#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8x n ARG 1481N 0.00 0.00 -3.63 3.23 5.12 -1.26 -5.08 116.66 115.04 3k8x n ARG 1481Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 3k8x n ARG 1481Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 3k8x n ARG 1481CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3k8x s PRO 1482N -2.00 4.13 0.04 5.56 0.04 -1.26 -5.12 135.00 136.39 3k8x s PRO 1482Ca 0.00 -0.00 -0.14 0.00 0.04 0.00 0.00 61.00 60.89 3k8x s PRO 1482Cb 0.00 -3.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 3k8x s PRO 1482CO 0.00 0.34 1.22 0.82 0.04 0.00 0.00 177.00 179.43 3k8x h ILE 1483N 4.54 0.00 -2.10 0.56 2.04 -2.04 -3.40 117.51 117.12 3k8x h ILE 1483Ca -0.43 0.00 -0.57 0.00 1.00 0.00 0.00 64.86 64.86 3k8x h ILE 1483Cb 1.17 0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 36.86 3k8x h ILE 1483CO 0.73 0.00 -1.01 0.00 0.00 0.00 0.00 178.15 177.87 3k8x n ALA 1484N -2.63 2.73 -2.19 1.87 0.00 -1.26 -5.10 120.51 113.94 3k8x n ALA 1484Ca -0.04 -3.58 -0.32 0.00 0.00 0.00 0.00 53.44 49.51 3k8x n ALA 1484Cb 0.17 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.21 4.75 0.43 0.00 -4.23 -1.26 -4.96 115.64 109.15 3k8x s THR 1485Ca 0.35 0.77 0.11 0.00 -1.18 0.00 0.00 61.69 61.75 3k8x s THR 1485Cb 0.15 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.64 3k8x s THR 1485CO -0.11 -0.28 2.01 1.55 -0.54 0.00 0.00 174.62 177.25 3k8x h PRO 1486N 1.95 0.45 -5.24 3.99 0.13 -2.00 -3.44 132.00 127.84 3k8x h PRO 1486Ca -0.48 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 3k8x h PRO 1486Cb 1.18 -0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 3k8x h PRO 1486CO 0.65 0.30 -0.62 0.71 -0.23 0.00 0.00 178.00 178.81 3k8x s TYR 1487N -5.43 1.91 0.55 1.56 1.51 -1.26 -5.12 117.35 111.07 3k8x s TYR 1487Ca -0.08 -0.93 -0.21 0.00 -1.01 0.00 0.00 57.07 54.84 3k8x s TYR 1487Cb 0.19 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 3k8x s TYR 1487CO 0.74 0.03 1.31 -2.14 -1.11 0.00 0.00 175.55 174.38 3k8x s PRO 1488N -3.87 3.15 -0.69 -1.71 0.02 -1.26 -4.91 135.00 125.73 3k8x s PRO 1488Ca 0.35 2.11 -0.27 0.00 0.02 0.00 0.00 61.00 63.21 3k8x s PRO 1488Cb 0.08 -2.21 0.03 0.00 0.02 0.00 0.00 34.50 32.42 3k8x s PRO 1488CO 0.14 -1.14 1.23 0.08 -0.33 0.00 0.00 177.00 176.98 3k8x s VAL 1489N -1.37 3.85 0.33 3.83 1.01 -1.26 -4.90 120.40 121.89 3k8x s VAL 1489Ca 0.72 0.50 0.03 0.00 0.00 0.00 0.00 61.98 63.23 3k8x s VAL 1489Cb -0.38 -4.85 0.17 0.00 0.00 0.00 0.00 36.38 31.33 3k8x s VAL 1489CO 0.44 -1.68 1.89 0.11 0.00 0.00 0.00 175.10 175.85 3k8x h LYS 1490N 9.86 0.61 0.00 2.72 1.79 -1.96 0.11 116.57 129.70 3k8x h LYS 1490Ca -0.27 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3k8x h LYS 1490Cb 1.05 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 3k8x h LYS 1490CO 1.25 0.58 0.00 0.39 -1.08 0.00 0.00 179.45 180.59 3k8x n GLU 1491N -4.30 0.12 -0.13 3.15 1.02 -1.26 -1.78 120.64 117.47 3k8x n GLU 1491Ca 0.02 0.42 -0.18 0.00 -0.02 0.00 0.00 57.16 57.41 3k8x n GLU 1491Cb 0.21 -1.77 -0.12 0.00 -0.02 0.00 0.00 31.44 29.75 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 -2.00 0.00 0.19 -0.32 -0.00 0.17 -3.62 117.44 111.85 3k8x n TRP 1492Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.64 3k8x n TRP 1492Cb 0.17 -0.98 0.68 0.00 -0.00 0.00 0.00 31.31 31.18 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 -0.03 0.00 -6.46 5.87 3.38 -0.80 -3.36 115.31 113.91 3k8x h LEU 1493Ca -0.57 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 56.97 3k8x h LEU 1493Cb 1.87 