 3k8x s MET 1816Ca 0.00 1.21 -0.15 0.00 -1.71 0.00 0.00 55.69 55.04 3k8x s MET 1816Cb 0.00 -2.02 0.03 0.00 2.01 0.00 0.00 34.83 34.84 3k8x s MET 1816CO 0.00 -0.86 1.19 -1.25 -0.01 0.00 0.00 175.02 174.09 3k8x s PRO 1817N -4.11 2.33 0.46 2.03 0.04 -1.26 -4.81 135.00 129.68 3k8x s PRO 1817Ca 0.64 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 63.14 3k8x s PRO 1817Cb -0.16 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 3k8x s PRO 1817CO 0.38 -1.68 1.30 0.14 0.04 0.00 0.00 177.00 177.18 3k8x s VAL 1818N -2.01 2.53 -0.44 -0.36 -7.23 -1.26 -4.62 120.40 107.02 3k8x s VAL 1818Ca 0.73 0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 61.05 3k8x s VAL 1818Cb -0.28 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.45 3k8x s VAL 1818CO 0.43 0.03 1.17 -2.16 -0.31 0.00 0.00 175.10 174.26 3k8x s PRO 1819N -2.55 3.76 0.14 4.82 0.04 -1.26 -4.93 135.00 135.02 3k8x s PRO 1819Ca 0.63 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 3k8x s PRO 1819Cb -0.37 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 30.20 3k8x s PRO 1819CO 0.46 -1.32 1.20 0.42 0.04 0.00 0.00 177.00 177.80 3k8x s ILE 1820N 4.45 3.72 -0.38 0.56 1.01 -1.26 -4.44 121.20 124.86 3k8x s ILE 1820Ca 0.50 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.53 3k8x s ILE 1820Cb -0.09 -3.87 0.15 0.00 0.01 0.00 0.00 42.46 38.66 3k8x s ILE 1820CO 0.29 0.18 0.32 -0.22 0.00 0.00 0.00 174.94 175.51 3k8x s LEU 1821N 0.22 0.57 0.20 2.97 2.96 -0.19 -4.87 118.68 120.54 3k8x s LEU 1821Ca 0.55 -2.14 -0.31 0.00 -0.22 0.00 0.00 54.13 52.01 3k8x s LEU 1821Cb -0.32 0.06 -0.10 0.00 0.50 0.00 0.00 46.19 46.33 3k8x s LEU 1821CO 0.34 -0.25 1.54 -1.61 -1.32 0.00 0.00 176.35 175.05 3k8x s GLU 1822N 0.97 4.22 0.00 1.98 2.02 -1.26 -4.15 118.70 122.48 3k8x s GLU 1822Ca 0.21 2.37 0.00 0.00 0.02 0.00 0.00 54.97 57.58 3k8x s GLU 1822Cb -0.14 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3k8x s GLU 1822CO -0.05 -0.56 0.00 0.25 0.02 0.00 0.00 175.26 174.93 3k8x n THR 1823N 3.30 0.00 -0.11 3.63 -2.24 -1.26 -4.99 114.28 112.60 3k8x n THR 1823Ca 0.11 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3k8x n THR 1823Cb 0.39 -0.11 0.27 0.00 -2.10 0.00 0.00 70.33 68.78 3k8x n THR 1823CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3k8x h LYS 1824N 0.00 0.78 -6.18 -0.78 1.57 -1.96 -3.35 116.57 106.64 3k8x h LYS 1824Ca 0.00 -0.10 -0.58 0.00 -1.87 0.00 0.00 60.65 58.10 3k8x h LYS 1824Cb 0.00 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.07 3k8x h LYS 1824CO 0.00 0.62 1.32 0.34 -0.57 0.00 0.00 179.45 181.15 3k8x s ASP 1825N -6.55 6.37 0.56 0.86 3.68 -1.26 -4.99 116.67 115.34 3k8x s ASP 1825Ca -0.10 -1.08 -0.11 0.00 2.13 0.00 0.00 52.55 53.40 3k8x s ASP 1825Cb 0.17 -2.56 -0.05 0.00 -1.45 0.00 0.00 42.92 39.03 3k8x s ASP 1825CO 0.78 -1.63 0.96 -0.89 0.13 0.00 0.00 175.17 174.52 3k8x s THR 1826N 5.23 4.73 0.45 1.71 2.01 -1.26 -4.62 115.64 123.88 3k8x s THR 1826Ca 0.41 0.79 0.18 0.00 0.31 0.00 0.00 61.69 63.38 3k8x s THR 1826Cb -0.03 -3.84 0.36 0.00 0.01 0.00 0.00 72.50 69.00 3k8x s THR 1826CO -0.00 -0.98 1.94 4.11 -0.69 0.00 0.00 174.62 179.00 3k8x h TRP 1827N 0.09 0.38 -2.38 4.92 5.08 -1.94 -3.40 115.95 118.70 3k8x h TRP 1827Ca -0.45 0.01 -0.74 0.00 1.08 0.00 0.00 58.89 58.79 3k8x h TRP 1827Cb 1.19 -0.12 -0.19 0.00 -3.00 0.00 0.00 29.16 27.04 3k8x h TRP 1827CO 0.64 0.15 1.16 0.34 -1.28 0.00 0.00 178.44 179.45 3k8x s ASP 1828N -6.02 7.02 0.05 0.11 3.68 -1.26 -4.24 116.67 116.01 3k8x s ASP 1828Ca -0.07 -2.90 -0.27 0.00 2.13 0.00 0.00 52.55 51.44 3k8x s ASP 1828Cb 0.21 -2.38 0.09 0.00 -1.45 0.00 0.00 42.92 39.39 3k8x s ASP 1828CO 0.76 -0.75 0.76 0.00 0.13 0.00 0.00 175.17 176.07 3k8x s ARG 1829N 1.44 1.02 0.87 4.34 1.70 -1.26 -5.13 118.95 121.93 3k8x s ARG 1829Ca 0.39 -0.29 -0.12 0.00 -0.47 0.00 0.00 55.73 55.24 3k8x s ARG 1829Cb -0.04 0.47 0.12 0.00 -0.57 0.00 0.00 34.95 34.93 3k8x s ARG 1829CO -0.02 -0.43 1.14 -1.25 -1.08 0.00 0.00 175.30 173.66 3k8x s PRO 1830N -3.08 1.44 -0.08 3.89 0.04 -1.26 -4.49 135.00 131.46 3k8x s PRO 1830Ca 0.01 0.27 -0.20 0.00 0.04 0.00 0.00 61.00 61.12 3k8x s PRO 1830Cb -0.01 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3k8x s PRO 1830CO -0.08 -1.99 0.58 0.08 0.04 0.00 0.00 177.00 175.62 3k8x s VAL 1831N -3.35 5.08 -0.11 -0.36 1.01 -0.34 -4.95 120.40 117.39 3k8x s VAL 1831Ca 0.63 1.18 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 3k8x s VAL 1831Cb -0.14 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3k8x s VAL 1831CO 0.52 0.32 -0.14 0.47 0.00 0.00 0.00 175.10 176.28 3k8x n ASP 1832N 3.49 1.34 -4.72 3.32 8.00 -0.15 -4.59 116.55 123.24 3k8x n ASP 1832Ca -0.05 0.52 -0.42 0.00 0.71 0.00 0.00 54.79 55.55 3k8x n ASP 1832Cb 0.51 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 3k8x n ASP 1832CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3k8x n PHE 1833N -3.99 2.75 -3.90 1.24 7.35 -0.61 -4.93 117.46 115.36 3k8x n PHE 1833Ca -0.06 0.03 -0.20 0.00 -0.76 0.00 0.00 57.45 56.47 3k8x n PHE 1833Cb 0.20 -2.68 -0.17 0.00 0.35 0.00 0.00 39.48 37.19 3k8x n PHE 1833CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3k8x s THR 1834N 1.20 0.31 0.64 -2.13 2.01 -1.26 -4.85 115.64 111.55 3k8x s THR 1834Ca 0.75 0.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.69 3k8x s THR 1834Cb -0.51 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 3k8x s THR 1834CO 0.32 0.21 1.08 -2.16 -0.69 0.00 0.00 174.62 173.38 3k8x s PRO 1835N 1.45 3.03 -0.02 4.92 0.04 -1.26 -5.05 135.00 138.10 3k8x s PRO 1835Ca -0.03 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.33 3k8x s PRO 1835Cb -0.13 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3k8x s PRO 1835CO -0.03 -1.05 -0.22 0.99 0.04 0.00 0.00 177.00 176.73 3k8x s THR 1836N -2.49 1.75 0.31 1.26 2.01 -1.26 -4.85 115.64 112.37 3k8x s THR 1836Ca 0.64 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.77 3k8x s THR 1836Cb -0.18 -1.46 0.31 0.00 0.01 0.00 0.00 72.50 71.19 3k8x s THR 1836CO 0.41 0.50 1.69 0.78 -0.69 0.00 0.00 174.62 177.31 3k8x h ASN 1837N 5.59 0.43 -2.93 3.53 -0.26 -1.96 -3.18 115.58 116.80 3k8x h ASN 1837Ca -0.40 0.17 -0.62 0.00 -0.56 0.00 0.00 56.30 54.88 3k8x h ASN 1837Cb 1.13 0.13 -0.42 0.00 -1.06 0.00 0.00 38.32 38.10 3k8x h ASN 1837CO 0.48 -0.03 -0.54 0.47 -1.06 0.00 0.00 177.43 176.74 3k8x n ASP 1838N -5.03 3.26 0.00 5.81 8.00 -1.26 -4.97 116.55 122.36 3k8x n ASP 1838Ca 0.26 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.50 3k8x n ASP 1838Cb 0.77 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3k8x n ASP 1838CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3k8x n GLU 1839N 1.75 0.00 -2.69 -1.24 2.13 -1.20 -5.16 120.64 114.23 3k8x n GLU 1839Ca 0.22 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.64 3k8x n GLU 1839Cb 0.36 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.02 3k8x n GLU 1839CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3k8x s THR 1840N 0.00 3.99 0.10 6.31 -4.23 -1.26 -4.56 115.64 115.99 3k8x s THR 1840Ca 0.00 1.97 0.03 0.00 -1.18 0.00 0.00 61.69 62.51 3k8x s THR 1840Cb 0.00 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 3k8x s THR 1840CO 0.00 0.46 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.74 3k8x s TYR 1841N -1.09 0.97 -0.25 3.99 -0.85 -1.26 -5.06 117.35 113.81 3k8x s TYR 1841Ca 0.42 -0.80 -0.16 0.00 -0.52 0.00 0.00 57.07 56.01 3k8x s TYR 1841Cb -0.27 -0.54 -0.03 0.00 0.38 0.00 0.00 41.96 41.49 3k8x s TYR 1841CO 0.34 -0.07 0.42 0.34 -1.52 0.00 0.00 175.55 175.06 3k8x s ASP 1842N -2.82 6.34 0.56 -0.18 3.68 -1.26 -4.66 116.67 118.33 3k8x s ASP 1842Ca 0.10 0.40 0.27 0.00 2.13 0.00 0.00 52.55 55.45 3k8x s ASP 1842Cb 0.02 -2.24 1.50 0.00 -1.45 0.00 0.00 42.92 40.76 3k8x s ASP 1842CO -0.02 -0.19 2.03 1.62 0.13 0.00 0.00 175.17 178.73 3k8x h VAL 1843N 5.32 0.58 -0.04 1.11 3.04 -1.99 0.41 116.25 124.68 3k8x h VAL 1843Ca -0.32 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.38 3k8x h VAL 1843Cb 1.16 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3k8x h VAL 1843CO 0.68 0.00 0.06 0.03 -1.01 0.00 0.00 177.57 177.32 3k8x h ARG 1844N 0.00 0.00 -0.56 4.17 3.08 -1.94 -1.15 114.38 117.98 3k8x h ARG 1844Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 3k8x h ARG 1844Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3k8x h ARG 1844CO -0.00 0.00 0.03 -1.49 -1.07 0.00 0.00 179.97 177.44 3k8x h TRP 1845N 0.00 1.06 -0.12 3.04 6.55 -0.40 0.16 115.95 126.24 3k8x h TRP 1845Ca 0.02 -0.17 -0.08 0.00 0.95 0.00 0.00 58.89 59.61 3k8x h TRP 1845Cb 0.13 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.14 3k8x h TRP 1845CO 0.00 0.94 -0.28 0.52 -1.05 0.00 0.00 178.44 178.57 3k8x h MET 1846N 0.86 0.21 0.16 0.49 2.86 -1.34 0.19 114.93 118.36 3k8x h MET 1846Ca 0.16 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3k8x h MET 1846Cb 0.50 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3k8x h MET 1846CO 0.02 0.48 -0.07 0.82 1.06 0.00 0.00 176.91 179.22 3k8x h ILE 1847N 0.19 0.01 -0.00 -1.22 2.04 -1.03 0.21 117.51 117.71 3k8x h ILE 1847Ca 0.03 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3k8x h ILE 1847Cb 0.60 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3k8x h ILE 1847CO 0.04 0.00 -0.71 -1.84 0.00 0.00 0.00 178.15 175.65 3k8x n GLU 1848N -4.92 1.73 0.00 2.37 0.28 0.51 -1.08 120.64 119.54 3k8x n GLU 1848Ca -0.03 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3k8x n GLU 1848Cb 0.09 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.70 3k8x n GLU 1848CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k8x n GLY 1849N 1.36 -0.17 3.01 -1.84 0.00 0.06 -4.11 105.19 103.49 3k8x n GLY 1849Ca 0.03 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3k8x n GLY 1849CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k8x s ARG 1850N -1.08 0.16 -0.03 1.61 3.52 0.11 -4.45 118.95 118.79 3k8x s ARG 1850Ca 0.00 0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 3k8x s ARG 1850Cb 0.00 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 3k8x s ARG 1850CO 0.00 -0.07 1.06 -2.00 -0.81 0.00 0.00 175.30 173.48 3k8x s GLU 1851N 0.45 4.47 0.41 5.12 2.56 -1.26 -0.23 118.70 130.22 3k8x s GLU 1851Ca -0.03 1.51 0.04 0.00 0.00 0.00 0.00 54.97 56.48 3k8x s GLU 1851Cb -0.04 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.56 3k8x s GLU 1851CO -0.02 -0.22 0.05 0.95 -0.56 0.00 0.00 175.26 175.46 3k8x s THR 1852N 1.51 1.21 0.47 -1.70 -4.23 -0.87 -4.95 115.64 107.07 3k8x s THR 1852Ca 0.53 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 3k8x s THR 1852Cb -0.22 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.35 3k8x s THR 1852CO 0.24 0.00 2.06 -0.08 -0.54 0.00 0.00 174.62 176.31 3k8x h GLU 1853N 1.76 0.26 -0.73 3.99 4.81 -2.04 -2.74 114.58 119.89 3k8x h GLU 1853Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3k8x h GLU 1853Cb 1.27 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3k8x h GLU 1853CO 0.70 0.17 0.00 -1.13 -0.73 0.00 0.00 179.01 178.02 3k8x n SER 1854N -4.48 4.12 0.00 1.04 3.41 -1.26 -5.07 113.62 111.38 3k8x n SER 1854Ca 0.03 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3k8x n SER 1854Cb 0.21 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3k8x n SER 1854CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8x n GLY 1855N 1.60 1.94 3.69 5.00 0.00 -1.04 -5.06 105.19 111.34 3k8x n GLY 1855Ca 0.25 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3k8x n GLY 1855CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k8x s PHE 1856N -1.57 3.47 -0.34 1.61 5.36 -1.26 -2.05 117.98 123.20 3k8x s PHE 1856Ca 0.00 1.52 -0.18 0.00 -0.96 0.00 0.00 56.93 57.31 3k8x s PHE 1856Cb 0.00 -3.24 -0.01 0.00 -0.34 0.00 0.00 43.02 39.44 3k8x s PHE 1856CO 0.00 -0.47 0.51 -1.21 -1.46 0.00 0.00 175.22 172.59 3k8x s GLU 1857N 1.79 3.69 0.35 10.12 2.02 0.68 -4.97 118.70 132.38 3k8x s GLU 1857Ca 0.51 -0.09 -0.27 0.00 0.02 0.00 0.00 54.97 55.14 3k8x s GLU 1857Cb -0.21 -3.78 -0.09 0.00 0.10 0.00 0.00 34.13 30.15 3k8x s GLU 1857CO 0.21 -0.59 1.09 0.71 0.02 0.00 0.00 175.26 176.71 3k8x s TYR 1858N 2.37 3.37 0.00 1.61 1.51 -1.26 0.05 117.35 125.00 3k8x s TYR 1858Ca 0.19 1.65 0.00 0.00 -1.01 0.00 0.00 57.07 57.90 3k8x s TYR 1858Cb -0.15 -3.25 0.00 0.00 -0.11 0.00 0.00 41.96 38.45 3k8x s TYR 1858CO 0.13 -0.73 0.00 0.41 -1.11 0.00 0.00 175.55 174.25 3k8x n GLY 1859N 0.77 1.39 0.26 0.71 0.00 -1.26 -0.98 105.19 106.09 3k8x n GLY 1859Ca 0.02 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 3k8x n GLY 1859CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k8x