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 42.28 3k8x h LEU 1493CO -0.10 0.00 -0.73 -1.58 0.09 0.00 0.00 178.44 176.12 3k8x s GLN 1494N -5.01 0.54 0.66 1.13 2.00 -0.73 -5.02 119.66 113.23 3k8x s GLN 1494Ca -0.05 -0.86 0.42 0.00 -2.00 0.00 0.00 55.36 52.87 3k8x s GLN 1494Cb 0.18 -0.89 2.34 0.00 0.80 0.00 0.00 33.01 35.44 3k8x s GLN 1494CO 0.67 -1.17 2.36 -1.35 -0.50 0.00 0.00 175.29 175.31 3k8x h PRO 1495N 7.30 0.00 -0.73 1.67 0.11 -1.71 -1.46 132.00 137.18 3k8x h PRO 1495Ca 0.01 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.19 3k8x h PRO 1495Cb 1.03 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3k8x h PRO 1495CO 0.25 0.00 0.48 0.87 -0.21 0.00 0.00 178.00 179.39 3k8x h LYS 1496N 0.00 0.73 -0.51 1.05 1.57 -1.94 -1.22 116.57 116.26 3k8x h LYS 1496Ca -0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3k8x h LYS 1496Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3k8x h LYS 1496CO 0.00 0.48 0.30 -0.09 -0.57 0.00 0.00 179.45 179.57 3k8x h ARG 1497N 0.75 0.58 -0.18 3.15 2.43 -1.58 -0.39 114.38 119.14 3k8x h ARG 1497Ca 0.31 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3k8x h ARG 1497Cb 0.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3k8x h ARG 1497CO -0.11 0.38 0.10 -0.92 -1.51 0.00 0.00 179.97 177.92 3k8x h TYR 1498N 0.60 0.25 -0.44 2.20 -0.00 -1.49 -0.84 116.97 117.25 3k8x h TYR 1498Ca 0.20 -0.01 0.08 0.00 -0.00 0.00 0.00 58.73 59.01 3k8x h TYR 1498Cb 0.03 -0.08 -0.07 0.00 -0.00 0.00 0.00 36.73 36.61 3k8x h TYR 1498CO -0.07 0.24 0.02 -0.22 -0.00 0.00 0.00 178.16 178.13 3k8x h LYS 1499N 0.19 0.13 -0.72 1.82 1.63 -0.97 0.18 116.57 118.83 3k8x h LYS 1499Ca 0.06 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.92 3k8x h LYS 1499Cb 0.07 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.62 3k8x h LYS 1499CO -0.01 0.09 0.42 0.00 -3.45 0.00 0.00 179.45 176.49 3k8x h ALA 1500N 1.38 0.97 -0.62 5.00 0.00 -0.78 -2.31 119.26 122.90 3k8x h ALA 1500Ca 0.22 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3k8x h ALA 1500Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3k8x h ALA 1500CO -0.35 0.11 0.09 0.45 0.00 0.00 0.00 179.25 179.56 3k8x h HIS 1501N 0.77 1.07 0.00 0.00 3.86 0.07 -1.84 115.15 119.07 3k8x h HIS 1501Ca 0.32 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3k8x h HIS 1501Cb 0.18 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 3k8x h HIS 1501CO -0.06 0.91 -0.05 -0.07 0.86 0.00 0.00 177.93 179.52 3k8x h LEU 1502N 0.95 0.00 -0.83 2.43 3.38 -0.26 -0.49 115.31 120.50 3k8x h LEU 1502Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3k8x h LEU 1502Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3k8x h LEU 1502CO 0.01 0.05 0.00 0.23 0.09 0.00 0.00 178.44 178.82 3k8x n MET 1503N -4.19 1.54 -2.20 1.13 2.81 -0.74 -4.91 117.12 110.57 3k8x n MET 1503Ca -0.03 -0.81 -0.01 0.00 -1.81 0.00 0.00 57.70 55.03 3k8x n MET 1503Cb 0.13 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.99 0.48 3.28 3.03 0.00 -0.19 -4.93 105.19 107.84 3k8x n GLY 1504Ca 0.13 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.37 0.07 0.33 2.61 -1.32 -0.92 -4.83 115.64 109.22 3k8x s THR 1505Ca 0.01 -1.62 -0.27 0.00 -1.21 0.00 0.00 61.69 58.60 3k8x s THR 1505Cb -0.01 -1.99 -0.09 0.00 -1.51 0.00 0.00 72.50 68.90 3k8x s THR 1505CO 0.02 -0.31 1.07 -0.89 -2.21 0.00 0.00 174.62 172.30 3k8x s THR 1506N -4.01 3.59 0.20 5.08 2.01 -1.26 -3.40 115.64 117.84 3k8x s THR 1506Ca 0.22 1.42 -0.30 0.00 0.31 0.00 0.00 61.69 63.34 3k8x s THR 1506Cb 0.05 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 3k8x s THR 1506CO 0.02 0.21 1.34 -0.47 -0.69 0.00 0.00 174.62 175.03 3k8x s TYR 1507N -1.38 3.21 0.35 4.92 6.04 -1.26 -4.91 117.35 124.32 3k8x s TYR 1507Ca 0.50 1.16 0.09 0.00 0.04 0.00 0.00 57.07 58.87 3k8x s TYR 1507Cb -0.28 -3.65 0.83 0.00 -1.04 0.00 0.00 41.96 37.82 3k8x s TYR 1507CO 0.35 -2.07 1.85 -0.24 -1.54 0.00 0.00 175.55 173.90 3k8x h VAL 1508N 3.74 0.79 0.00 3.14 3.04 -1.94 0.26 116.25 125.28 3k8x h VAL 1508Ca -0.45 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 3k8x h VAL 1508Cb 1.21 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3k8x h VAL 1508CO 0.78 0.12 0.00 -1.22 -1.01 0.00 0.00 177.57 176.25 3k8x n TYR 1509N -4.59 0.00 1.09 3.17 4.02 -1.26 -2.41 117.16 117.18 3k8x n TYR 1509Ca 0.19 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.20 3k8x n TYR 1509Cb 0.52 -0.34 0.13 0.00 -0.02 0.00 0.00 39.34 39.63 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 -1.34 1.57 -0.26 7.72 10.43 0.90 -4.38 116.55 131.18 3k8x n ASP 1510Ca 0.10 -1.23 -0.06 0.00 2.57 0.00 0.00 54.79 56.18 3k8x n ASP 1510Cb 0.22 0.38 0.08 0.00 1.84 0.00 0.00 41.12 43.65 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 1.79 1.17 -0.74 1.24 -1.00 -1.37 -2.80 116.94 115.23 3k8x h PHE 1511Ca 0.00 -0.10 0.07 0.00 2.81 0.00 0.00 57.97 60.75 3k8x h PHE 1511Cb 0.65 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 39.81 3k8x h PHE 1511CO 0.00 0.90 0.49 -1.35 -1.61 0.00 0.00 178.31 176.74 3k8x h PRO 1512N 1.10 0.74 -0.51 1.51 0.11 -1.78 -0.22 132.00 132.95 3k8x h PRO 1512Ca 0.25 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 3k8x h PRO 1512Cb 0.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3k8x h PRO 1512CO -0.01 0.49 0.13 1.49 -0.21 0.00 0.00 178.00 179.88 3k8x h GLU 1513N 0.76 0.78 -0.57 1.05 4.57 -1.79 0.56 114.58 119.94 3k8x h GLU 1513Ca 0.32 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3k8x h GLU 1513Cb 0.28 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3k8x h GLU 1513CO -0.11 0.70 0.30 -0.07 -1.18 0.00 0.00 179.01 178.64 3k8x h LEU 1514N 0.75 0.70 -0.67 1.64 3.38 -0.82 -0.71 115.31 119.59 3k8x h LEU 1514Ca 0.17 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3k8x h LEU 1514Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k8x h LEU 1514CO -0.00 0.58 -0.23 -0.26 0.09 0.00 0.00 178.44 178.62 3k8x h PHE 1515N 0.79 0.90 -0.38 1.13 -1.00 -0.41 0.75 116.94 118.73 3k8x h PHE 1515Ca 0.20 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.78 3k8x h PHE 1515Cb 0.05 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.37 3k8x h PHE 1515CO 0.01 0.94 0.25 -0.09 -1.61 0.00 0.00 178.31 177.80 3k8x h ARG 1516N 0.68 0.49 0.01 1.51 2.43 -0.48 -0.33 114.38 118.69 3k8x h ARG 1516Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3k8x h ARG 1516Cb 0.75 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3k8x h ARG 1516CO 0.06 0.32 -0.00 1.96 -1.51 0.00 0.00 179.97 180.80 3k8x h GLN 1517N 0.50 -0.01 -0.79 0.20 4.20 -0.87 -1.45 115.11 116.89 3k8x h GLN 1517Ca 0.14 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.87 3k8x h GLN 1517Cb -0.05 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3k8x h GLN 1517CO -0.04 0.07 0.53 0.00 -0.67 0.00 0.00 178.83 178.72 3k8x h ALA 1518N 0.90 1.47 -0.15 3.87 0.00 -0.79 -0.74 119.26 123.82 3k8x h ALA 1518Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3k8x h ALA 1518Cb 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3k8x h ALA 1518CO 0.00 0.47 -0.73 0.77 0.00 0.00 0.00 179.25 179.76 3k8x h SER 1519N 1.03 0.83 -0.06 0.00 0.02 -0.83 -2.04 113.55 112.49 