h LEU 1860N 0.00 0.81-10.41 0.99 5.85 -0.52 -3.43 115.31 108.60 3k8x h LEU 1860Ca 0.00 -0.19 -0.43 0.00 0.84 0.00 0.00 57.88 58.10 3k8x h LEU 1860Cb 0.00 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.83 3k8x h LEU 1860CO 0.00 0.78 -0.27 -0.36 -0.34 0.00 0.00 178.44 178.26 3k8x s PHE 1861N -5.47 2.72 0.31 1.25 0.40 -0.24 -4.76 117.98 112.19 3k8x s PHE 1861Ca -0.13 -0.43 -0.30 0.00 -0.60 0.00 0.00 56.93 55.47 3k8x s PHE 1861Cb 0.12 -2.34 -0.11 0.00 0.51 0.00 0.00 43.02 41.20 3k8x s PHE 1861CO 0.80 -0.42 1.57 -0.25 0.70 0.00 0.00 175.22 177.62 3k8x n ASP 1862N -1.83 3.86 -4.68 1.36 10.43 0.38 -4.77 116.55 121.30 3k8x n ASP 1862Ca 0.08 1.17 -0.45 0.00 2.57 0.00 0.00 54.79 58.16 3k8x n ASP 1862Cb 0.60 -1.60 -0.03 0.00 1.84 0.00 0.00 41.12 41.92 3k8x n ASP 1862CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 3k8x n LYS 1863N 1.75 2.18 -0.73 -1.24 4.81 -1.26 -1.80 118.16 121.86 3k8x n LYS 1863Ca 0.07 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3k8x n LYS 1863Cb 0.37 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.92 3k8x n LYS 1863CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k8x n GLY 1864N 2.71 1.11 0.03 3.14 0.00 -1.26 -4.91 105.19 106.00 3k8x n GLY 1864Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3k8x n GLY 1864CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k8x n SER 1865N 0.00 0.57 -4.66 1.61 3.41 -0.75 -4.89 113.62 108.90 3k8x n SER 1865Ca 0.00 -0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 3k8x n SER 1865Cb 0.00 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 3k8x n SER 1865CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3k8x s PHE 1866N -3.09 2.95 -0.43 7.33 5.99 -1.26 -4.00 117.98 125.48 3k8x s PHE 1866Ca 0.09 1.10 0.03 0.00 0.00 0.00 0.00 56.93 58.15 3k8x s PHE 1866Cb 0.16 -3.46 0.12 0.00 0.00 0.00 0.00 43.02 39.84 3k8x s PHE 1866CO 0.70 -1.46 0.17 0.12 -0.00 0.00 0.00 175.22 174.76 3k8x s PHE 1867N 3.41 3.09 0.32 10.12 5.36 0.13 -4.97 117.98 135.45 3k8x s PHE 1867Ca 0.53 -2.90 -0.27 0.00 -0.96 0.00 0.00 56.93 53.33 3k8x s PHE 1867Cb -0.20 -2.64 -0.09 0.00 -0.34 0.00 0.00 43.02 39.75 3k8x s PHE 1867CO 0.13 -0.83 1.08 -2.00 -1.46 0.00 0.00 175.22 172.14 3k8x s GLU 1868N 0.36 4.46 0.18 10.12 2.12 -1.26 -0.69 118.70 133.99 3k8x s GLU 1868Ca 0.14 1.69 0.01 0.00 0.36 0.00 0.00 54.97 57.18 3k8x s GLU 1868Cb -0.23 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 3k8x s GLU 1868CO -0.05 0.08 0.03 0.95 -0.54 0.00 0.00 175.26 175.73 3k8x s THR 1869N -1.35 0.57 -1.42 -1.70 -4.23 -0.20 -4.79 115.64 102.53 3k8x s THR 1869Ca 0.49 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 3k8x s THR 1869Cb -0.28 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.39 3k8x s THR 1869CO 0.36 -0.39 0.51 0.18 -0.54 0.00 0.00 174.62 174.74 3k8x n LEU 1870N -0.26 -2.10 0.00 4.79 4.77 -0.12 -4.32 117.00 119.77 3k8x n LEU 1870Ca -0.05 -0.30 0.10 0.00 -0.03 0.00 0.00 56.01 55.73 3k8x n LEU 1870Cb 0.64 -2.57 0.46 0.00 -2.33 0.00 0.00 43.42 39.63 3k8x n LEU 1870CO 0.34 0.17 0.83 -1.54 -1.33 0.00 0.00 177.39 175.86 3k8x n SER 1871N -2.37 0.00 -0.05 -1.43 3.41 -1.24 -2.97 113.62 108.98 3k8x n SER 1871Ca -0.08 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 3k8x n SER 1871Cb 0.59 -0.45 0.28 0.00 -0.26 0.00 0.00 64.21 64.36 3k8x n SER 1871CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8x n GLY 1872N 0.62 -1.13 2.99 5.00 0.00 -1.26 -4.92 105.19 106.49 3k8x n GLY 1872Ca 0.06 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 3k8x n GLY 1872CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k8x s TRP 1873N -2.90 0.75 -1.02 1.61 -0.00 -1.16 -4.15 118.94 112.06 3k8x s TRP 1873Ca 0.14 -0.15 -0.15 0.00 -0.00 0.00 0.00 56.10 55.93 3k8x s TRP 1873Cb 0.18 -0.51 0.00 0.00 -0.00 0.00 0.00 33.47 33.14 3k8x s TRP 1873CO 0.66 -0.04 0.73 0.00 -0.00 0.00 0.00 176.95 178.30 3k8x n ALA 1874N 3.04 -2.61 1.37 5.86 0.00 -1.26 -4.82 120.51 122.08 3k8x n ALA 1874Ca -0.15 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.16 3k8x n ALA 1874Cb 0.56 -2.82 0.69 0.00 0.00 0.00 0.00 19.45 17.89 3k8x n ALA 1874CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k8x n LYS 1875N -3.61 0.53 -0.05 0.00 5.02 -1.26 -2.34 118.16 116.45 3k8x n LYS 1875Ca -0.13 0.03 0.23 0.00 -2.02 0.00 0.00 58.31 56.42 3k8x n LYS 1875Cb 0.60 -1.50 0.71 0.00 -0.02 0.00 0.00 35.03 34.82 3k8x n LYS 1875CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3k8x h GLY 1876N 4.18 0.00 -4.18 0.72 0.00 -1.89 -3.42 103.07 98.48 3k8x h GLY 1876Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3k8x h GLY 1876CO 0.00 0.00 -0.79 -1.34 0.00 0.00 0.00 176.54 174.41 3k8x s VAL 1877N -4.95 2.95 -0.11 4.60 -7.23 -0.99 -1.57 120.40 113.11 3k8x s VAL 1877Ca -0.05 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 3k8x s VAL 1877Cb 0.20 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3k8x s VAL 1877CO 0.72 0.14 -0.23 0.68 -0.31 0.00 0.00 175.10 176.09 3k8x s VAL 1878N -1.13 2.07 0.01 1.32 -7.23 0.29 -4.85 120.40 110.88 3k8x s VAL 1878Ca 0.18 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 3k8x s VAL 1878Cb -0.11 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 3k8x s VAL 1878CO 0.10 0.56 -0.17 0.68 -0.31 0.00 0.00 175.10 175.96 3k8x s VAL 1879N 0.46 1.38 0.14 1.32 -7.23 -1.26 -0.79 120.40 114.42 3k8x s VAL 1879Ca -0.16 -0.89 -0.17 0.00 -1.81 0.00 0.00 61.98 58.95 3k8x s VAL 1879Cb -0.17 -1.18 0.06 0.00 0.56 0.00 0.00 36.38 35.65 3k8x s VAL 1879CO 0.06 0.27 0.84 0.61 -0.31 0.00 0.00 175.10 176.56 3k8x n GLY 1880N 2.32 0.73 3.92 2.32 0.00 -0.63 -1.03 105.19 112.82 3k8x n GLY 1880Ca -0.16 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 3k8x n GLY 1880CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k8x s ARG 1881N -2.04 3.54 0.35 1.61 1.81 0.14 0.15 118.95 124.50 3k8x s ARG 1881Ca 0.19 -0.28 -0.07 0.00 -1.72 0.00 0.00 55.73 53.84 3k8x s ARG 1881Cb -0.02 -2.86 0.02 0.00 -0.45 0.00 0.00 34.95 31.63 3k8x s ARG 1881CO 0.04 0.44 0.58 0.00 -0.68 0.00 0.00 175.30 175.68 3k8x s ALA 1882N -1.77 0.25 0.00 2.13 0.00 -0.78 0.21 121.76 121.80 3k8x s ALA 1882Ca 0.39 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3k8x s ALA 1882Cb -0.12 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 3k8x s ALA 1882CO 0.28 -0.86 -0.14 1.03 0.00 0.00 0.00 175.76 176.07 3k8x s ARG 1883N -2.84 1.05 -0.37 0.00 0.52 -1.26 -1.80 118.95 114.24 3k8x s ARG 1883Ca 0.25 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 3k8x s ARG 1883Cb -0.02 -1.02 0.10 0.00 0.52 0.00 0.00 34.95 34.52 3k8x s ARG 1883CO 0.17 0.27 0.13 -1.17 0.02 0.00 0.00 175.30 174.72 3k8x s LEU 1884N -0.56 4.87 -1.41 2.53 2.96 0.86 -0.47 118.68 127.46 3k8x s LEU 1884Ca 0.04 -1.90 -0.01 0.00 -0.22 0.00 0.00 54.13 52.05 3k8x s LEU 1884Cb -0.06 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.87 3k8x s LEU 1884CO 0.00 -0.45 0.05 0.61 -1.32 0.00 0.00 176.35 175.24 3k8x n GLY 1885N 4.53 -0.50 0.00 7.98 0.00 -1.26 -1.21 105.19 114.73 3k8x n GLY 1885Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3k8x n GLY 1885CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k8x n GLY 1886N -0.95 2.52 3.65 -0.02 0.00 -1.26 -4.64 105.19 104.49 3k8x n GLY 1886Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3k8x n GLY 1886CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k8x s ILE 1887N -2.66 4.92 0.38 -0.61 1.01 -0.35 -1.02 121.20 122.87 3k8x s ILE 1887Ca 0.00 1.40 -0.24 0.00 0.00 0.00 0.00 60.65 61.81 3k8x s ILE 1887Cb 0.00 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3k8x s ILE 1887CO 0.00 0.01 0.97 -2.16 0.00 0.00 0.00 174.94 173.76 3k8x s PRO 1888N 2.45 4.34 0.17 2.79 0.04 -1.26 -0.10 135.00 143.43 3k8x s PRO 1888Ca 0.32 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.45 3k8x s PRO 1888Cb -0.16 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.93 3k8x s PRO 1888CO 0.09 0.06 0.58 -0.48 0.04 0.00 0.00 177.00 177.29 3k8x s LEU 1889N -2.60 -0.40 0.30 -3.56 2.34 -0.74 -4.52 118.68 109.50 3k8x s LEU 1889Ca 0.56 -0.10 -0.18 0.00 0.06 0.00 0.00 54.13 54.47 3k8x s LEU 1889Cb -0.16 2.49 -0.09 0.00 -0.56 0.00 0.00 46.19 47.87 3k8x s LEU 1889CO 0.21 -0.99 0.77 -0.83 -1.06 0.00 0.00 176.35 174.46 3k8x s GLY 1890N -2.77 2.48 -0.04 -3.48 0.00 -0.03 -1.87 107.32 101.60 3k8x s GLY 1890Ca 0.02 0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.93 3k8x s GLY 1890CO -0.11 0.46 -0.09 0.14 0.00 0.00 0.00 173.10 173.50 3k8x s VAL 1891N -1.81 0.82 -0.08 1.40 1.01 0.12 -1.08 120.40 120.77 3k8x s VAL 1891Ca 0.51 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3k8x s VAL 1891Cb -0.13 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.50 3k8x s VAL 1891CO 0.19 0.27 -0.19 -0.63 0.00 0.00 0.00 175.10 174.73 3k8x s ILE 1892N 0.42 1.68 0.33 2.22 1.01 -0.56 -1.60 121.20 124.70 3k8x s ILE 1892Ca -0.07 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3k8x s ILE 1892Cb -0.11 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3k8x s ILE 1892CO 0.01 0.48 0.10 -0.83 0.00 0.00 0.00 174.94 174.70 3k8x s GLY 1893N 0.46 2.13 -0.20 6.18 0.00 0.03 -0.49 107.32 115.42 3k8x s GLY 1893Ca -0.17 -1.75 -0.03 0.00 0.00 0.00 0.00 44.72 42.77 3k8x s GLY 1893CO 0.07 -1.73 -0.06 0.14 0.00 0.00 0.00 173.10 171.52 3k8x s VAL 1894N -3.44 3.32 -0.25 1.40 1.01 -1.26 -0.54 120.40 120.64 3k8x s VAL 1894Ca 0.33 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3k8x s VAL 1894Cb 0.06 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3k8x s VAL 1894CO 0.15 0.44 1.52 -0.70 0.00 0.00 0.00 175.10 176.52 3k8x s GLU 1895N 1.27 3.82 0.44 2.72 2.56 -0.61 -4.67 118.70 124.22 3k8x s GLU 1895Ca 0.03 1.52 0.24 0.00 0.00 0.00 0.00 54.97 56.76 3k8x s GLU 1895Cb -0.14 -3.99 0.46 0.00 2.00 0.00 0.00 34.13 32.46 3k8x s GLU 1895CO -0.02 -1.26 1.65 1.79 -0.56 0.00 0.00 175.26 176.86 3k8x h THR 1896N 6.11 0.00 -3.74 -1.70 1.35 -1.87 -3.17 112.91 109.89 3k8x h THR 1896Ca -0.31 -0.92 -0.49 0.00 -0.55 0.00 0.00 66.41 64.13 3k8x h THR 1896Cb 1.14 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 69.45 3k8x h THR 1896CO 1.01 0.00 0.22 -0.13 -0.25 0.00 0.00 175.52 176.37 3k8x s ARG 1897N -3.25 4.35 0.31 4.72 3.00 -1.26 -4.20 118.95 122.62 3k8x s ARG 1897Ca 0.07 1.04 -0.30 0.00 0.00 0.00 0.00 55.73 56.54 3k8x s ARG 1897Cb 0.06 -2.75 -0.12 0.00 0.00 0.00 0.00 34.95 32.15 3k8x s ARG 1897CO 0.65 0.29 1.57 2.41 0.00 0.00 0.00 175.30 180.22 3k8x n THR 1898N 0.44 1.21 -3.88 0.02 -1.04 -1.26 -4.30 114.28 105.47 3k8x n THR 1898Ca 0.01 -0.30 -0.36 0.00 -2.04 0.00 0.00 64.05 61.35 3k8x n THR 1898Cb 0.51 -1.94 -0.07 0.00 -1.82 0.00 0.00 70.33 67.01 3k8x n THR 1898CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3k8x s VAL 1899N -0.22 5.38 -0.45 12.58 1.01 -0.05 -4.94 120.40 133.71 3k8x s VAL 1899Ca 0.62 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 3k8x s VAL 1899Cb -0.50 -3.37 0.11 0.00 0.00 0.00 0.00 36.38 32.62 3k8x s VAL 1899CO 0.51 0.56 0.30 -1.61 0.00 0.00 0.00 175.10 174.87 3k8x s GLU 1900N -0.59 2.42 -0.43 2.72 0.41 -1.26 -0.55 118.70 121.41 3k8x s GLU 1900Ca 0.12 -1.71 -0.19 0.00 -0.41 0.00 0.00 54.97 52.79 3k8x s GLU 1900Cb -0.12 -3.83 0.02 0.00 -1.78 0.00 0.00 34.13 28.43 3k8x s GLU 1900CO 0.02 -1.12 0.52 1.21 -0.49 0.00 0.00 175.26 175.40 3k8x s ASN 1901N 2.40 6.25 -0.54 -0.19 2.47 0.12 -4.93 114.94 120.52 3k8x s ASN 1901Ca 0.05 -0.53 -0.21 0.00 0.42 0.00 0.00 52.86 52.59 3k8x s ASN 1901Cb -0.25 -2.26 0.06 0.00 -1.45 0.00 0.00 41.25 37.35 3k8x s ASN 1901CO -0.01 -0.66 0.76 -0.22 -3.72 0.00 0.00 177.10 173.26 3k8x s LEU 1902N 2.40 4.67 -0.29 3.21 2.96 -1.26 0.42 118.68 130.79 3k8x s LEU 1902Ca 0.16 -0.77 -0.20 0.00 -0.22 0.00 0.00 54.13 53.10 3k8x s LEU 1902Cb -0.16 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 3k8x s LEU 1902CO 0.16 -1.06 0.63 -0.63 -1.32 0.00 0.00 176.35 174.12 3k8x s ILE 1903N 3.17 4.96 0.78 6.68 1.09 0.14 -4.97 121.20 133.05 3k8x s ILE 1903Ca 0.20 0.94 -0.11 0.00 -1.10 0.00 0.00 60.65 60.58 3k8x s ILE 1903Cb -0.17 -3.97 0.06 0.00 -1.06 0.00 0.00 42.46 37.31 3k8x s ILE 1903CO 0.14 -0.08 1.10 -2.16 -0.10 0.00 0.00 174.94 173.84 3k8x s PRO 1904N 2.57 2.23 0.41 2.79 0.04 -1.26 -0.43 135.00 141.35 3k8x s PRO 1904Ca 0.25 0.59 -0.23 0.00 0.04 0.00 0.00 61.00 61.65 3k8x s PRO 1904Cb -0.15 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3k8x s PRO 1904CO 0.11 -1.51 1.05 0.00 0.04 0.00 0.00 177.00 176.69 3k8x s ALA 1905N -3.21 3.05 -0.12 8.56 0.00 -1.26 -4.70 121.76 124.08 3k8x s ALA 1905Ca 0.60 