3k8x h SER 1519Ca 0.30 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3k8x h SER 1519Cb -0.05 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 3k8x h SER 1519CO -0.08 1.31 0.04 -1.28 -1.14 0.00 0.00 176.83 175.68 3k8x h SER 1520N 0.49 0.08 -0.69 3.07 0.87 -0.99 -2.35 113.55 114.02 3k8x h SER 1520Ca -0.04 -0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.62 3k8x h SER 1520Cb 1.34 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 3k8x h SER 1520CO 0.15 0.07 0.46 0.28 -0.53 0.00 0.00 176.83 177.25 3k8x h SER 1521N 0.07 0.43 -0.39 6.23 0.02 -1.11 -0.76 113.55 118.05 3k8x h SER 1521Ca 0.02 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3k8x h SER 1521Cb 0.01 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3k8x h SER 1521CO -0.00 0.25 0.13 -0.61 -1.14 0.00 0.00 176.83 175.45 3k8x h GLN 1522N 0.47 0.60 -0.45 3.45 4.15 -0.99 -1.87 115.11 120.46 3k8x h GLN 1522Ca 0.33 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 3k8x h GLN 1522Cb 0.63 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 3k8x h GLN 1522CO -0.10 0.60 0.16 -1.49 -1.93 0.00 0.00 178.83 176.06 3k8x h TRP 1523N 0.48 0.72 -0.20 3.99 4.06 -0.66 -2.27 115.95 122.06 3k8x h TRP 1523Ca 0.13 -0.07 -0.07 0.00 2.06 0.00 0.00 58.89 60.93 3k8x h TRP 1523Cb 0.25 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3k8x h TRP 1523CO 0.01 0.63 -0.20 0.87 -3.56 0.00 0.00 178.44 176.19 3k8x h LYS 1524N 0.59 0.35 0.00 0.49 1.79 -1.17 0.40 116.57 119.03 3k8x h LYS 1524Ca 0.15 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.42 3k8x h LYS 1524Cb 0.24 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3k8x h LYS 1524CO -0.01 0.55 -0.40 -0.91 -1.08 0.00 0.00 179.45 177.60 3k8x h ASN 1525N 0.32 0.00 0.20 0.86 -0.26 -1.26 -3.13 115.58 112.32 3k8x h ASN 1525Ca 0.06 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.49 3k8x h ASN 1525Cb 0.54 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.83 3k8x h ASN 1525CO 0.04 0.40 -1.30 0.15 -1.06 0.00 0.00 177.43 175.65 3k8x h PHE 1526N 0.00 0.97 -0.61 1.19 3.04 -0.91 -3.46 116.94 117.16 3k8x h PHE 1526Ca -0.00 -0.64 0.03 0.00 3.98 0.00 0.00 57.97 61.34 3k8x h PHE 1526Cb 1.14 -0.07 -0.18 0.00 2.56 0.00 0.00 35.95 39.40 3k8x h PHE 1526CO 0.00 1.48 -0.28 0.45 -2.02 0.00 0.00 178.31 177.94 3k8x s SER 1527N -7.45 -0.94 0.43 0.41 0.15 0.09 -5.04 113.70 101.34 3k8x s SER 1527Ca -0.09 -0.49 0.21 0.00 0.70 0.00 0.00 55.95 56.28 3k8x s SER 1527Cb 0.05 1.21 1.17 0.00 -1.71 0.00 0.00 66.02 66.74 3k8x s SER 1527CO 0.93 -0.10 1.80 0.00 1.20 0.00 0.00 173.24 177.07 3k8x h ALA 1528N 6.19 2.37 0.00 5.45 0.00 -1.74 -1.45 119.26 130.08 3k8x h ALA 1528Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k8x h ALA 1528Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3k8x h ALA 1528CO 0.01 -0.73 0.00 -0.25 0.00 0.00 0.00 179.25 178.28 3k8x n ASP 1529N -4.53 0.00 -4.73 0.00 8.00 -1.26 -4.84 116.55 109.20 3k8x n ASP 1529Ca 0.24 -0.38 -0.42 0.00 0.71 0.00 0.00 54.79 54.94 3k8x n ASP 1529Cb 0.89 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 3k8x n ASP 1529CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k8x s VAL 1530N -2.28 3.31 -0.30 2.53 0.11 -0.55 -5.01 120.40 118.22 3k8x s VAL 1530Ca 0.28 1.01 -0.10 0.00 -2.93 0.00 0.00 61.98 60.24 3k8x s VAL 1530Cb 0.15 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.34 3k8x s VAL 1530CO 0.30 0.11 0.15 -0.54 -3.33 0.00 0.00 175.10 171.79 3k8x s LYS 1531N 0.49 3.51 -0.09 1.54 1.02 -1.26 -5.00 119.74 119.95 3k8x s LYS 1531Ca 0.60 