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 3k8x s ALA 1905Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3k8x s ALA 1905CO 0.54 -0.23 0.63 0.16 0.00 0.00 0.00 175.76 176.86 3k8x s ASP 1906N -1.64 6.82 0.00 0.00 -4.77 -1.26 -4.93 116.67 110.90 3k8x s ASP 1906Ca 0.59 0.99 0.10 0.00 -3.30 0.00 0.00 52.55 50.94 3k8x s ASP 1906Cb -0.21 -2.36 0.61 0.00 -1.09 0.00 0.00 42.92 39.87 3k8x s ASP 1906CO 0.26 -0.15 1.04 -0.81 0.70 0.00 0.00 175.17 176.21 3k8x n PRO 1907N 4.19 0.41 0.08 2.11 -0.04 -1.26 -1.71 135.00 138.77 3k8x n PRO 1907Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 3k8x n PRO 1907Cb 0.51 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.62 3k8x n PRO 1907CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k8x n ALA 1908N -0.89 2.76 -2.50 0.55 0.00 -1.26 -4.74 120.51 114.44 3k8x n ALA 1908Ca 0.08 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3k8x n ALA 1908Cb 0.04 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 3k8x n ALA 1908CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3k8x s ASN 1909N -4.84 6.09 0.25 0.00 3.84 -0.70 -4.98 114.94 114.60 3k8x s ASN 1909Ca 0.02 -0.63 -0.05 0.00 0.21 0.00 0.00 52.86 52.40 3k8x s ASN 1909Cb 0.11 -2.15 0.46 0.00 -0.55 0.00 0.00 41.25 39.13 3k8x s ASN 1909CO 0.78 -0.34 1.35 -2.65 -2.79 0.00 0.00 177.10 173.45 3k8x n PRO 1910N 5.15 -0.08 -3.24 0.43 -0.02 -1.26 -2.32 135.00 133.67 3k8x n PRO 1910Ca -0.12 1.34 -0.13 0.00 -2.02 0.00 0.00 63.50 62.57 3k8x n PRO 1910Cb 0.48 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 3k8x n PRO 1910CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3k8x s ASN 1911N -5.17 0.30 0.40 2.55 3.84 -1.26 -5.07 114.94 110.52 3k8x s ASN 1911Ca -0.13 -1.72 -0.00 0.00 0.21 0.00 0.00 52.86 51.22 3k8x s ASN 1911Cb 0.24 0.87 -0.03 0.00 -0.55 0.00 0.00 41.25 41.79 3k8x s ASN 1911CO 0.68 -0.19 0.62 -0.94 -2.79 0.00 0.00 177.10 174.47 3k8x s SER 1912N 1.18 6.17 0.22 -4.21 1.04 -0.98 -5.13 113.70 111.99 3k8x s SER 1912Ca 0.22 0.49 0.11 0.00 0.48 0.00 0.00 55.95 57.25 3k8x s SER 1912Cb -0.08 -1.94 -0.05 0.00 0.10 0.00 0.00 66.02 64.05 3k8x s SER 1912CO -0.06 -0.45 -0.22 0.00 0.98 0.00 0.00 173.24 173.49 3k8x s ALA 1913N -2.45 2.59 0.07 5.32 0.00 -1.26 -4.75 121.76 121.28 3k8x s ALA 1913Ca 0.43 -1.72 -0.36 0.00 0.00 0.00 0.00 51.96 50.31 3k8x s ALA 1913Cb -0.10 -0.30 -0.19 0.00 0.00 0.00 0.00 23.12 22.54 3k8x s ALA 1913CO 0.38 0.36 0.99 0.39 0.00 0.00 0.00 175.76 177.88 3k8x n GLU 1914N -0.07 0.25 -4.51 0.00 1.02 -1.26 -4.35 120.64 111.71 3k8x n GLU 1914Ca -0.10 0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 3k8x n GLU 1914Cb 0.58 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.34 3k8x n GLU 1914CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3k8x s THR 1915N -0.20 1.00 -0.25 2.62 -1.32 0.43 -4.93 115.64 112.98 3k8x s THR 1915Ca 0.82 -0.43 -0.09 0.00 -1.21 0.00 0.00 61.69 60.78 3k8x s THR 1915Cb -1.12 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 3k8x s THR 1915CO 0.55 0.31 0.13 -0.22 -2.21 0.00 0.00 174.62 173.19 3k8x s LEU 1916N 0.47 3.83 -0.20 9.08 2.96 -1.26 -0.69 118.68 132.87 3k8x s LEU 1916Ca -0.09 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 3k8x s LEU 1916Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3k8x s LEU 1916CO 0.02 0.00 0.10 -0.63 -1.32 0.00 0.00 176.35 174.52 3k8x s ILE 1917N 1.42 5.04 -0.20 6.68 -1.09 0.17 -4.94 121.20 128.27 3k8x s ILE 1917Ca 0.06 0.06 -0.16 0.00 -2.23 0.00 0.00 60.65 58.38 3k8x s ILE 1917Cb -0.15 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 3k8x s ILE 1917CO 0.06 0.44 0.40 -1.58 -1.23 0.00 0.00 174.94 173.02 3k8x s GLN 1918N 0.49 4.18 -0.42 2.79 2.00 -1.26 0.13 119.66 127.56 3k8x s GLN 1918Ca 0.05 0.20 0.03 0.00 -2.00 0.00 0.00 55.36 53.64 3k8x s GLN 1918Cb -0.12 -3.53 0.11 0.00 0.80 0.00 0.00 33.01 30.27 3k8x s GLN 1918CO 0.00 -0.03 0.16 -1.21 -0.50 0.00 0.00 175.29 173.71 3k8x s GLU 1919N 1.27 1.76 0.68 1.67 2.02 0.28 -4.98 118.70 121.41 3k8x s GLU 1919Ca 0.19 -2.13 -0.17 0.00 0.02 0.00 0.00 54.97 52.88 3k8x s GLU 1919Cb -0.15 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.77 3k8x s GLU 1919CO 0.08 -1.02 1.24 -1.25 0.02 0.00 0.00 175.26 174.32 3k8x s PRO 1920N 0.52 2.41 0.61 0.39 0.04 -1.26 -0.87 135.00 136.83 3k8x s PRO 1920Ca 0.13 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 3k8x s PRO 1920Cb -0.22 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3k8x s PRO 1920CO -0.05 -1.66 1.10 0.20 0.04 0.00 0.00 177.00 176.63 3k8x s GLY 1921N -1.74 2.26 -1.52 0.56 0.00 -1.26 -3.57 107.32 102.05 3k8x s GLY 1921Ca 0.78 0.57 0.00 0.00 0.00 0.00 0.00 44.72 46.06 3k8x s GLY 1921CO 0.41 0.91 0.00 -1.06 0.00 0.00 0.00 173.10 173.36 3k8x n GLN 1922N -2.02 -1.11 -4.57 2.90 6.02 -1.20 -4.88 117.38 112.52 3k8x n GLN 1922Ca 0.10 0.94 -0.28 0.00 -0.01 0.00 0.00 57.00 57.75 3k8x n GLN 1922Cb 0.52 -5.15 -0.17 0.00 1.02 0.00 0.00 30.24 26.46 3k8x n GLN 1922CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k8x s VAL 1923N -2.63 1.51 -0.20 5.09 1.01 -1.23 0.66 120.40 124.60 3k8x s VAL 1923Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3k8x s VAL 1923Cb 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3k8x s VAL 1923CO 0.00 0.44 1.18 0.26 0.00 0.00 0.00 175.10 176.98 3k8x s TRP 1924N 0.86 3.01 0.40 5.22 0.51 -0.79 -4.91 118.94 123.24 3k8x s TRP 1924Ca -0.09 1.16 0.08 0.00 -2.12 0.00 0.00 56.10 55.12 3k8x s TRP 1924Cb -0.15 -3.47 0.00 0.00 -0.81 0.00 0.00 33.47 29.04 3k8x s TRP 1924CO 0.01 -1.25 0.52 -1.01 -0.51 0.00 0.00 176.95 174.70 3k8x s HIS 1925N 3.48 2.84 0.24 -1.98 3.76 -1.26 -1.37 115.29 120.99 3k8x s HIS 1925Ca 0.51 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 54.97 3k8x s HIS 1925Cb -0.19 -2.27 0.42 0.00 1.11 0.00 0.00 32.58 31.65 3k8x s HIS 1925CO 0.12 -0.29 1.70 -1.35 -0.85 0.00 0.00 174.74 174.07 3k8x h PRO 1926N 0.76 0.29 -0.38 8.40 0.11 -1.88 0.11 132.00 139.41 3k8x h PRO 1926Ca -0.41 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3k8x h PRO 1926Cb 1.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3k8x h PRO 1926CO 0.48 0.19 0.14 -2.95 -0.21 0.00 0.00 178.00 175.66 3k8x h ASN 1927N 0.30 0.54 0.79 -2.05 7.08 -1.96 -1.06 115.58 119.22 3k8x h ASN 1927Ca 0.39 -0.18 -0.14 0.00 -3.08 0.00 0.00 56.30 53.30 3k8x h ASN 1927Cb 0.63 -0.14 -0.02 0.00 -2.08 0.00 0.00 38.32 36.71 3k8x h ASN 1927CO -0.46 0.57 -0.64 0.77 -2.08 0.00 0.00 177.43 175.58 3k8x h SER 1928N 0.47 0.00 -0.30 6.14 4.64 -1.74 -1.17 113.55 121.60 3k8x h SER 1928Ca 0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3k8x h SER 1928Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3k8x h SER 1928CO -0.01 0.64 0.09 0.00 -0.87 0.00 0.00 176.83 176.68 3k8x h ALA 1929N 1.36 0.39 -0.66 5.18 0.00 -0.65 -1.63 119.26 123.25 3k8x h ALA 1929Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3k8x h ALA 1929Cb 1.21 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3k8x h ALA 1929CO 0.08 0.04 0.40 0.35 0.00 0.00 0.00 179.25 180.12 3k8x h PHE 1930N 0.32 0.75 -0.53 0.00 -0.00 -1.02 -1.11 116.94 115.36 3k8x h PHE 1930Ca 0.10 0.02 -0.07 0.00 -0.00 0.00 0.00 57.97 58.02 3k8x h PHE 1930Cb 0.26 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 35.95 3k8x h PHE 1930CO 0.01 0.42 0.05 -0.22 -0.00 0.00 0.00 178.31 178.57 3k8x h LYS 1931N 0.78 0.90 -0.02 1.11 3.64 -1.15 0.18 116.57 122.01 3k8x h LYS 1931Ca 0.27 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3k8x h LYS 1931Cb 0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3k8x h LYS 1931CO -0.12 0.89 -0.02 1.15 -2.27 0.00 0.00 179.45 179.09 3k8x h THR 1932N 0.78 0.94 -0.77 1.00 2.02 -0.94 0.65 112.91 116.59 3k8x h THR 1932Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 3k8x h THR 1932Cb 0.45 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3k8x h THR 1932CO 0.02 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.30 3k8x h ALA 1933N 1.00 0.99 -0.37 6.16 0.00 -0.98 -1.67 119.26 124.40 3k8x h ALA 1933Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k8x h ALA 1933Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3k8x h ALA 1933CO -0.04 0.53 0.22 0.37 0.00 0.00 0.00 179.25 180.34 3k8x h GLN 1934N 1.08 0.50 -0.37 0.00 5.75 -0.37 -1.23 115.11 120.48 3k8x h GLN 1934Ca 0.27 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 3k8x h GLN 1934Cb 0.08 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3k8x h GLN 1934CO -0.04 0.37 0.20 0.00 -2.65 0.00 0.00 178.83 176.72 3k8x h ALA 1935N 1.10 0.46 -0.62 3.38 0.00 -0.58 0.89 119.26 123.89 3k8x h ALA 1935Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3k8x h ALA 1935Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3k8x h ALA 1935CO -0.02 -0.15 0.37 0.82 0.00 0.00 0.00 179.25 180.26 3k8x h ILE 1936N 0.41 1.04 -0.37 0.00 2.04 -1.11 0.86 117.51 120.38 3k8x h ILE 1936Ca 0.15 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3k8x h ILE 1936Cb 0.03 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3k8x h ILE 1936CO -0.08 0.13 0.01 0.78 0.00 0.00 0.00 178.15 178.99 3k8x h ASN 1937N 0.71 0.63 0.40 1.72 2.35 -0.73 -2.08 115.58 118.57 3k8x h ASN 1937Ca 0.26 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 3k8x h ASN 1937Cb 0.07 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3k8x h ASN 1937CO -0.13 0.77 -0.39 0.44 -1.65 0.00 0.00 177.43 176.48 3k8x h ASP 1938N 0.47 0.00 0.07 5.81 3.32 -0.42 -0.64 116.42 125.03 3k8x h ASP 1938Ca 0.11 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3k8x h ASP 1938Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3k8x h ASP 1938CO 0.02 0.39 -0.51 -0.26 -1.72 0.00 0.00 179.24 177.16 3k8x h PHE 1939N 0.00 0.60 0.01 4.55 0.05 -0.67 -3.32 116.94 118.16 3k8x h PHE 1939Ca -0.00 -0.20 -0.00 0.00 3.82 0.00 0.00 57.97 61.58 3k8x h PHE 1939Cb 0.69 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 38.53 3k8x h PHE 1939CO 0.00 0.90 -0.01 -0.97 -0.18 0.00 0.00 178.31 178.05 3k8x h ASN 1940N 0.38 -0.01 0.53 2.17 -1.24 -0.76 -0.88 115.58 115.77 3k8x h ASN 1940Ca 0.01 -0.45 -0.02 0.00 0.71 0.00 0.00 56.30 56.55 3k8x h ASN 1940Cb 1.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.08 3k8x h ASN 1940CO 0.09 0.71 -0.30 0.78 -1.29 0.00 0.00 177.43 177.42 3k8x h ASN 1941N -1.00 -0.75 0.00 1.15 2.35 -1.31 -2.89 115.58 113.14 3k8x h ASN 1941Ca -0.00 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3k8x h ASN 1941Cb 0.46 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3k8x h ASN 1941CO 0.00 -0.48 -1.69 0.61 -1.65 0.00 0.00 177.43 174.22 3k8x n GLY 1942N -1.40 -0.61 0.22 2.83 0.00 -1.25 -4.27 105.19 100.72 3k8x n GLY 1942Ca -0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3k8x n GLY 1942CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k8x h GLU 1943N 0.00 0.51 -6.26 1.61 5.08 -1.71 -3.35 114.58 110.46 3k8x h GLU 1943Ca -0.12 -0.25 -0.47 0.00 -1.00 0.00 0.00 59.36 57.53 3k8x h GLU 1943Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3k8x h GLU 1943CO 0.01 0.82 -0.77 1.04 -1.00 0.00 0.00 179.01 179.11 3k8x n GLN 1944N -4.03 -5.49 -3.38 2.33 6.02 -0.62 -4.22 117.38 107.98 3k8x n GLN 1944Ca -0.02 0.61 -0.32 0.00 -0.01 0.00 0.00 57.00 57.26 3k8x n GLN 1944Cb 0.50 -5.44 -0.05 0.00 1.02 0.00 0.00 30.24 26.26 3k8x n GLN 1944CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3k8x s LEU 1945N -7.19 4.17 0.99 1.08 1.43 -0.43 -4.86 118.68 113.87 3k8x s LEU 1945Ca 0.55 0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 54.50 3k8x s LEU 1945Cb -0.28 -3.70 0.19 0.00 0.03 0.00 0.00 46.19 42.43 3k8x s LEU 1945CO 0.83 -0.08 1.09 -2.16 0.23 0.00 0.00 176.35 176.26 3k8x s PRO 1946N -2.78 0.46 -0.04 1.29 0.04 -1.26 -4.66 135.00 128.05 3k8x s PRO 1946Ca 0.48 0.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.02 3k8x s PRO 1946Cb -0.11 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.70 3k8x s PRO 1946CO 0.21 -2.72 0.13 1.41 0.04 0.00 0.00 177.00 176.07 3k8x s MET 1947N -4.95 0.25 -0.07 4.56 1.75 -0.76 -0.85 119.30 119.24 3k8x s MET 1947Ca 0.65 0.01 0.05 0.00 -1.25 0.00 0.00 55.69 55.15 3k8x s MET 1947Cb -0.19 0.11 -0.01 0.00 2.84 0.00 0.00 34.83 37.59 3k8x s MET 1947CO 0.58 -0.05 -0.24 1.41 -0.65 0.00 0.00 175.02 176.07 3k8x s MET 1948N -0.37 2.56 -0.20 4.11 1.75 -0.25 -1.05 119.30 125.86 3k8x s MET 1948Ca -0.04 -0.86 -0.02 0.00 -1.25 0.00 0.00 55.69 53.51 3k8x s MET 1948Cb -0.03 -2.11 -0.00 0.00 2.84 0.00 0.00 34.83 35.53 3k8x s MET 1948CO 0.00 0.32 -0.09 0.42 -0.65 0.00 0.00 175.02 175.02 3k8x s ILE 1949N -0.02 3.01 -1.29 10.11 1.01 0.34 -1.50 121.20 132.87 3k8x s ILE 1949Ca -0.07 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3k8x s ILE 1949Cb -0.14 -2.34 0.14 0.00 0.01 0.00 0.00 42.46 40.13 3k8x s ILE 1949CO 0.05 0.46 1.78 0.18 0.00 0.00 0.00 174.94 177.41 3k8x n LEU 1950N 4.60 6.06 -4.69 2.97 4.77 0.36 -1.02 117.00 130.04 3k8x n LEU 1950Ca -0.19 -4.44 -0.42 0.00 -0.03 0.00 0.00 56.01 50.93 3k8x n LEU 1950Cb 0.51 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 3k8x n LEU 1950CO 0.28 1.01 1.00 0.00 -1.33 0.00 0.00 177.39 178.36 3k8x s ALA 1951N 1.53 3.51 -0.40 -1.18 0.00 -0.81 -4.25 121.76 120.17 3k8x s ALA 1951Ca 0.43 0.79 0.10 0.00 0.00 0.00 0.00 51.96 53.28 3k8x s ALA 1951Cb 0.06 -3.53 0.39 0.00 0.00 0.00 0.00 23.12 20.03 3k8x s ALA 1951CO -0.00 -0.74 1.24 -1.71 0.00 0.00 0.00 175.76 174.56 3k8x n ASN 1952N 4.91 -1.47 -4.54 0.00 5.15 -1.25 -4.26 115.26 113.80 3k8x n ASN 1952Ca 0.11 -2.73 -0.33 0.00 -0.60 0.00 0.00 54.58 51.03 3k8x n ASN 1952Cb 0.45 0.93 -0.12 0.00 -0.53 0.00 0.00 39.78 40.51 3k8x n ASN 1952CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3k8x s TRP 1953N -0.30 2.83 -1.41 1.20 0.51 -0.92 -4.65 118.94 116.21 3k8x s TRP 1953Ca 0.23 -0.06 0.26 0.00 -2.12 0.00 0.00 56.10 54.42 3k8x s TRP 1953Cb 0.39 -1.67 0.76 0.00 -0.81 0.00 0.00 33.47 32.14 3k8x s TRP 1953CO -0.07 0.27 1.58 0.54 -0.51 0.00 0.00 176.95 178.76 3k8x n ARG 1954N 2.21 0.45 0.00 4.98 1.74 0.21 -2.78 116.66 123.48 3k8x n ARG 1954Ca -0.17 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 3k8x n ARG 1954Cb 0.53 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3k8x n ARG 1954CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k8x n GLY 1955N 1.40 1.65 3.79 -0.13 0.00 -1.24 -4.61 105.19 106.06 3k8x n GLY 1955Ca 0.10 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 3k8x n GLY 1955CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k8x s PHE 1956N -1.60 3.53 0.08 1.61 0.40 -1.26 -1.88 117.98 118.86 3k8x s PHE 1956Ca 0.00 1.72 -0.31 0.00 -0.60 0.00 0.00 56.93 57.74 3k8x s PHE 1956Cb 0.00 -2.91 -0.06 0.00 0.51 0.00 0.00 43.02 40.56 3k8x s PHE 1956CO 0.00 0.05 1.29 0.45 0.70 0.00 0.00 175.22 177.71 3k8x s SER 1957N -1.81 6.96 -0.03 1.36 0.15 -0.47 -4.88 113.70 114.99 3k8x s SER 1957Ca 0.55 2.14 0.09 0.00 0.70 0.00 0.00 55.95 59.43 3k8x s SER 1957Cb -0.15 -2.58 0.26 0.00 -1.71 0.00 0.00 66.02 61.84 3k8x s SER 1957CO 0.20 -0.56 1.21 0.61 1.20 0.00 0.00 173.24 175.90 3k8x n GLY 1958N 3.36 3.08 3.77 9.45 0.00 -1.26 -4.59 105.19 118.99 3k8x n GLY 1958Ca 0.10 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3k8x n GLY 1958CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8x s GLY 1959N -1.20 1.58 0.11 -0.02 0.00 -1.26 -4.76 107.32 101.77 3k8x s GLY 1959Ca 0.20 -0.45 -0.23 0.00 0.00 0.00 0.00 44.72 44.25 3k8x s GLY 1959CO 0.11 0.10 1.69 -1.61 0.00 0.00 0.00 173.10 173.39 3k8x h GLN 1960N -1.53 -0.13 -0.10 2.90 4.15 -1.99 -1.20 115.11 117.20 3k8x h GLN 1960Ca -0.51 0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.93 3k8x h GLN 1960Cb 1.32 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 3k8x h GLN 1960CO 0.61 -0.09 0.01 -0.09 -1.93 0.00 0.00 178.83 177.34 3k8x h ARG 1961N -0.14 0.05 -0.21 1.69 2.43 -1.98 0.14 114.38 116.37 3k8x h ARG 1961Ca 0.06 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 3k8x h ARG 1961Cb 0.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3k8x h ARG 1961CO -0.14 0.03 -0.30 -0.44 -1.51 0.00 0.00 179.97 177.61 3k8x h ASP 1962N 0.05 0.42 -0.13 -3.80 3.45 -1.86 0.83 116.42 115.38 3k8x h ASP 1962Ca 0.05 -0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 3k8x h ASP 1962Cb 0.04 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.70 3k8x h ASP 1962CO -0.07 0.71 0.01 0.24 -1.57 0.00 0.00 179.24 178.56 3k8x h MET 1963N 0.36 0.23 -0.98 3.56 2.86 -0.92 -2.26 114.93 117.78 3k8x h MET 1963Ca 0.05 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.73 3k8x h MET 1963Cb 0.72 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 3k8x h MET 1963CO 0.05 0.45 0.61 0.35 1.06 0.00 0.00 176.91 179.44 3k8x h PHE 1964N -0.02 1.11 -0.18 -0.22 3.57 -0.53 -1.07 116.94 119.60 3k8x h PHE 1964Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3k8x h PHE 1964Cb 0.34 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3k8x h PHE 1964CO 0.03 0.46 0.00 0.09 -2.23 0.00 0.00 178.31 176.66 3k8x n ASN 1965N -4.63 2.15 -0.78 0.41 5.03 0.27 -4.89 115.26 112.82 3k8x n ASN 1965Ca 0.18 -2.22 -0.04 0.00 0.87 0.00 0.00 54.58 53.37 3k8x n ASN 1965Cb 0.32 -0.47 0.01 0.00 -1.02 0.00 0.00 39.78 38.63 3k8x n ASN 1965CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3k8x n GLU 1966N 0.18 -0.93 0.04 3.52 1.02 -0.40 -4.85 120.64 119.22 3k8x n GLU 1966Ca 0.08 0.16 0.20 0.00 -0.02 0.00 0.00 57.16 57.58 3k8x n GLU 1966Cb 0.46 -3.42 0.72 0.00 -0.02 0.00 0.00 31.44 29.19 3k8x n GLU 1966CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3k8x h VAL 1967N -0.27 0.60 -0.31 2.62 3.04 -1.57 0.96 116.25 121.31 3k8x h VAL 1967Ca -0.09 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 3k8x h VAL 1967Cb 1.06 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 3k8x h VAL 1967CO 0.10 0.00 0.01 -0.07 -1.01 0.00 0.00 177.57 176.59 3k8x h LEU 1968N 0.00 0.43 -0.04 3.16 3.38 -1.86 -1.79 115.31 118.59 3k8x h LEU 1968Ca 0.23 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3k8x h LEU 1968Cb 1.01 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.65 3k8x h LEU 1968CO -0.00 0.50 -0.39 0.11 0.09 0.00 0.00 178.44 178.74 3k8x h LYS 1969N 0.45 0.34 -0.43 1.13 1.57 -1.19 -2.42 116.57 116.01 3k8x h LYS 1969Ca 0.10 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.42 3k8x h LYS 1969Cb 0.29 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3k8x h LYS 1969CO 0.01 0.97 -0.31 1.88 -0.57 0.00 0.00 179.45 181.43 3k8x h TYR 1970N -0.19 1.14 -1.00 -1.35 -1.99 -1.44 -1.84 116.97 110.30 3k8x h TYR 1970Ca -0.04 -0.31 0.02 0.00 2.00 0.00 0.00 58.73 60.40 3k8x h TYR 1970Cb 1.08 -0.25 -0.05 0.00 2.00 0.00 0.00 36.73 39.50 3k8x h TYR 1970CO 0.14 1.14 0.66 0.78 -0.00 0.00 0.00 178.16 180.89 3k8x h GLY 1971N 0.82 1.42 2.00 3.88 0.00 -1.41 -1.69 103.07 108.09 3k8x h GLY 1971Ca 0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3k8x h GLY 1971CO 0.08 0.50 -0.37 1.76 0.00 0.00 0.00 176.54 178.51 3k8x h SER 1972N 1.34 0.00 -0.59 0.19 0.02 -1.01 -2.45 113.55 111.05 3k8x h SER 1972Ca 0.37 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.47 3k8x h SER 1972Cb -0.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3k8x h SER 1972CO -0.09 0.37 0.41 -0.26 -1.14 0.00 0.00 176.83 176.12 3k8x h PHE 1973N 0.00 0.15 -0.03 3.45 0.05 -0.47 -2.53 116.94 117.55 3k8x h PHE 1973Ca -0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 3k8x h PHE 1973Cb 0.67 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.57 3k8x h PHE 1973CO 0.00 0.06 -0.02 0.82 -0.18 0.00 0.00 178.31 178.99 3k8x h ILE 1974N 0.13 1.35 -0.75 -0.55 2.04 -1.42 -0.82 117.51 117.50 3k8x h ILE 1974Ca 0.28 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 65.12 3k8x h ILE 1974Cb 0.94 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 3k8x h ILE 1974CO -0.04 0.29 0.43 0.58 0.00 0.00 0.00 178.15 179.42 3k8x h VAL 1975N -0.36 0.98 -0.63 1.67 2.07 -1.56 -1.26 116.25 117.16 3k8x h VAL 1975Ca 0.01 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 3k8x h VAL 1975Cb 0.48 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3k8x h VAL 1975CO 0.01 0.14 0.02 0.44 0.02 0.00 0.00 177.57 178.20 3k8x h ASP 1976N 0.79 1.07 -0.76 0.57 3.45 -1.24 -0.91 116.42 119.38 3k8x h ASP 1976Ca 0.34 -0.30 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 3k8x h ASP 1976Cb 0.21 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 3k8x h ASP 1976CO -0.19 1.10 0.28 0.00 -1.57 0.00 0.00 179.24 178.87 3k8x h ALA 1977N 1.00 1.00 -0.26 3.45 0.00 -0.51 -2.80 119.26 121.15 3k8x h ALA 1977Ca 0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3k8x h ALA 1977Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k8x h ALA 1977CO 0.03 0.64 -0.12 -0.07 0.00 0.00 0.00 179.25 179.74 3k8x h LEU 1978N 1.12 0.55 -1.04 0.00 3.38 -0.87 -2.84 115.31 115.61 3k8x h LEU 1978Ca 0.25 -0.40 0.18 0.00 0.09 0.00 0.00 57.88 57.99 3k8x h LEU 1978Cb 0.25 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.75 3k8x h LEU 1978CO -0.02 0.83 0.62 0.58 0.09 0.00 0.00 178.44 180.54 3k8x h VAL 1979N 0.26 0.75 -0.00 1.22 2.07 -1.12 -1.90 116.25 117.53 3k8x h VAL 1979Ca 0.06 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3k8x h VAL 1979Cb 0.62 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3k8x h VAL 1979CO 0.04 0.14 -0.00 -0.67 0.02 0.00 0.00 177.57 177.10 3k8x n ASP 1980N -4.72 0.01 -4.76 0.57 2.03 -1.06 -4.93 116.55 103.69 3k8x n ASP 1980Ca 0.22 0.37 -0.41 0.00 0.52 0.00 0.00 54.79 55.49 3k8x n ASP 1980Cb 0.54 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 3k8x n ASP 1980CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3k8x s TYR 1981N -2.92 3.26 -0.54 -0.67 5.04 -0.72 -4.95 117.35 115.85 3k8x s TYR 1981Ca 0.17 1.45 0.04 0.00 -2.44 0.00 0.00 57.07 56.29 3k8x s TYR 1981Cb 0.19 -3.54 0.03 0.00 0.35 0.00 0.00 41.96 38.99 3k8x s TYR 1981CO 0.52 -1.47 0.62 1.63 -1.34 0.00 0.00 175.55 175.51 3k8x n LYS 1982N 1.37 -0.19 -4.37 4.97 4.76 -1.26 -4.91 118.16 118.54 3k8x n LYS 1982Ca 0.01 -0.74 -0.20 0.00 -2.87 0.00 0.00 58.31 54.51 3k8x n LYS 1982Cb 0.43 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.45 3k8x n LYS 1982CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3k8x s GLN 1983N -0.40 1.39 0.26 1.97 1.11 -1.26 -5.08 119.66 117.65 3k8x s GLN 1983Ca 0.05 -1.60 -0.29 0.00 0.01 0.00 0.00 55.36 53.53 3k8x s GLN 1983Cb 0.04 -1.28 -0.14 0.00 -1.01 0.00 0.00 33.01 30.61 3k8x s GLN 1983CO 0.06 0.23 1.03 -2.30 0.01 0.00 0.00 175.29 174.32 3k8x n PRO 1984N -0.33 1.29 -4.92 2.91 -0.02 -1.26 -4.78 135.00 127.89 3k8x n PRO 1984Ca -0.08 0.45 -0.26 0.00 -2.02 0.00 0.00 63.50 61.59 3k8x n PRO 1984Cb 0.60 -1.84 -0.16 0.00 -0.02 0.00 0.00 33.50 32.08 3k8x n PRO 1984CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k8x s ILE 1985N -0.85 1.50 -0.12 4.25 1.01 0.11 -1.83 121.20 125.27 3k8x s ILE 1985Ca 0.62 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.50 3k8x s ILE 1985Cb -0.74 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 40.48 3k8x s ILE 1985CO 0.58 0.43 -0.23 -0.63 0.00 0.00 0.00 174.94 175.09 3k8x s ILE 1986N -0.38 2.11 -0.15 2.92 1.01 -0.21 -1.63 121.20 124.88 3k8x s ILE 1986Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 3k8x s ILE 1986Cb -0.08 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3k8x s ILE 1986CO -0.00 0.55 0.00 -0.63 0.00 0.00 0.00 174.94 174.86 3k8x s ILE 1987N 0.56 4.26 -0.11 2.92 -1.09 0.45 -0.50 121.20 127.68 3k8x s ILE 1987Ca -0.13 -0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.02 3k8x s ILE 1987Cb -0.17 -2.87 0.05 0.00 -1.58 0.00 0.00 42.46 37.89 3k8x s ILE 1987CO 0.04 0.51 0.09 -0.47 -1.23 0.00 0.00 174.94 173.88 3k8x s TYR 1988N 0.12 0.08 -0.37 3.97 6.04 -0.19 0.10 117.35 127.10 3k8x s TYR 1988Ca 0.01 0.04 -0.27 0.00 0.04 0.00 0.00 57.07 56.90 3k8x s TYR 1988Cb -0.13 -0.54 0.02 0.00 -1.04 0.00 0.00 41.96 40.26 3k8x s TYR 1988CO 0.02 -0.36 1.00 0.42 -1.54 0.00 0.00 175.55 175.09 3k8x s ILE 1989N 2.18 4.51 0.94 3.14 1.01 0.25 -1.92 121.20 131.31 3k8x s ILE 1989Ca 0.04 1.36 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 3k8x s ILE 1989Cb -0.14 -4.40 0.16 0.00 0.01 0.00 0.00 42.46 38.09 3k8x s ILE 1989CO -0.06 -0.59 1.12 -2.16 0.00 0.00 0.00 174.94 173.25 3k8x s PRO 1990N 3.66 0.87 0.45 2.79 0.04 -1.26 -0.71 135.00 140.84 3k8x s PRO 1990Ca 0.42 0.39 -0.24 0.00 0.04 0.00 0.00 61.00 61.60 3k8x s PRO 1990Cb -0.11 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 3k8x s PRO 1990CO 0.19 -2.40 1.28 -1.25 0.04 0.00 0.00 177.00 174.86 3k8x s PRO 1991N -5.15 3.75 0.00 0.56 0.04 -1.26 -0.98 135.00 131.95 3k8x s PRO 1991Ca 0.64 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3k8x s PRO 1991Cb -0.16 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3k8x s PRO 1991CO 0.55 -0.65 0.00 0.25 0.04 0.00 0.00 177.00 177.19 3k8x n THR 1992N -0.26 0.00 -2.66 1.26 -2.24 0.03 -4.82 114.28 105.59 3k8x n THR 1992Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 3k8x n THR 1992Cb 0.45 -0.