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.94 3k8x s LYS 1531Cb -0.36 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 3k8x s LYS 1531CO 0.34 -0.34 0.12 -0.51 -0.92 0.00 0.00 175.35 174.04 3k8x s LEU 1532N 1.65 4.23 0.43 3.17 1.43 -1.26 -5.12 118.68 123.21 3k8x s LEU 1532Ca 0.05 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 3k8x s LEU 1532Cb -0.17 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3k8x s LEU 1532CO 0.07 0.37 0.49 0.42 0.23 0.00 0.00 176.35 177.93 3k8x s THR 1533N -1.07 2.75 0.30 5.49 -4.23 -1.26 -5.03 115.64 112.59 3k8x s THR 1533Ca 0.17 -1.17 0.31 0.00 -1.18 0.00 0.00 61.69 59.82 3k8x s THR 1533Cb -0.12 -2.92 0.33 0.00 1.34 0.00 0.00 72.50 71.13 3k8x s THR 1533CO 0.07 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 176.62 3k8x h ASP 1534N 0.79 0.00 0.00 3.99 3.32 -1.99 -2.64 116.42 119.88 3k8x h ASP 1534Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3k8x h ASP 1534Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3k8x h ASP 1534CO 0.51 0.09 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 3k8x n ASP 1535N -3.34 0.00 0.25 6.45 3.85 -1.26 -2.27 116.55 120.23 3k8x n ASP 1535Ca -0.01 -1.09 0.14 0.00 -0.71 0.00 0.00 54.79 53.12 3k8x n ASP 1535Cb 0.28 0.00 0.43 0.00 -1.35 0.00 0.00 41.12 40.47 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 -3.25 2.11 -5.15 -1.83 -3.43 116.94 105.39 3k8x h PHE 1536Ca 0.00 0.00 -0.46 0.00 -0.20 0.00 0.00 57.97 57.31 3k8x h PHE 1536Cb 0.00 0.00 -0.39 0.00 0.22 0.00 0.00 35.95 35.78 3k8x h PHE 1536CO 0.00 0.01 -0.76 0.12 -2.00 0.00 0.00 178.31 175.68 3k8x s PHE 1537N -3.44 0.69 -0.09 6.09 2.19 -0.96 -0.67 117.98 121.79 3k8x s PHE 1537Ca 0.04 -0.33 0.03 0.00 0.33 0.00 0.00 56.93 57.00 3k8x s PHE 1537Cb 0.07 -0.83 0.01 0.00 -1.31 0.00 0.00 43.02 40.96 3k8x s PHE 1537CO 0.61 -0.41 -0.18 0.42 1.83 0.00 0.00 175.22 177.49 3k8x s ILE 1538N 1.97 1.64 -0.14 3.12 1.01 -0.30 -5.00 121.20 123.50 3k8x s ILE 1538Ca 0.03 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3k8x s ILE 1538Cb -0.14 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.88 3k8x s ILE 1538CO -0.06 0.47 -0.20 -0.55 0.00 0.00 0.00 174.94 174.59 3k8x s SER 1539N 0.64 3.25 -0.18 3.58 0.15 -1.26 -0.94 113.70 118.93 3k8x s SER 1539Ca -0.14 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 55.95 3k8x s SER 1539Cb -0.16 -1.47 0.03 0.00 -1.71 0.00 0.00 66.02 62.70 3k8x s SER 1539CO 0.04 0.08 -0.17 0.20 1.20 0.00 0.00 173.24 174.59 3k8x s ASN 1540N 0.80 3.13 0.33 5.45 0.01 -0.37 -4.98 114.94 119.32 3k8x s ASN 1540Ca -0.07 -0.68 -0.29 0.00 -0.71 0.00 0.00 52.86 51.11 3k8x s ASN 1540Cb -0.16 -1.38 -0.11 0.00 0.41 0.00 0.00 41.25 40.02 3k8x s ASN 1540CO -0.01 -0.04 1.50 -0.70 -1.51 0.00 0.00 177.10 176.34 3k8x s GLU 1541N 1.34 4.15 -0.18 -0.60 2.12 -1.22 -0.57 118.70 123.75 3k8x s GLU 1541Ca 0.03 2.51 -0.10 0.00 0.36 0.00 0.00 54.97 57.78 3k8x s GLU 1541Cb -0.14 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 3k8x s GLU 1541CO -0.11 -0.52 0.15 -0.51 -0.54 0.00 0.00 175.26 173.73 3k8x s LEU 1542N -1.31 4.25 0.11 2.70 1.43 0.63 -1.61 118.68 124.88 3k8x s LEU 1542Ca 0.57 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 3k8x s LEU 1542Cb -0.46 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3k8x s LEU 1542CO 0.55 0.22 -0.05 0.27 0.23 0.00 0.00 176.35 177.56 3k8x s ILE 1543N 0.07 0.67 -0.07 -0.59 -4.36 0.05 -4.13 121.20 112.85 3k8x s ILE 1543Ca 0.11 -1.94 -0.30 0.00 -0.26 0.00 0.00 60.65 58.26 3k8x s ILE 1543Cb -0.12 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 3k8x s