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.55 3k8x n THR 1992CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k8x s GLY 1993N -2.00 1.82 0.08 3.38 0.00 -0.15 -4.95 107.32 105.51 3k8x s GLY 1993Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 3k8x s GLY 1993CO 0.00 -1.05 0.34 -1.83 0.00 0.00 0.00 173.10 170.56 3k8x s GLU 1994N -4.74 0.94 -0.13 2.90 -1.05 -1.26 -1.26 118.70 114.10 3k8x s GLU 1994Ca 0.57 -0.63 -0.02 0.00 -0.15 0.00 0.00 54.97 54.74 3k8x s GLU 1994Cb -0.10 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.03 3k8x s GLU 1994CO 0.38 -0.33 0.01 -1.17 0.95 0.00 0.00 175.26 175.10 3k8x s LEU 1995N -2.47 0.90 -0.07 1.83 2.96 -0.69 -2.15 118.68 118.98 3k8x s LEU 1995Ca -0.00 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3k8x s LEU 1995Cb 0.01 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 3k8x s LEU 1995CO -0.08 -0.24 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.41 3k8x s ARG 1996N 1.90 2.70 4.21 1.98 1.81 -1.12 -3.26 118.95 127.18 3k8x s ARG 1996Ca 0.02 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 3k8x s ARG 1996Cb -0.14 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 3k8x s ARG 1996CO -0.07 0.45 0.00 0.41 -0.68 0.00 0.00 175.30 175.41 3k8x n GLY 1997N 2.80 2.72 0.52 -3.53 0.00 -0.78 -1.32 105.19 105.59 3k8x n GLY 1997Ca -0.17 -0.21 0.34 0.00 0.00 0.00 0.00 46.02 45.98 3k8x n GLY 1997CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k8x h GLY 1998N 0.00 0.22 2.00 -0.02 0.00 -1.94 0.21 103.07 103.55 3k8x h GLY 1998Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3k8x h GLY 1998CO 0.00 -0.03 -0.37 1.48 0.00 0.00 0.00 176.54 177.62 3k8x h SER 1999N 0.06 0.00 -0.10 0.19 4.64 -1.53 -2.29 113.55 114.51 3k8x h SER 1999Ca 0.59 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.86 3k8x h SER 1999Cb 2.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.30 3k8x h SER 1999CO -0.06 0.37 -0.12 -0.25 -0.87 0.00 0.00 176.83 175.90 3k8x h TRP 2000N 0.00 0.32 -0.61 4.77 2.91 -0.98 -3.35 115.95 119.02 3k8x h TRP 2000Ca -0.00 -0.10 0.12 0.00 1.13 0.00 0.00 58.89 60.04 3k8x h TRP 2000Cb 0.85 -0.07 -0.09 0.00 -0.51 0.00 0.00 29.16 29.34 3k8x h TRP 2000CO 0.00 0.70 0.08 0.28 -1.03 0.00 0.00 178.44 178.47 3k8x h VAL 2001N -0.15 0.57 0.00 2.65 2.07 -1.19 -0.23 116.25 119.97 3k8x h VAL 2001Ca 0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3k8x h VAL 2001Cb 0.65 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3k8x h VAL 2001CO 0.03 0.04 0.00 0.55 0.02 0.00 0.00 177.57 178.20 3k8x n VAL 2002N -5.20 0.71 -1.18 2.57 3.14 -1.00 -2.06 118.33 115.33 3k8x n VAL 2002Ca 0.09 0.18 0.01 0.00 -2.96 0.00 0.00 64.34 61.66 3k8x n VAL 2002Cb 0.34 -0.98 0.02 0.00 -1.06 0.00 0.00 33.84 32.16 3k8x n VAL 2002CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3k8x n VAL 2003N -1.29 0.36 -2.46 1.55 3.14 -0.17 -4.50 118.33 114.95 3k8x n VAL 2003Ca 0.06 -0.40 -0.40 0.00 -2.96 0.00 0.00 64.34 60.64 3k8x n VAL 2003Cb 0.10 0.63 -0.04 0.00 -1.06 0.00 0.00 33.84 33.47 3k8x n VAL 2003CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3k8x s ASP 2004N -0.78 7.25 0.11 6.55 2.15 -0.77 -4.91 116.67 126.27 3k8x s ASP 2004Ca 0.04 2.29 0.18 0.00 0.43 0.00 0.00 52.55 55.48 3k8x s ASP 2004Cb 0.03 -2.63 0.75 0.00 -0.30 0.00 0.00 42.92 40.77 3k8x s ASP 2004CO 0.00 -0.16 1.54 -0.81 -0.17 0.00 0.00 175.17 175.58 3k8x n PRO 2005N 1.18 0.08 0.04 4.34 -0.04 -1.26 -1.26 135.00 138.08 3k8x n PRO 2005Ca -0.01 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 3k8x n PRO 2005Cb 0.45 -1.66 0.42 0.00 -0.04 0.00 0.00 33.50 32.66 3k8x n PRO 2005CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3k8x n THR 2006N -1.82 0.74 -0.30 0.52 -2.24 -1.26 -2.08 114.28 107.84 3k8x n THR 2006Ca 0.03 0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.93 3k8x n THR 2006Cb 0.18 -0.91 0.08 0.00 -2.10 0.00 0.00 70.33 67.58 3k8x n THR 2006CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3k8x h ILE 2007N 0.00 1.19 -1.89 2.28 2.04 -1.54 -3.38 117.51 116.21 3k8x h ILE 2007Ca 0.00 -0.37 -0.41 0.00 1.00 0.00 0.00 64.86 65.08 3k8x h ILE 2007Cb 0.36 0.02 -0.30 0.00 -0.74 0.00 0.00 36.82 36.15 3k8x h ILE 2007CO 0.00 0.20 -0.77 0.21 0.00 0.00 0.00 178.15 177.79 3k8x s ASN 2008N -5.92 0.62 0.54 1.72 3.04 -1.01 -4.62 114.94 109.31 3k8x s ASN 2008Ca -0.13 -2.28 0.32 0.00 0.04 0.00 0.00 52.86 50.81 3k8x s ASN 2008Cb 0.16 0.46 1.39 0.00 -1.54 0.00 0.00 41.25 41.72 3k8x s ASN 2008CO 0.79 -0.17 2.00 0.00 -3.04 0.00 0.00 177.10 176.68 3k8x h ALA 2009N 5.90 1.03 0.00 1.71 0.00 -1.61 -0.70 119.26 125.60 3k8x h ALA 2009Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3k8x h ALA 2009Cb 1.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3k8x h ALA 2009CO 0.22 0.07 -0.29 -0.44 0.00 0.00 0.00 179.25 178.82 3k8x h ASP 2010N 0.00 0.00 0.00 0.00 3.45 -1.95 -3.36 116.42 114.56 3k8x h ASP 2010Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3k8x h ASP 2010Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3k8x h ASP 2010CO 0.01 0.29 -0.97 0.00 -1.57 0.00 0.00 179.24 177.00 3k8x n GLN 2011N -4.13 0.72 -4.04 3.56 1.13 -0.93 -4.97 117.38 108.72 3k8x n GLN 2011Ca -0.02 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.68 3k8x n GLN 2011Cb 0.34 -0.98 -0.08 0.00 0.11 0.00 0.00 30.24 29.63 3k8x n GLN 2011CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3k8x s MET 2012N -1.94 3.39 0.01 -1.09 -1.94 -0.31 0.07 119.30 117.49 3k8x s MET 2012Ca 0.00 -0.24 0.03 0.00 -1.71 0.00 0.00 55.69 53.76 3k8x s MET 2012Cb 0.00 -3.08 -0.01 0.00 2.01 0.00 0.00 34.83 33.75 3k8x s MET 2012CO 0.00 0.68 -0.08 -1.21 -0.01 0.00 0.00 175.02 174.40 3k8x s GLU 2013N -0.78 0.62 -0.02 2.03 2.02 -0.64 -4.79 118.70 117.14 3k8x s GLU 2013Ca 0.13 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 54.73 3k8x s GLU 2013Cb -0.12 -0.55 -0.03 0.00 0.10 0.00 0.00 34.13 33.53 3k8x s GLU 2013CO 0.03 0.14 -0.15 1.41 0.02 0.00 0.00 175.26 176.71 3k8x s MET 2014N -0.61 2.40 0.07 1.61 -2.45 -1.26 -0.41 119.30 118.65 3k8x s MET 2014Ca -0.00 -0.77 0.03 0.00 -1.25 0.00 0.00 55.69 53.70 3k8x s MET 2014Cb -0.05 -2.33 -0.03 0.00 1.25 0.00 0.00 34.83 33.67 3k8x s MET 2014CO 0.00 0.60 -0.09 0.71 1.05 0.00 0.00 175.02 177.29 3k8x s TYR 2015N -0.79 0.91 -0.04 4.11 1.51 0.29 -0.42 117.35 122.93 3k8x s TYR 2015Ca 0.13 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 3k8x s TYR 2015Cb -0.11 -0.52 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 3k8x s TYR 2015CO 0.02 -0.04 -0.06 0.00 -1.11 0.00 0.00 175.55 174.36 3k8x s ALA 2016N -1.99 0.70 0.64 3.71 0.00 -1.11 -0.58 121.76 123.13 3k8x s ALA 2016Ca -0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 3k8x s ALA 2016Cb -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3k8x s ALA 2016CO -0.00 0.04 1.22 0.34 0.00 0.00 0.00 175.76 177.36 3k8x s ASP 2017N 0.64 4.80 0.59 0.00 2.15 0.11 -0.96 116.67 124.00 3k8x s ASP 2017Ca -0.09 2.40 0.32 0.00 0.43 0.00 0.00 52.55 55.61 3k8x s ASP 2017Cb -0.12 -2.60 1.83 0.00 -0.30 0.00 0.00 42.92 41.73 3k8x s ASP 2017CO 0.00 -1.85 2.22 -0.37 -0.17 0.00 0.00 175.17 175.00 3k8x h VAL 2018N 0.46 0.43 -0.83 1.11 -1.51 -0.99 -1.04 116.25 113.88 3k8x h VAL 2018Ca -0.50 -0.15 -0.46 0.00 -1.23 0.00 0.00 66.70 64.36 3k8x h VAL 2018Cb 1.30 1.10 -0.26 0.00 -2.13 0.00 0.00 31.29 31.31 3k8x h VAL 2018CO 0.53 0.03 0.45 0.59 -1.23 0.00 0.00 177.57 177.94 3k8x n ASN 2019N -3.63 4.01 -4.96 4.19 3.02 -1.26 -4.68 115.26 111.94 3k8x n ASN 2019Ca -0.03 -3.69 -0.19 0.00 -0.03 0.00 0.00 54.58 50.65 3k8x n ASN 2019Cb 0.13 -0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 3k8x n ASN 2019CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k8x s ALA 2020N -3.37 4.31 0.05 5.41 0.00 -0.40 -0.79 121.76 126.97 3k8x s ALA 2020Ca 0.55 -1.69 0.04 0.00 0.00 0.00 0.00 51.96 50.86 3k8x s ALA 2020Cb 0.46 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 3k8x s ALA 2020CO 0.06 -0.20 -0.12 1.03 0.00 0.00 0.00 175.76 176.52 3k8x s ARG 2021N -4.24 0.77 -0.14 0.00 1.81 -0.39 -4.29 118.95 112.48 3k8x s ARG 2021Ca 0.50 -0.82 -0.29 0.00 -1.72 0.00 0.00 55.73 53.40 3k8x s ARG 2021Cb -0.08 -0.72 0.08 0.00 -0.45 0.00 0.00 34.95 33.78 3k8x s ARG 2021CO 0.31 0.16 0.77 0.00 -0.68 0.00 0.00 175.30 175.87 3k8x s ALA 2022N -1.13 -1.82 0.00 2.13 0.00 -0.27 -1.71 121.76 118.97 3k8x s ALA 2022Ca -0.03 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3k8x s ALA 2022Cb -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3k8x s ALA 2022CO 0.01 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3k8x n GLY 2023N 1.40 -1.44 0.31 0.00 0.00 -1.20 -4.34 105.19 99.91 3k8x n GLY 2023Ca -0.16 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 3k8x n GLY 2023CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k8x h VAL 2024N 0.00 1.25 -3.77 1.61 2.07 -1.94 -2.08 116.25 113.39 3k8x h VAL 2024Ca 0.00 -0.93 -0.30 0.00 0.82 0.00 0.00 66.70 66.29 3k8x h VAL 2024Cb 0.00 0.65 -0.18 0.00 -1.52 0.00 0.00 31.29 30.24 3k8x h VAL 2024CO 0.00 0.35 -0.73 -0.76 0.02 0.00 0.00 177.57 176.45 3k8x s LEU 2025N -9.39 2.40 0.82 2.57 1.43 -1.26 -2.83 118.68 112.42 3k8x s LEU 2025Ca -0.11 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.06 3k8x s LEU 2025Cb 0.15 -0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.21 3k8x s LEU 2025CO 0.82 -0.28 1.19 -1.61 0.23 0.00 0.00 176.35 176.70 3k8x s GLU 2026N -2.79 1.57 0.21 1.70 2.02 -1.26 -4.74 118.70 115.41 3k8x s GLU 2026Ca 0.04 1.70 -0.11 0.00 0.02 0.00 0.00 54.97 56.63 3k8x s GLU 2026Cb -0.03 -1.77 0.28 0.00 0.10 0.00 0.00 34.13 32.72 3k8x s GLU 2026CO -0.01 -2.25 1.66 -1.35 0.02 0.00 0.00 175.26 173.33 3k8x h PRO 2027N -1.05 0.10 -0.46 0.39 0.11 -1.92 -0.39 132.00 128.78 3k8x h PRO 2027Ca -0.46 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.74 3k8x h PRO 2027Cb 1.29 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 3k8x h PRO 2027CO 0.46 0.07 -0.05 0.37 -0.21 0.00 0.00 178.00 178.64 3k8x h GLN 2028N 0.10 0.06 -0.62 1.05 4.15 -1.92 0.11 115.11 118.04 3k8x h GLN 2028Ca 0.32 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.64 3k8x h GLN 2028Cb 0.51 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3k8x h GLN 2028CO -0.54 0.04 0.04 0.78 -1.93 0.00 0.00 178.83 177.22 3k8x h GLY 2029N 0.06 1.14 0.97 2.39 0.00 -1.75 -2.66 103.07 103.23 3k8x h GLY 2029Ca 0.23 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3k8x h GLY 2029CO -0.42 0.74 0.06 1.98 0.00 0.00 0.00 176.54 178.91 3k8x h MET 2030N 0.98 0.77 -0.45 4.80 1.85 -0.40 -3.14 114.93 119.35 3k8x h MET 2030Ca 0.18 -0.21 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 3k8x h MET 2030Cb 0.51 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 3k8x h MET 2030CO 0.02 0.80 0.26 0.28 -0.40 0.00 0.00 176.91 177.87 3k8x h VAL 2031N 0.64 1.15 0.00 -5.77 2.07 -0.73 -0.61 116.25 113.00 3k8x h VAL 2031Ca 0.14 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3k8x h VAL 2031Cb 0.41 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3k8x h VAL 2031CO 0.01 0.16 0.23 1.23 0.02 0.00 0.00 177.57 179.22 3k8x h GLY 2032N 0.60 0.00 0.00 2.17 0.00 -1.42 0.05 103.07 104.46 3k8x h GLY 2032Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.33 3k8x h GLY 2032CO -0.03 0.00 -1.63 1.39 0.00 0.00 0.00 176.54 176.27 3k8x n ILE 2033N -2.54 0.63 -0.02 2.60 5.41 -0.92 -4.85 119.36 119.68 3k8x n ILE 2033Ca -0.02 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.49 3k8x n ILE 2033Cb 0.27 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 3k8x n ILE 2033CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3k8x n LYS 2034N -2.82 0.00 -3.15 0.38 4.76 -0.28 -4.69 118.16 112.36 3k8x n LYS 2034Ca -0.20 -0.43 -0.20 0.00 -2.87 0.00 0.00 58.31 54.62 3k8x n LYS 2034Cb 0.71 -0.92 -0.03 0.00 -1.84 0.00 0.00 35.03 32.94 3k8x n LYS 2034CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3k8x n PHE 2035N -0.12 0.91 -1.46 2.13 -0.00 -0.01 -4.99 117.46 113.91 3k8x n PHE 2035Ca 0.00 -3.84 -0.29 0.00 -0.00 0.00 0.00 57.45 53.31 3k8x n PHE 2035Cb 0.01 -0.43 0.18 0.00 -0.00 0.00 0.00 39.48 39.24 3k8x n PHE 2035CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3k8x s ARG 2036N -2.56 0.20 0.28 -4.13 1.81 -1.23 -4.67 118.95 108.65 3k8x s ARG 2036Ca 0.41 0.01 0.02 0.00 -1.72 0.00 0.00 55.73 54.46 3k8x s ARG 2036Cb 0.33 -1.75 0.60 0.00 -0.45 0.00 0.00 34.95 33.67 3k8x s ARG 2036CO -0.09 -2.78 1.80 0.00 -0.68 0.00 0.00 175.30 173.55 3k8x h ARG 2037N -1.91 0.80 -0.22 3.54 3.08 -1.98 -0.91 114.38 116.78 3k8x h ARG 2037Ca -0.47 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 59.59 3k8x h ARG 2037Cb 1.30 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 31.09 