ILE 1543CO 0.00 -0.81 1.15 -1.61 0.24 0.00 0.00 174.94 173.91 3k8x s GLU 1544N -3.85 4.37 0.28 0.37 2.02 -1.26 0.17 118.70 120.79 3k8x s GLU 1544Ca 0.14 1.60 -0.05 0.00 0.02 0.00 0.00 54.97 56.68 3k8x s GLU 1544Cb 0.05 -3.55 0.07 0.00 0.10 0.00 0.00 34.13 30.80 3k8x s GLU 1544CO -0.03 -0.41 0.29 -0.40 0.02 0.00 0.00 175.26 174.73 3k8x n ASP 1545N 5.12 -0.79 -0.32 -0.19 3.85 0.19 -4.80 116.55 119.61 3k8x n ASP 1545Ca 0.10 -0.83 0.06 0.00 -0.71 0.00 0.00 54.79 53.42 3k8x n ASP 1545Cb 0.47 -0.25 0.26 0.00 -1.35 0.00 0.00 41.12 40.26 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 0.93 -0.51 0.11 4.11 -1.97 0.10 114.58 117.35 3k8x h GLU 1546Ca -0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3k8x h GLU 1546Cb 0.30 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3k8x h GLU 1546CO 0.07 0.62 0.00 0.09 0.07 0.00 0.00 179.01 179.86 3k8x n ASN 1547N -4.54 1.79 0.00 3.06 3.02 -1.26 -4.92 115.26 112.41 3k8x n ASN 1547Ca 0.16 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 3k8x n ASN 1547Cb 0.30 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3k8x n ASN 1547CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8x n GLY 1548N 0.57 0.53 3.79 7.41 0.00 0.02 -5.01 105.19 112.51 3k8x n GLY 1548Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3k8x n GLY 1548CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8x s GLU 1549N -0.48 4.32 0.11 1.61 0.41 -1.26 -4.62 118.70 118.79 3k8x s GLU 1549Ca 0.00 1.31 -0.30 0.00 -0.41 0.00 0.00 54.97 55.57 3k8x s GLU 1549Cb 0.00 -2.50 -0.06 0.00 -1.78 0.00 0.00 34.13 29.78 3k8x s GLU 1549CO 0.00 0.04 1.16 -0.51 -0.49 0.00 0.00 175.26 175.46 3k8x s LEU 1550N -2.63 4.41 0.05 1.80 1.43 -1.26 0.52 118.68 123.00 3k8x s LEU 1550Ca 0.57 2.05 -0.00 0.00 -1.03 0.00 0.00 54.13 55.72 3k8x s LEU 1550Cb -0.16 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3k8x s LEU 1550CO 0.21 -0.38 -0.04 0.28 0.23 0.00 0.00 176.35 176.65 3k8x s THR 1551N 0.55 0.28 0.13 5.49 -1.32 0.13 -4.88 115.64 116.00 3k8x s THR 1551Ca 0.55 -1.55 -0.27 0.00 -1.21 0.00 0.00 61.69 59.21 3k8x s THR 1551Cb -0.30 -1.16 -0.07 0.00 -1.51 0.00 0.00 72.50 69.46 3k8x s THR 1551CO 0.32 -0.82 0.83 -1.61 -2.21 0.00 0.00 174.62 171.13 3k8x s GLU 1552N -3.14 4.61 0.05 7.08 2.02 -1.26 -0.77 118.70 127.30 3k8x s GLU 1552Ca 0.01 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.23 3k8x s GLU 1552Cb 0.02 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3k8x s GLU 1552CO -0.06 0.40 -0.04 0.14 0.02 0.00 0.00 175.26 175.72 3k8x s VAL 1553N -0.58 0.35 -0.26 2.63 -7.23 -0.64 -4.95 120.40 109.72 3k8x s VAL 1553Ca 0.39 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3k8x s VAL 1553Cb -0.23 -1.18 0.04 0.00 0.56 0.00 0.00 36.38 35.57 3k8x s VAL 1553CO 0.27 -0.79 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.50 3k8x s GLU 1554N -3.09 2.60 0.34 4.82 2.12 -1.26 -3.43 118.70 120.80 3k8x s GLU 1554Ca 0.01 -1.13 0.03 0.00 0.36 0.00 0.00 54.97 54.24 3k8x s GLU 1554Cb 0.01 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.40 3k8x s GLU 1554CO -0.06 -0.48 0.37 -0.98 -0.54 0.00 0.00 175.26 173.57 3k8x s ARG 1555N 1.25 1.84 0.09 4.30 1.70 -1.26 -5.14 118.95 121.73 3k8x s ARG 1555Ca -0.03 -1.90 -0.24 0.00 -0.47 0.00 0.00 55.73 53.09 3k8x s ARG 1555Cb -0.18 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 3k8x s ARG 1555CO -0.04 -0.72 0.72 -1.21 -1.08 0.00 0.00 175.30 172.96 3k8x s GLU 1556N -3.24 4.45 0.15 3.89 2.02 -1.26 -4.99 118.70 119.73 3k8x s GLU 1556Ca 0.36 1.01 -0.34 0.00 0.02 0.00 0.00 54.97 56.02 3k8x s