3k8x h ARG 2037CO 0.47 0.53 -0.29 1.49 -1.07 0.00 0.00 179.97 181.10 3k8x h GLU 2038N 0.83 -0.31 -0.43 0.04 4.81 -2.00 -0.98 114.58 116.54 3k8x h GLU 2038Ca 0.51 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.69 3k8x h GLU 2038Cb 0.65 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3k8x h GLU 2038CO -0.32 -0.20 -0.02 -0.22 -0.73 0.00 0.00 179.01 177.51 3k8x h LYS 2039N -0.32 0.70 0.30 1.92 3.64 -1.56 -1.58 116.57 119.67 3k8x h LYS 2039Ca 0.12 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3k8x h LYS 2039Cb 0.51 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3k8x h LYS 2039CO -0.40 0.73 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.25 3k8x h LEU 2040N 0.66 -0.49 -0.61 5.20 3.38 -0.83 -2.59 115.31 120.04 3k8x h LEU 2040Ca 0.13 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3k8x h LEU 2040Cb 0.44 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3k8x h LEU 2040CO 0.02 -0.31 0.21 -0.07 0.09 0.00 0.00 178.44 178.38 3k8x h LEU 2041N -0.48 0.86 -1.87 1.67 3.38 -0.99 0.10 115.31 117.99 3k8x h LEU 2041Ca -0.03 -0.19 0.26 0.00 0.09 0.00 0.00 57.88 58.01 3k8x h LEU 2041Cb 0.41 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3k8x h LEU 2041CO 0.02 0.82 0.66 0.44 0.09 0.00 0.00 178.44 180.47 3k8x h ASP 2042N 0.85 0.10 0.53 -0.43 5.19 -1.30 0.38 116.42 121.74 3k8x h ASP 2042Ca 0.20 0.01 -0.29 0.00 -0.62 0.00 0.00 57.03 56.34 3k8x h ASP 2042Cb 0.25 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 3k8x h ASP 2042CO -0.01 0.03 -1.64 0.74 -3.12 0.00 0.00 179.24 175.25 3k8x h THR 2043N 0.10 0.94 -0.02 0.35 2.02 -0.46 -2.55 112.91 113.29 3k8x h THR 2043Ca 0.46 -2.77 -0.00 0.00 0.77 0.00 0.00 66.41 64.87 3k8x h THR 2043Cb 1.66 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 70.55 3k8x h THR 2043CO -0.06 0.58 0.01 0.24 0.37 0.00 0.00 175.52 176.66 3k8x h MET 2044N 0.01 0.03 -0.01 6.66 2.86 -0.42 -2.43 114.93 121.62 3k8x h MET 2044Ca -0.26 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3k8x h MET 2044Cb 1.99 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.64 3k8x h MET 2044CO 0.09 0.10 0.39 -0.97 1.06 0.00 0.00 176.91 177.58 3k8x h ASN 2045N -0.05 0.00 0.00 1.22 -0.73 -0.27 0.28 115.58 116.03 3k8x h ASN 2045Ca 0.01 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 3k8x h ASN 2045Cb 0.08 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 3k8x h ASN 2045CO -0.00 0.00 -2.11 -1.14 -0.37 0.00 0.00 177.43 173.81 3k8x n ARG 2046N -2.88 0.72 -0.63 6.67 0.63 -0.96 -4.73 116.66 115.47 3k8x n ARG 2046Ca -0.02 -0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 3k8x n ARG 2046Cb 0.44 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 31.85 3k8x n ARG 2046CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3k8x n LEU 2047N -2.42 0.05 -4.37 6.15 -0.00 -0.86 -4.98 117.00 110.56 3k8x n LEU 2047Ca -0.15 -1.16 -0.36 0.00 -0.00 0.00 0.00 56.01 54.34 3k8x n LEU 2047Cb 0.78 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.07 3k8x n LEU 2047CO 0.43 0.57 -0.31 -0.62 -0.00 0.00 0.00 177.39 177.45 3k8x s ASP 2048N -0.81 4.87 0.21 1.45 2.15 0.94 -5.02 116.67 120.47 3k8x s ASP 2048Ca 0.04 -0.43 -0.08 0.00 0.43 0.00 0.00 52.55 52.51 3k8x s ASP 2048Cb 0.04 -1.85 0.16 0.00 -0.30 0.00 0.00 42.92 40.97 3k8x s ASP 2048CO -0.02 -0.08 1.78 0.44 -0.17 0.00 0.00 175.17 177.12 3k8x h ASP 2049N 8.20 1.09 -0.80 -0.34 3.32 -1.94 -2.55 116.42 123.40 3k8x h ASP 2049Ca -0.37 -0.17 0.12 0.00 0.02 0.00 0.00 57.03 56.63 3k8x h ASP 2049Cb 1.15 -0.28 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 3k8x h ASP 2049CO 0.59 0.96 0.42 0.11 -1.72 0.00 0.00 179.24 179.60 3k8x h LYS 2050N 1.15 0.64 -7.42 3.56 1.57 -1.95 -3.53 116.57 110.60 3k8x h LYS 2050Ca 0.27 -0.04 -0.46 0.00 -1.87 0.00 0.00 60.65 58.55 3k8x h LYS 2050Cb 0.20 -0.14 0.15 0.00 0.08 0.00 0.00 32.23 32.51 3k8x h LYS 2050CO -0.02 0.42 0.24 -0.47 -0.57 0.00 0.00 179.45 179.05 3k8x s TYR 2051N -6.02 2.29 -0.07 -1.35 5.04 -0.96 -5.15 117.35 111.13 3k8x s TYR 2051Ca -0.12 0.93 0.06 0.00 -2.44 0.00 0.00 57.07 55.50 3k8x s TYR 2051Cb 0.20 -3.31 0.15 0.00 0.35 0.00 0.00 41.96 39.34 3k8x s TYR 2051CO 0.77 -2.65 1.13 0.54 -1.34 0.00 0.00 175.55 174.00 3k8x n ARG 2080N -3.99 0.32 -0.48 4.97 1.74 -1.26 -4.76 116.66 113.20 3k8x n ARG 2080Ca 0.06 -1.25 0.08 0.00 -0.77 0.00 0.00 57.85 55.97 3k8x n ARG 2080Cb 0.58 0.35 0.27 0.00 -1.02 0.00 0.00 32.46 32.64 3k8x n ARG 2080CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3k8x n GLU 2081N -0.25 3.14 0.03 5.56 0.00 -1.26 -4.45 120.64 123.41 3k8x n GLU 2081Ca -0.21 -2.85 0.02 0.00 0.00 0.00 0.00 57.16 54.12 3k8x n GLU 2081Cb 0.79 -1.87 -0.09 0.00 0.00 0.00 0.00 31.44 30.28 3k8x n GLU 2081CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3k8x n LEU 2082N -0.33 0.69 -0.40 4.31 4.77 -1.26 -4.58 117.00 120.19 3k8x n LEU 2082Ca 0.22 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 3k8x n LEU 2082Cb 0.91 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 42.04 3k8x n LEU 2082CO 0.17 0.11 0.52 0.18 -1.33 0.00 0.00 177.39 177.04 3k8x n LEU 2083N -2.78 -0.89 -0.19 2.23 4.77 -1.26 -1.21 117.00 117.67 3k8x n LEU 2083Ca -0.10 1.75 -0.04 0.00 -0.03 0.00 0.00 56.01 57.60 3k8x n LEU 2083Cb 0.80 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3k8x n LEU 2083CO 0.43 -1.49 0.67 -0.65 -1.33 0.00 0.00 177.39 175.03 3k8x h PRO 2084N 0.00 -0.11 -0.03 3.23 0.11 -1.93 0.24 132.00 133.50 3k8x h PRO 2084Ca 0.23 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.19 3k8x h PRO 2084Cb 0.48 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3k8x h PRO 2084CO -0.95 -0.08 -0.69 0.97 -0.21 0.00 0.00 178.00 177.04 3k8x h ILE 2085N -0.12 1.44 -0.00 4.15 6.09 -1.73 -2.86 117.51 124.49 3k8x h ILE 2085Ca 0.25 -2.24 -0.16 0.00 -1.37 0.00 0.00 64.86 61.35 3k8x h ILE 2085Cb 0.52 2.19 -0.02 0.00 0.47 0.00 0.00 36.82 39.98 3k8x h ILE 2085CO -0.64 0.65 -0.73 1.88 -3.07 0.00 0.00 178.15 176.23 3k8x h TYR 2086N 0.10 0.05 0.22 2.19 -1.99 -0.07 -1.34 116.97 116.13 3k8x h TYR 2086Ca -0.02 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 3k8x h TYR 2086Cb 1.23 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.95 3k8x h TYR 2086CO 0.02 0.75 -0.10 0.78 -0.00 0.00 0.00 178.16 179.61 3k8x h GLY 2087N 2.09 -0.30 -0.07 3.88 0.00 -0.57 -1.90 103.07 106.21 3k8x h GLY 2087Ca -0.01 0.11 0.23 0.00 0.00 0.00 0.00 47.33 47.67 3k8x h GLY 2087CO 0.10 -0.11 0.61 1.46 0.00 0.00 0.00 176.54 178.60 3k8x h GLN 2088N -0.35 0.58 -0.55 4.80 1.08 -1.34 0.63 115.11 119.96 3k8x h GLN 2088Ca -0.03 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 3k8x h GLN 2088Cb 0.27 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3k8x h GLN 2088CO 0.05 0.38 -0.01 0.82 -0.95 0.00 0.00 178.83 179.12 3k8x h ILE 2089N 0.59 1.27 -0.43 2.54 2.04 -0.90 -1.73 117.51 120.90 3k8x h ILE 2089Ca 0.62 -1.14 -0.13 0.00 1.00 0.00 0.00 64.86 65.21 3k8x h ILE 2089Cb 1.19 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3k8x h ILE 2089CO -0.42 0.41 -0.25 0.77 0.00 0.00 0.00 178.15 178.65 3k8x h SER 2090N 0.86 0.96 -0.94 1.72 4.64 -0.15 -0.32 113.55 120.32 3k8x h SER 2090Ca 0.15 -0.42 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3k8x h SER 2090Cb 0.56 -0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 3k8x h SER 2090CO 0.03 1.17 0.60 -0.07 -0.87 0.00 0.00 176.83 177.69 3k8x h LEU 2091N 0.76 0.94 -0.45 5.97 3.38 -0.99 -0.34 115.31 124.58 3k8x h LEU 2091Ca 0.09 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 3k8x h LEU 2091Cb 0.83 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3k8x h LEU 2091CO 0.07 0.59 -0.58 -0.61 0.09 0.00 0.00 178.44 178.00 3k8x h GLN 2092N 1.07 0.60 -0.75 1.13 5.75 -1.06 -1.30 115.11 120.55 3k8x h GLN 2092Ca 0.41 -0.40 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3k8x h GLN 2092Cb 0.20 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 3k8x h GLN 2092CO -0.18 1.01 0.49 0.35 -2.65 0.00 0.00 178.83 177.85 3k8x h PHE 2093N 0.45 0.92 -0.05 3.99 3.57 -0.18 -2.07 116.94 123.57 3k8x h PHE 2093Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3k8x h PHE 2093Cb 1.14 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3k8x h PHE 2093CO 0.05 0.56 -0.01 0.00 -2.23 0.00 0.00 178.31 176.68 3k8x h ALA 2094N 1.29 0.06 -0.75 2.41 0.00 -0.95 -3.11 119.26 118.22 3k8x h ALA 2094Ca 0.28 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.18 3k8x h ALA 2094Cb -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3k8x h ALA 2094CO -0.08 -0.24 0.52 0.22 0.00 0.00 0.00 179.25 179.67 3k8x h ASP 2095N -0.25 0.23 0.68 0.00 3.58 -1.09 0.52 116.42 120.09 3k8x h ASP 2095Ca 0.01 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3k8x h ASP 2095Cb 0.38 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.41 3k8x h ASP 2095CO 0.00 0.11 0.00 -0.07 -2.88 0.00 0.00 179.24 176.40 3k8x h LEU 2096N 0.24 0.00 0.00 2.28 3.38 -1.30 -1.20 115.31 118.71 3k8x h LEU 2096Ca 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.29 3k8x h LEU 2096Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3k8x h LEU 2096CO -0.08 0.00 -0.38 0.45 0.09 0.00 0.00 178.44 178.52 3k8x h HIS 2097N 0.00 0.00 -0.30 1.13 3.86 -1.00 -3.38 115.15 115.46 3k8x h HIS 2097Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3k8x h HIS 2097Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3k8x h HIS 2097CO 0.00 0.24 0.00 -0.25 0.86 0.00 0.00 177.93 178.78 3k8x n ASP 2098N -3.10 3.31 -4.94 2.45 8.00 -0.45 -4.74 116.55 117.07 3k8x n ASP 2098Ca 0.02 -2.44 -0.24 0.00 0.71 0.00 0.00 54.79 52.84 3k8x n ASP 2098Cb 0.64 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3k8x n ASP 2098CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3k8x s ARG 2099N -1.87 3.49 0.50 -1.24 1.81 -1.26 -1.12 118.95 119.26 3k8x s ARG 2099Ca 0.28 -0.44 0.16 0.00 -1.72 0.00 0.00 55.73 54.00 3k8x s ARG 2099Cb 0.21 -2.76 1.18 0.00 -0.45 0.00 0.00 34.95 33.12 3k8x s ARG 2099CO 0.09 0.29 2.10 0.66 -0.68 0.00 0.00 175.30 177.75 3k8x h SER 2100N 1.19 0.00 -0.85 0.23 4.64 -1.83 0.03 113.55 116.96 3k8x h SER 2100Ca -0.50 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.89 3k8x h SER 2100Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 3k8x h SER 2100CO 0.63 0.06 0.55 0.28 -0.87 0.00 0.00 176.83 177.49 3k8x h SER 2101N 0.00 0.83 -0.34 4.97 0.02 -1.94 -0.76 113.55 116.34 3k8x h SER 2101Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3k8x h SER 2101Cb 0.11 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3k8x h SER 2101CO 0.01 0.54 -0.44 -0.09 -1.14 0.00 0.00 176.83 175.70 3k8x h ARG 2102N 0.94 0.91 -0.61 3.45 2.43 -1.28 -2.19 114.38 118.04 3k8x h ARG 2102Ca 0.36 -0.51 0.10 0.00 -0.81 0.00 0.00 59.98 59.12 3k8x h ARG 2102Cb 0.21 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 3k8x h ARG 2102CO -0.13 1.16 0.20 0.52 -1.51 0.00 0.00 179.97 180.21 3k8x h MET 2103N 0.73 0.35 -0.41 0.20 2.86 -1.17 0.15 114.93 117.64 3k8x h MET 2103Ca 0.04 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3k8x h MET 2103Cb 1.04 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 3k8x h MET 2103CO 0.10 0.23 -0.00 0.28 1.06 0.00 0.00 176.91 178.58 3k8x h VAL 2104N 0.36 1.26 -0.64 -2.22 2.07 -1.12 -1.61 116.25 114.35 3k8x h VAL 2104Ca 0.31 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3k8x h VAL 2104Cb 0.41 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3k8x h VAL 2104CO -0.34 0.35 0.30 0.00 0.02 0.00 0.00 177.57 177.90 3k8x h ALA 2105N 0.89 1.32 -0.00 1.67 0.00 -0.68 -2.11 119.26 120.35 3k8x h ALA 2105Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k8x h ALA 2105Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3k8x h ALA 2105CO 0.02 0.52 -0.19 1.63 0.00 0.00 0.00 179.25 181.23 3k8x n LYS 2106N -4.34 0.19 -1.79 0.00 4.76 0.46 -4.94 118.16 112.50 3k8x n LYS 2106Ca 0.06 -0.06 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 3k8x n LYS 2106Cb 0.14 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3k8x n LYS 2106CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k8x n GLY 2107N 1.44 0.35 0.25 0.72 0.00 -0.70 -4.96 105.19 102.29 3k8x n GLY 2107Ca 0.09 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.41 3k8x n GLY 2107CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k8x n VAL 2108N -3.70 0.00 -4.30 1.61 0.24 -0.69 -4.92 118.33 106.57 3k8x n VAL 2108Ca -0.04 -0.13 -0.19 0.00 -2.04 0.00 0.00 64.34 61.94 3k8x n VAL 2108Cb 0.41 0.99 -0.11 0.00 -1.47 0.00 0.00 33.84 33.66 3k8x n VAL 2108CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3k8x s ILE 2109N -2.71 1.60 0.12 1.34 -4.36 -1.25 -4.83 121.20 111.10 3k8x s ILE 2109Ca 0.15 -1.96 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 3k8x s ILE 2109Cb 0.17 -1.81 -0.12 0.00 1.25 0.00 0.00 42.46 41.95 3k8x s ILE 2109CO 0.68 -0.46 1.36 0.28 0.24 0.00 0.00 174.94 177.04 3k8x h SER 2110N 3.09 0.94 -4.93 4.36 0.02 -1.09 -3.46 113.55 112.48 3k8x h SER 2110Ca -0.40 -0.56 -0.04 0.00 -0.84 0.00 0.00 61.79 59.95 3k8x h SER 2110Cb 1.21 -0.27 -0.19 0.00 0.14 0.00 0.00 62.40 63.29 3k8x h SER 2110CO 0.55 1.36 0.22 -0.54 -1.14 0.00 0.00 176.83 177.28 3k8x s LYS 2111N -3.92 1.04 0.09 3.45 1.02 -1.26 -5.09 119.74 115.07 3k8x s LYS 2111Ca -0.10 0.18 -0.14 0.00 0.02 0.00 0.00 55.97 55.93 3k8x s LYS 2111Cb 0.09 0.49 -0.06 0.00 -0.52 0.00 0.00 37.83 37.83 3k8x s LYS 2111CO 0.90 -0.34 0.49 -1.83 -0.92 0.00 0.00 175.35 173.64 3k8x s GLU 2112N -1.44 3.93 0.19 1.68 -1.05 -1.26 -2.76 118.70 117.99 3k8x s GLU 2112Ca -0.09 0.42 0.05 0.00 -0.15 0.00 0.00 54.97 55.19 3k8x s GLU 2112Cb -0.00 -3.03 -0.05 0.00 -0.44 0.00 0.00 34.13 30.61 3k8x s GLU 2112CO 0.07 0.56 -0.07 -0.51 0.95 0.00 0.00 175.26 176.25 3k8x s LEU 2113N -1.70 2.42 -0.20 1.83 1.43 -0.14 -4.91 118.68 117.41 3k8x s LEU 2113Ca 0.33 -1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 3k8x s LEU 2113Cb -0.15 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 3k8x s LEU 2113CO 0.18 -0.36 0.05 -1.61 0.23 0.00 0.00 176.35 174.84 3k8x s GLU 2114N -3.77 3.85 0.25 1.70 2.02 -1.26 -0.28 118.70 121.21 3k8x s GLU 2114Ca 0.22 -0.40 -0.08 0.00 0.02 0.00 0.00 54.97 54.73 3k8x s GLU 2114Cb 0.03 -3.21 0.42 0.00 0.10 0.00 0.00 34.13 31.47 3k8x s GLU 2114CO 0.05 0.14 1.61 2.35 0.02 0.00 0.00 175.26 179.44 3k8x h TRP 2115N 7.13 -0.20 0.00 1.61 2.91 -1.98 -0.93 115.95 124.48 3k8x h TRP 2115Ca -0.36 0.06 -0.03 0.00 1.13 0.00 0.00 58.89 59.69 3k8x h TRP 2115Cb 1.17 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 30.03 3k8x h TRP 2115CO 0.59 -0.30 -0.13 1.79 -1.03 0.00 0.00 178.44 179.36 3k8x h THR 2116N 0.05 0.55 -0.26 2.65 1.35 -1.96 -1.33 112.91 113.97 3k8x h THR 2116Ca 0.41 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3k8x h THR 2116Cb 0.71 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3k8x h THR 2116CO -0.75 0.13 0.00 -0.62 -0.25 0.00 0.00 175.52 174.04 3k8x n GLU 2117N -3.59 2.23 -0.16 4.72 -0.58 -0.38 -1.19 120.64 121.68 3k8x n GLU 2117Ca -0.01 -1.85 -0.09 0.00 -0.42 0.00 0.00 57.16 54.79 3k8x n GLU 2117Cb 0.27 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.71 3k8x n GLU 2117CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k8x h ALA 2118N 4.41 0.83 -0.11 0.62 0.00 -0.90 -1.79 119.26 122.32 3k8x h ALA 2118Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3k8x h ALA 2118Cb 0.83 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k8x h ALA 2118CO 0.00 0.66 0.05 -0.09 0.00 0.00 0.00 179.25 179.86 3k8x h ARG 2119N 0.86 0.16 -0.26 0.00 2.43 -1.81 0.34 114.38 116.09 3k8x h ARG 2119Ca 0.14 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3k8x h ARG 2119Cb 0.65 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3k8x h ARG 2119CO 0.05 0.24 0.15 0.00 -1.51 0.00 0.00 179.97 178.89 3k8x h ARG 2120N 0.04 0.30 0.14 0.20 3.08 -1.71 -1.00 114.38 115.43 3k8x h ARG 2120Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3k8x h ARG 2120Cb 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3k8x h ARG 2120CO -0.00 0.20 -0.07 0.35 -1.07 0.00 0.00 179.97 179.38 3k8x h PHE 2121N 0.31 -0.17 -0.32 3.04 3.57 -0.98 -3.11 116.94 119.28 3k8x h PHE 2121Ca 0.10 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3k8x h PHE 2121Cb 0.00 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3k8x h PHE 2121CO -0.08 -0.06 -0.30 0.74 -2.23 0.00 0.00 178.31 176.38 3k8x h PHE 2122N -0.24 0.77 -0.08 0.41 0.05 -0.25 -1.30 116.94 116.29 3k8x h PHE 2122Ca -0.02 -0.19 0.04 0.00 3.82 0.00 0.00 57.97 61.62 3k8x h PHE 2122Cb 0.19 -0.18 -0.05 0.00 2.00 0.00 0.00 35.95 37.91 3k8x h PHE 2122CO -0.05 0.89 -0.25 0.35 -0.18 0.00 0.00 178.31 179.07 3k8x h PHE 2123N 0.57 -0.66 0.00 -0.55 3.57 -1.22 0.22 116.94 118.88 3k8x h PHE 2123Ca 0.07 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 3k8x h PHE 2123Cb 0.80 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3k8x h PHE 2123CO 0.04 -0.33 -0.59 -1.49 -2.23 0.00 0.00 178.31 173.70 3k8x h TRP 2124N -0.34 0.00 -0.11 0.41 4.06 -1.45 -1.12 115.95 117.40 3k8x h TRP 2124Ca 0.09 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.00 3k8x h TRP 2124Cb 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 3k8x h TRP 2124CO -0.32 0.59 -0.06 -0.09 -3.56 0.00 0.00 178.44 175.01 3k8x h ARG 2125N 0.00 0.23 -0.20 0.49 9.65 -0.98 -0.63 114.38 122.93 3k8x h ARG 2125Ca -0.01 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3k8x h ARG 2125Cb 1.20 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.77 3k8x h ARG 2125CO 0.08 0.58 0.13 1.25 2.80 0.00 0.00 179.97 184.81 3k8x h LEU 2126N -0.14 0.24 -0.80 3.80 5.85 -0.56 0.51 115.31 124.21 3k8x h LEU 2126Ca 0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3k8x h LEU 2126Cb 0.52 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3k8x h LEU 2126CO 0.02 0.18 0.49 -0.09 -0.34 0.00 0.00 178.44 178.69 3k8x h ARG 2127N 0.27 1.09 -0.38 1.25 2.43 -1.21 0.36 114.38 118.18 3k8x h ARG 2127Ca 0.07 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3k8x h ARG 2127Cb -0.02 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 3k8x h ARG 2127CO -0.02 0.77 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.84 3k8x h ARG 2128N 1.10 0.82 -0.68 0.20 1.12 -0.88 -2.47 114.38 113.59 3k8x h ARG 2128Ca 0.29 -0.37 -0.07 0.00 -1.11 0.00 0.00 59.98 58.72 3k8x h ARG 2128Cb -0.05 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 3k8x h ARG 2128CO -0.05 1.00 0.16 0.00 -3.11 0.00 0.00 179.97 177.96 3k8x h ARG 2129N 0.70 1.09 -0.97 0.20 3.08 0.08 -1.32 114.38 117.24 3k8x h ARG 2129Ca 0.08 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.88 3k8x h ARG 2129Cb 0.82 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 3k8x h ARG 2129CO 0.07 0.97 0.64 -0.07 -1.07 0.00 0.00 179.97 180.51 3k8x h LEU 2130N 1.03 1.12 -0.25 3.04 3.38 -0.18 0.22 115.31 123.67 3k8x h LEU 2130Ca 0.21 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3k8x h LEU 2130Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k8x h LEU 2130CO 0.00 0.82 -0.06 0.78 0.09 0.00 0.00 178.44 180.07 3k8x h ASN 2131N 1.32 0.49 -0.44 -0.43 4.21 -1.19 -2.27 115.58 117.27 3k8x h ASN 2131Ca 0.36 -0.36 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 3k8x h ASN 2131Cb -0.15 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 36.91 3k8x h ASN 2131CO -0.08 0.74 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.31 3k8x h GLU 2132N 0.23 0.93 -0.41 0.81 5.08 -0.95 -2.70 114.58 117.57 3k8x h GLU 2132Ca 0.06 -0.36 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3k8x h GLU 2132Cb 0.52 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3k8x h GLU 2132CO 0.02 1.01 0.14 0.93 -1.00 0.00 0.00 179.01 180.11 3k8x h GLU 2133N 0.82 0.28 -0.86 2.33 4.39 -0.95 0.28 114.58 120.86 3k8x h GLU 2133Ca 0.12 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.92 3k8x h GLU 2133Cb 0.70 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 3k8x h GLU 2133CO 0.05 0.19 0.49 -0.92 -1.16 0.00 0.00 179.01 177.66 3k8x h TYR 2134N 0.29 0.88 -0.03 4.33 3.20 -1.28 -0.40 116.97 123.96 3k8x h TYR 2134Ca 0.19 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.90 3k8x h TYR 2134Cb 0.19 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3k8x h TYR 2134CO -0.16 0.31 -0.81 -0.07 -1.64 0.00 0.00 178.16 175.79 3k8x h LEU 2135N 0.77 0.41 -0.25 2.82 3.38 -0.99 -2.21 115.31 119.24 3k8x h LEU 2135Ca 0.44 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3k8x h LEU 2135Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3k8x h LEU 2135CO -0.29 1.06 0.14 0.40 0.09 0.00 0.00 178.44 179.84 3k8x h ILE 2136N 0.21 1.12 -0.83 1.22 2.04 -0.05 -1.47 117.51 119.75 3k8x h ILE 2136Ca -0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3k8x h ILE 2136Cb 1.41 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3k8x h ILE 2136CO 0.13 0.12 0.49 0.11 0.00 0.00 0.00 178.15 179.00 3k8x h LYS 2137N 0.29 1.14 -0.54 2.37 1.57 -1.08 -0.30 116.57 120.02 3k8x h LYS 2137Ca 0.09 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3k8x h LYS 2137Cb 0.06 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3k8x h LYS 2137CO -0.01 0.81 0.31 0.00 -0.57 0.00 0.00 179.45 179.98 3k8x h ARG 2138N 1.14 0.73 -0.03 3.15 2.47 -1.13 -2.49 114.38 118.23 3k8x h ARG 2138Ca 0.30 -0.07 -0.18 0.00 -1.26 0.00 0.00 59.98 58.77 3k8x h ARG 2138Cb -0.02 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 3k8x h ARG 2138CO -0.05 0.53 -0.76 1.25 0.56 0.00 0.00 179.97 181.50 3k8x h LEU 2139N 0.74 0.29 -1.78 3.04 5.85 -0.52 -2.95 115.31 119.99 3k8x h LEU 2139Ca 0.19 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3k8x h LEU 2139Cb -0.00 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3k8x h LEU 2139CO -0.03 0.94 -0.05 0.28 -0.34 0.00 0.00 178.44 179.24 3k8x h SER 2140N 0.15 0.00 -0.15 1.25 0.02 -0.63 -2.84 113.55 111.35 3k8x h SER 2140Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3k8x h SER 2140Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3k8x h SER 2140CO 0.12 0.05 0.00 1.41 -1.14 0.00 0.00 176.83 177.26 3k8x n HIS 2141N -3.21 0.20 -1.19 3.45 8.25 -1.07 -4.84 115.22 116.81 3k8x n HIS 2141Ca -0.01 -0.10 -0.18 0.00 -0.26 0.00 0.00 57.72 57.18 3k8x n HIS 2141Cb 0.27 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.51 3k8x n HIS 2141CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3k8x n GLN 2142N 0.04 -1.55 -0.08 -0.41 7.27 -1.07 -5.06 117.38 116.51 3k8x n GLN 2142Ca 0.13 -1.15 -0.19 0.00 0.07 0.00 0.00 57.00 55.87 3k8x n GLN 2142Cb 0.23 -0.91 -0.12 0.00 2.41 0.00 0.00 30.24 31.85 3k8x n GLN 2142CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3k8x h VAL 2143N -1.86 1.25 -3.21 1.69 2.07 -1.88 -3.45 116.25 110.86 3k8x h VAL 2143Ca -0.25 -2.26 -0.73 0.00 0.82 0.00 0.00 66.70 64.27 3k8x h VAL 2143Cb 0.74 2.69 -0.22 0.00 -1.52 0.00 0.00 31.29 32.97 3k8x h VAL 2143CO 0.17 0.45 -0.22 -0.83 0.02 0.00 0.00 177.57 177.16 3k8x s GLY 2144N -4.63 2.00 0.36 2.17 0.00 -1.26 -5.07 107.32 100.89 3k8x s GLY 2144Ca -0.25 -2.19 0.04 0.00 0.00 0.00 0.00 44.72 42.32 3k8x s GLY 2144CO 0.64 1.19 0.53 -0.54 0.00 0.00 0.00 173.10 174.92 3k8x s GLU 2145N 1.84 3.19 0.29 2.90 8.01 -1.26 -5.11 118.70 128.55 3k8x s GLU 2145Ca 0.06 -0.73 -0.00 0.00 0.01 0.00 0.00 54.97 54.31 3k8x s GLU 2145Cb -0.25 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 26.85 3k8x s GLU 2145CO 0.06 0.01 0.39 0.00 0.01 0.00 0.00 175.26 175.73 3k8x n ALA 2146N -1.77 -0.15 -1.20 5.21 0.00 -1.26 -5.17 120.51 116.17 3k8x n ALA 2146Ca -0.01 -1.41 -0.30 0.00 0.00 0.00 0.00 53.44 51.72 3k8x n ALA 2146Cb 0.58 1.13 0.14 0.00 0.00 0.00 0.00 19.45 21.30 3k8x n ALA 2146CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3k8x s SER 2147N -2.85 3.37 0.20 0.00 1.04 -1.26 -4.88 113.70 109.33 3k8x s SER 2147Ca 0.26 1.45 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 3k8x s SER 2147Cb -0.00 -2.13 0.14 0.00 0.10 0.00 0.00 66.02 64.13 3k8x s SER 2147CO 0.18 -2.70 1.85 -0.09 0.98 0.00 0.00 173.24 173.47 3k8x h ARG 2148N -1.59 0.99 -0.52 4.02 1.12 -2.02 -2.11 114.38 114.27 3k8x h ARG 2148Ca -0.50 -0.09 0.06 0.00 -1.11 0.00 0.00 59.98 58.34 3k8x h ARG 2148Cb 1.29 -0.21 -0.05 0.00 -0.01 0.00 0.00 29.97 30.99 3k8x h ARG 2148CO 0.55 0.70 0.24 1.25 -3.11 0.00 0.00 179.97 179.59 3k8x h LEU 2149N 1.00 0.31 -0.82 3.80 6.46 -1.99 -1.41 115.31 122.65 3k8x h LEU 2149Ca 0.26 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.95 3k8x h LEU 2149Cb -0.04 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3k8x h LEU 2149CO -0.05 0.21 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.27 3k8x h GLU 2150N 0.46 0.41 0.06 1.25 5.08 -1.86 -2.14 114.58 117.84 3k8x h GLU 2150Ca 0.24 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3k8x h GLU 2150Cb 0.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3k8x h GLU 2150CO -0.19 0.74 -0.03 0.87 -1.00 0.00 0.00 179.01 179.40 3k8x h LYS 2151N 0.35 -0.08 -0.42 2.33 1.57 -1.08 -2.70 116.57 116.54 3k8x h LYS 2151Ca 0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3k8x h LYS 2151Cb 0.83 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 3k8x h LYS 2151CO 0.07 0.52 0.21 0.97 -0.57 0.00 0.00 179.45 180.65 3k8x h ILE 2152N -0.87 1.14 -0.55 1.86 6.09 -1.34 -1.34 117.51 122.51 3k8x h ILE 2152Ca -0.01 -0.38 -0.09 0.00 -1.37 0.00 0.00 64.86 63.01 3k8x h ILE 2152Cb 0.63 0.59 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 3k8x h ILE 2152CO 0.01 0.16 -0.02 0.00 -3.07 0.00 0.00 178.15 175.24 3k8x h ALA 2153N 1.65 0.94 -0.13 0.18 0.00 -1.45 -1.16 119.26 119.29 3k8x h ALA 2153Ca 0.15 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 3k8x h ALA 2153Cb 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3k8x h ALA 2153CO -0.02 0.63 -0.65 -0.09 0.00 0.00 0.00 179.25 179.12 3k8x h ARG 2154N 0.87 0.67 -0.28 0.00 2.43 -1.05 -1.49 114.38 115.54 3k8x h ARG 2154Ca 0.16 -0.55 0.02 0.00 -0.81 0.00 0.00 59.98 58.80 3k8x h ARG 2154Cb 0.53 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 3k8x h ARG 2154CO 0.03 1.17 0.11 0.82 -1.51 0.00 0.00 179.97 180.59 3k8x h ILE 2155N 0.35 0.95 0.00 1.20 2.04 -1.22 -2.04 117.51 118.79 3k8x h ILE 2155Ca -0.04 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3k8x h ILE 2155Cb 1.29 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3k8x h ILE 2155CO 0.14 0.04 -0.07 0.03 0.00 0.00 0.00 178.15 178.29 3k8x h ARG 2156N 0.25 0.00 0.00 2.37 3.08 -1.17 -0.30 114.38 118.61 3k8x h ARG 2156Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3k8x h ARG 2156Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3k8x h ARG 2156CO -0.11 0.07 0.00 -1.13 -1.07 0.00 0.00 179.97 177.74 3k8x n SER 2157N -3.66 0.51 0.11 7.04 3.41 -0.56 -2.29 113.62 118.17 3k8x n SER 2157Ca -0.02 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3k8x n SER 2157Cb 0.18 -0.72 0.22 0.00 -0.26 0.00 0.00 64.21 63.64 3k8x n SER 2157CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3k8x h TRP 2158N 0.00 0.00 -4.00 7.33 6.55 -0.92 -3.46 115.95 121.45 3k8x h TRP 2158Ca 0.00 0.00 -0.51 0.00 0.95 0.00 0.00 58.89 59.33 3k8x h TRP 2158Cb 0.44 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 28.81 3k8x h TRP 2158CO 0.00 0.00 0.50 0.71 -1.05 0.00 0.00 178.44 178.60 3k8x s TYR 2159N -3.18 2.83 0.52 0.49 4.12 -0.97 -4.96 117.35 116.21 3k8x s TYR 2159Ca 0.07 1.52 -0.21 0.00 0.02 0.00 0.00 57.07 58.47 3k8x s TYR 2159Cb 0.11 -3.42 -0.07 0.00 -1.52 0.00 0.00 41.96 37.07 3k8x s TYR 2159CO 0.68 -1.62 1.09 -2.30 0.02 0.00 0.00 175.55 173.43 3k8x n PRO 2160N -0.53 1.30 -0.30 -1.71 -0.02 -1.26 -4.86 135.00 127.63 3k8x n PRO 2160Ca 0.07 0.48 0.23 0.00 -2.02 0.00 0.00 63.50 62.26 3k8x n PRO 2160Cb 0.48 -2.25 0.53 0.00 -0.02 0.00 0.00 33.50 32.24 3k8x n PRO 2160CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k8x h ALA 2161N 1.14 2.31 0.00 3.55 0.00 -1.94 -1.32 119.26 123.00 3k8x h ALA 2161Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3k8x h ALA 2161Cb 1.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3k8x h ALA 2161CO 0.55 -0.68 -0.09 0.77 0.00 0.00 0.00 179.25 179.80 3k8x h SER 2162N 0.36 0.00 -3.31 0.00 0.02 -2.04 -3.45 113.55 105.14 3k8x h SER 2162Ca 0.56 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.95 3k8x h SER 2162Cb 1.48 0.00 0.05 0.00 0.14 0.00 0.00 62.40 64.08 3k8x h SER 2162CO -0.24 0.02 0.76 -0.69 -1.14 0.00 0.00 176.83 175.54 3k8x s VAL 2163N -3.12 2.72 -0.42 2.27 1.01 -0.50 -4.96 120.40 117.40 3k8x s VAL 2163Ca 0.10 0.59 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 3k8x s VAL 2163Cb 0.12 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.15 3k8x s VAL 2163CO 0.62 0.09 0.86 -0.62 0.00 0.00 0.00 175.10 176.04 3k8x s ASP 2164N 0.47 6.52 0.59 3.32 3.68 -1.26 -4.92 116.67 125.06 3k8x s ASP 2164Ca 0.60 0.18 0.29 0.00 2.13 0.00 0.00 52.55 55.76 3k8x s ASP 2164Cb -0.41 -2.42 1.63 0.00 -1.45 0.00 0.00 42.92 40.26 3k8x s ASP 2164CO 0.41 -0.92 2.07 0.45 0.13 0.00 0.00 175.17 177.31 3k8x h HIS 2165N 8.83 0.00 -0.00 -5.34 3.86 -1.96 0.79 115.15 121.33 3k8x h HIS 2165Ca -0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3k8x h HIS 2165Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3k8x h HIS 2165CO 0.83 0.00 -0.06 0.39 0.86 0.00 0.00 177.93 179.95 3k8x n GLU 2166N -3.78 0.61 -3.34 2.45 1.02 -1.26 -4.74 120.64 111.60 3k8x n GLU 2166Ca 0.03 -0.13 -0.44 0.00 -0.02 0.00 0.00 57.16 56.59 3k8x n GLU 2166Cb 0.38 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 3k8x n GLU 2166CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k8x s ASP 2167N -2.48 6.16 0.14 1.62 -1.08 0.27 -4.93 116.67 116.37 3k8x s ASP 2167Ca 0.30 -1.28 -0.18 0.00 -0.52 0.00 0.00 52.55 50.87 3k8x s ASP 2167Cb 0.20 -2.21 -0.01 0.00 -1.46 0.00 0.00 42.92 39.45 3k8x s ASP 2167CO 0.46 -0.71 1.75 0.44 0.52 0.00 0.00 175.17 177.63 3k8x h ASP 2168N 8.82 0.11 -0.42 -0.34 3.32 -1.86 0.02 116.42 126.07 3k8x h ASP 2168Ca -0.28 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3k8x h ASP 2168Cb 1.11 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3k8x h ASP 2168CO 0.91 0.10 0.05 -0.09 -1.72 0.00 0.00 179.24 178.49 3k8x h ARG 2169N 0.22 0.70 -0.18 3.56 2.43 -1.92 0.30 114.38 119.47 3k8x h ARG 2169Ca 0.11 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3k8x h ARG 2169Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3k8x h ARG 2169CO -0.11 0.75 0.09 0.37 -1.51 0.00 0.00 179.97 179.55 3k8x h GLN 2170N 0.55 0.26 -0.29 0.20 4.15 -1.83 0.97 115.11 119.11 3k8x h GLN 2170Ca 0.12 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3k8x h GLN 2170Cb 0.40 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3k8x h GLN 2170CO 0.01 0.29 0.16 0.28 -1.93 0.00 0.00 178.83 177.64 3k8x h VAL 2171N 0.17 1.12 -0.33 2.39 2.07 -0.75 -0.36 116.25 120.57 3k8x h VAL 2171Ca 0.06 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3k8x h VAL 2171Cb 0.11 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3k8x h VAL 2171CO -0.01 0.12 0.20 0.00 0.02 0.00 0.00 177.57 177.90 3k8x h ALA 2172N 1.04 0.41 -0.59 1.67 0.00 -0.74 -1.70 119.26 119.35 3k8x h ALA 2172Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3k8x h ALA 2172Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3k8x h ALA 2172CO -0.02 -0.16 0.19 1.15 0.00 0.00 0.00 179.25 180.42 3k8x h THR 2173N 0.40 1.24 -0.53 0.00 2.02 -0.42 -1.57 112.91 114.05 3k8x h THR 2173Ca 0.13 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.38 3k8x h THR 2173Cb -0.01 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3k8x h THR 2173CO -0.05 0.31 -0.13 -0.25 0.37 0.00 0.00 175.52 175.76 3k8x h TRP 2174N 0.84 1.14 -0.47 3.16 7.01 -0.91 -2.13 115.95 124.58 3k8x h TRP 2174Ca 0.19 -0.24 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 3k8x h TRP 2174Cb 0.28 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3k8x h TRP 2174CO 0.02 1.06 0.25 0.82 -2.79 0.00 0.00 178.44 177.80 3k8x h ILE 2175N 0.90 1.17 0.00 2.65 2.04 -1.10 -2.48 117.51 120.69 3k8x h ILE 2175Ca 0.13 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3k8x h ILE 2175Cb 0.70 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3k8x h ILE 2175CO 0.05 0.19 -0.40 -0.33 0.00 0.00 0.00 178.15 177.66 3k8x h GLU 2176N 0.62 0.00 0.00 2.37 5.08 -1.14 -0.68 114.58 120.83 3k8x h GLU 2176Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3k8x h GLU 2176Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3k8x h GLU 2176CO -0.03 0.40 -0.04 0.93 -1.00 0.00 0.00 179.01 179.27 3k8x h GLU 2177N 0.00 0.00 0.00 2.33 5.08 -1.23 -3.36 114.58 117.40 3k8x h GLU 2177Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k8x h GLU 2177Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3k8x h GLU 2177CO 0.05 0.04 -0.01 0.09 -1.00 0.00 0.00 179.01 178.19 3k8x n ASN 2178N -3.18 1.53 -0.28 1.42 3.02 -0.40 -4.85 115.26 112.53 3k8x n ASN 2178Ca -0.00 -1.81 0.03 0.00 -0.03 0.00 0.00 54.58 52.76 3k8x n ASN 2178Cb 0.30 -0.02 0.10 0.00 -0.61 0.00 0.00 39.78 39.55 3k8x n ASN 2178CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3k8x h TYR 2179N 0.00 -0.39 -0.61 3.10 0.99 -1.34 0.27 116.97 118.98 3k8x h TYR 2179Ca 0.00 0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.71 3k8x h TYR 2179Cb 0.64 0.30 -0.02 0.00 1.00 0.00 0.00 36.73 38.65 3k8x h TYR 2179CO 0.00 -0.34 0.03 0.87 -0.00 0.00 0.00 178.16 178.72 3k8x h LYS 2180N 0.01 1.06 -0.50 4.88 1.57 -1.89 0.13 116.57 121.82 3k8x h LYS 2180Ca 0.39 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3k8x h LYS 2180Cb 0.60 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3k8x h LYS 2180CO -0.81 1.02 -0.01 1.15 -0.57 0.00 0.00 179.45 180.23 3k8x h THR 2181N 0.96 1.25 -0.45 -0.16 2.02 -1.44 0.11 112.91 115.20 3k8x h THR 2181Ca 0.18 -1.06 -0.13 0.00 0.77 0.00 0.00 66.41 66.16 3k8x h THR 2181Cb 0.53 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3k8x h THR 2181CO 0.03 0.38 -0.24 -0.07 0.37 0.00 0.00 175.52 175.98 3k8x h LEU 2182N 0.79 1.00 -0.72 2.58 3.38 -0.28 -2.71 115.31 119.34 3k8x h LEU 2182Ca 0.15 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.77 3k8x h LEU 2182Cb 0.49 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3k8x h LEU 2182CO 0.02 1.19 0.42 -0.78 0.09 0.00 0.00 178.44 179.38 3k8x h ASP 2183N 0.81 0.63 -1.01 -0.43 3.58 -0.35 -1.12 116.42 118.53 3k8x h ASP 2183Ca 0.10 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.59 3k8x h ASP 2183Cb 0.82 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.72 3k8x h ASP 2183CO 0.07 0.41 0.67 0.44 -2.88 0.00 0.00 179.24 177.95 3k8x h ASP 2184N 0.77 1.14 -0.33 2.28 3.45 -0.90 -0.28 116.42 122.56 3k8x h ASP 2184Ca 0.32 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.71 3k8x h ASP 2184Cb 0.17 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 3k8x h ASP 2184CO -0.17 0.82 0.07 0.50 -1.57 0.00 0.00 179.24 178.89 3k8x h LYS 2185N 1.34 0.63 -0.11 3.56 3.64 -1.03 -2.22 116.57 122.39 3k8x h LYS 2185Ca 0.38 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3k8x h LYS 2185Cb -0.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3k8x h LYS 2185CO -0.09 0.60 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.37 3k8x h LEU 2186N 0.61 0.41 -0.82 5.20 3.38 -0.39 -3.03 115.31 120.67 3k8x h LEU 2186Ca 0.14 -0.57 0.17 0.00 0.09 0.00 0.00 57.88 57.70 3k8x h LEU 2186Cb 0.28 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 3k8x h LEU 2186CO 0.00 0.91 0.36 0.11 0.09 0.00 0.00 178.44 179.91 3k8x h LYS 2187N -0.07 0.46 0.00 1.13 6.56 -0.92 -1.15 116.57 122.58 3k8x h LYS 2187Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3k8x h LYS 2187Cb 0.85 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 3k8x h LYS 2187CO 0.05 0.30 0.00 0.41 -2.06 0.00 0.00 179.45 178.16 3k8x n GLY 2188N -1.33 -1.43 0.09 3.86 0.00 -0.85 -2.61 105.19 102.91 3k8x n GLY 2188Ca 0.17 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 3k8x n GLY 2188CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k8x h LEU 2189N 0.00 0.12 -0.42 0.99 4.07 -1.10 -3.34 115.31 115.63 3k8x h LEU 2189Ca 0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.73 3k8x h LEU 2189Cb 0.50 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3k8x h LEU 2189CO 0.00 1.17 0.12 0.11 -1.08 0.00 0.00 178.44 178.75 3k8x h LYS 2190N 0.02 0.67 -1.38 1.13 1.57 -1.24 -2.41 116.57 114.93 3k8x h LYS 2190Ca -0.22 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3k8x h LYS 2190Cb 1.96 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.17 3k8x h LYS 2190CO 0.11 0.67 0.00 1.28 -0.57 0.00 0.00 179.45 180.94 3k8x n LEU 2191N -4.56 1.84 0.00 2.94 4.32 -1.07 -0.97 117.00 119.49 3k8x n LEU 2191Ca 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 56.01 55.07 3k8x n LEU 2191Cb 0.20 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 3k8x n LEU 2191CO 0.38 0.31 0.04 -0.62 -1.22 0.00 0.00 177.39 176.28 3k8x n GLU 2192N 0.69 0.00 -2.67 3.23 -0.58 -0.94 -4.92 120.64 115.44 3k8x n GLU 2192Ca 0.00 -0.08 -0.27 0.00 -0.42 0.00 0.00 57.16 56.39 3k8x n GLU 2192Cb 0.31 -0.19 -0.02 0.00 -0.57 0.00 0.00 31.44 30.97 3k8x n GLU 2192CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3k8x n SER 2193N 0.00 4.62 -0.10 1.62 7.64 -0.15 -4.44 113.62 122.81 3k8x n SER 2193Ca 0.00 -3.71 -0.22 0.00 1.01 0.00 0.00 58.87 55.95 3k8x n SER 2193Cb 0.36 -0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.93 3k8x n SER 2193CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3k8x n PHE 2194N -0.38 0.39 1.12 1.43 7.35 -1.26 -4.69 117.46 121.41 3k8x n PHE 2194Ca 0.36 0.11 0.09 0.00 -0.76 0.00 0.00 57.45 57.24 3k8x n PHE 2194Cb 0.55 -1.05 0.53 0.00 0.35 0.00 0.00 39.48 39.86 3k8x n PHE 2194CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00