GLU 1556Cb 0.01 -3.30 -0.16 0.00 0.10 0.00 0.00 34.13 30.79 3k8x s GLU 1556CO 0.24 0.47 1.25 -2.30 0.02 0.00 0.00 175.26 174.95 3k8x n PRO 1557N 2.11 1.27 -0.25 0.39 -0.02 -1.26 -2.43 135.00 134.82 3k8x n PRO 1557Ca -0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3k8x n PRO 1557Cb 0.50 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.24 0.77 0.17 -1.23 0.00 -1.26 -4.94 105.19 100.94 3k8x n GLY 1558Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.25 2.69 -1.64 4.61 0.00 -1.02 -4.90 120.51 119.00 3k8x n ALA 1559Ca 0.00 -0.29 -0.46 0.00 0.00 0.00 0.00 53.44 52.69 3k8x n ALA 1559Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.06 3k8x n ALA 1559CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3k8x n ASN 1560N -0.70 3.55 -0.01 0.00 6.94 -1.26 -4.82 115.26 118.96 3k8x n ASN 1560Ca 0.19 0.79 0.11 0.00 -0.02 0.00 0.00 54.58 55.65 3k8x n ASN 1560Cb 0.24 -1.44 0.67 0.00 -2.36 0.00 0.00 39.78 36.89 3k8x n ASN 1560CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k8x n ALA 1561N 7.98 2.63 -2.50 -2.53 0.00 -1.26 -4.82 120.51 120.00 3k8x n ALA 1561Ca 0.24 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 3k8x n ALA 1561Cb 0.35 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 3k8x n ALA 1561CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k8x s ILE 1562N -2.00 0.28 -0.72 0.00 1.01 -1.26 -5.06 121.20 113.44 3k8x s ILE 1562Ca 0.34 -1.42 0.04 0.00 0.00 0.00 0.00 60.65 59.61 3k8x s ILE 1562Cb 0.16 -0.99 0.24 0.00 0.01 0.00 0.00 42.46 41.88 3k8x s ILE 1562CO 0.26 -0.74 0.91 0.61 0.00 0.00 0.00 174.94 175.98 3k8x n GLY 1563N 0.77 2.01 2.87 6.18 0.00 -1.26 -4.77 105.19 110.99 3k8x n GLY 1563Ca -0.18 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.48 0.26 0.15 1.61 0.00 -1.26 -0.46 119.30 118.12 3k8x s MET 1564Ca 0.16 -0.01 0.03 0.00 0.00 0.00 0.00 55.69 55.87 3k8x s MET 1564Cb 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 34.83 34.57 3k8x s MET 1564CO 0.05 -0.03 -0.06 0.14 0.00 0.00 0.00 175.02 175.11 3k8x s VAL 1565N 0.46 0.93 0.03 10.11 -7.23 -0.11 -4.93 120.40 119.66 3k8x s VAL 1565Ca -0.04 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 3k8x s VAL 1565Cb -0.07 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.96 3k8x s VAL 1565CO -0.01 -0.68 0.18 0.00 -0.31 0.00 0.00 175.10 174.28 3k8x s ALA 1566N -3.48 -0.34 0.02 1.32 0.00 -1.26 -0.59 121.76 117.42 3k8x s ALA 1566Ca 0.18 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.91 3k8x s ALA 1566Cb 0.04 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 3k8x s ALA 1566CO 0.01 -0.33 -0.11 -0.06 0.00 0.00 0.00 175.76 175.26 3k8x s PHE 1567N -2.37 0.97 -0.26 0.00 0.40 0.39 -0.27 117.98 116.85 3k8x s PHE 1567Ca -0.07 -0.29 -0.18 0.00 -0.60 0.00 0.00 56.93 55.80 3k8x s PHE 1567Cb -0.02 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 3k8x s PHE 1567CO -0.03 -0.00 0.51 0.21 0.70 0.00 0.00 175.22 176.60 3k8x s LYS 1568N -0.79 4.08 -0.17 0.44 2.20 0.27 -0.46 119.74 125.30 3k8x s LYS 1568Ca 0.01 0.31 -0.07 0.00 -0.36 0.00 0.00 55.97 55.86 3k8x s LYS 1568Cb -0.06 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 3k8x s LYS 1568CO 0.00 -0.33 0.08 0.42 -0.36 0.00 0.00 175.35 175.17 3k8x s ILE 1569N 2.23 4.99 -0.24 5.43 -1.09 0.14 -1.23 121.20 131.43 3k8x s ILE 1569Ca 0.21 0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 3k8x s ILE 1569Cb -0.16 -3.23 0.05 0.00 -1.58 0.00 0.00 42.46 37.54 3k8x s ILE 1569CO 0.09 0.49 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.29 3k8x s THR 1570N 0.07 1.98 -0.03 2.92 2.01 -0.12 -1.92 115.64 120.55 3k8x s THR 1570Ca 0.07 -1.39 0.06 0.00 0.31 0.00 0.00 61.69 60.73 3k8x s THR 1570Cb -0.12 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 3k8x s THR 1570CO 0.00 0.06 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.10 3k8x s VAL 1571N 1.21 1.64 -0.12 3.82 1.01 -0.32 -1.15 120.40 126.49 3k8x s VAL 1571Ca -0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 3k8x s VAL 1571Cb -0.18 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3k8x s VAL 1571CO -0.07 0.46 0.85 -0.54 0.00 0.00 0.00 175.10 175.81 3k8x s LYS 1572N -0.27 4.38 0.28 2.72 1.02 0.16 -0.61 119.74 127.41 3k8x s LYS 1572Ca 0.03 1.09 0.06 0.00 0.02 0.00 0.00 55.97 57.17 3k8x s LYS 1572Cb -0.10 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.62 3k8x s LYS 1572CO 0.01 -0.22 -0.04 0.95 -0.92 0.00 0.00 175.35 175.13 3k8x s THR 1573N 1.73 1.53 0.30 2.17 -4.23 -0.70 -4.92 115.64 111.51 3k8x s THR 1573Ca 0.41 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 3k8x s THR 1573Cb -0.18 -2.47 0.29 0.00 1.34 0.00 0.00 72.50 71.49 3k8x s THR 1573CO 0.16 -0.28 1.84 -0.65 -0.54 0.00 0.00 174.62 175.15 3k8x h PRO 1574N 2.29 0.89 0.00 3.99 0.11 -1.94 -0.09 132.00 137.25 3k8x h PRO 1574Ca -0.40 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 3k8x h PRO 1574Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3k8x h PRO 1574CO 0.67 0.59 -0.43 1.05 -0.21 0.00 0.00 178.00 179.67 3k8x h GLU 1575N 0.92 0.00 -2.15 1.05 9.09 -1.91 -3.37 114.58 118.21 3k8x h GLU 1575Ca 0.50 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.33 3k8x h GLU 1575Cb 0.57 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 27.27 3k8x h GLU 1575CO -0.27 0.43 -0.87 0.66 0.05 0.00 0.00 179.01 179.01 3k8x n TYR 1576N -3.29 1.34 0.31 2.06 4.02 -0.51 -4.85 117.16 116.24 3k8x n TYR 1576Ca 0.01 -3.81 0.19 0.00 -0.01 0.00 0.00 57.90 54.28 3k8x n TYR 1576Cb 0.65 -0.40 1.00 0.00 -0.02 0.00 0.00 39.34 40.57 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 4.24 0.00 -0.01 -0.72 0.13 -1.24 0.20 132.00 134.60 3k8x h PRO 1577Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3k8x h PRO 1577Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3k8x h PRO 1577CO 0.61 0.02 -0.08 0.54 -0.23 0.00 0.00 178.00 178.86 3k8x n ARG 1578N -3.37 1.46 0.00 0.86 1.74 -1.26 -4.61 116.66 111.48 3k8x n ARG 1578Ca -0.02 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.17 3k8x n ARG 1578Cb 0.13 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.24 3.49 3.20 -0.13 0.00 0.61 -4.87 105.19 108.74 3k8x n GLY 1579Ca 0.17 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.74 1.01 0.07 1.61 1.70 0.22 -4.93 118.95 113.90 3k8x s ARG 1580Ca 0.00 -1.48 0.04 0.00 -0.47 0.00 0.00 55.73 53.82 3k8x s ARG 1580Cb 0.00 -0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.26 3k8x s ARG 1580CO 0.00 -0.16 -0.11 -0.65 -1.08 0.00 0.00 175.30 173.30 3k8x s GLN 1581N -3.95 0.75 0.29 3.89 -0.21 -1.26 -1.17 119.66 118.00 3k8x s GLN 1581Ca 0.22 -0.98 -0.19 0.00 0.02 0.00 0.00 55.36 54.44 3k8x s GLN 1581Cb 0.07 -0.58 0.02 0.00 1.00 0.00 0.00 33.01 33.52 3k8x s GLN 1581CO 0.02 0.11 0.70 -0.59 -2.12 0.00 0.00 175.29 173.41 3k8x s PHE 1582N -1.73 -0.06 -0.05 0.91 -0.12 -0.81 -4.21 117.98 111.92 3k8x s PHE 1582Ca -0.01 -0.41 0.05 0.00 -0.05 0.00 0.00 56.93 56.50 3k8x s PHE 1582Cb -0.07 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 3k8x s PHE 1582CO 0.01 -1.25 -0.19 0.54 -0.05 0.00 0.00 175.22 174.27 3k8x s VAL 1583N -3.71 2.61 -0.18 -2.49 0.11 -0.51 -0.69 120.40 115.55 3k8x s VAL 1583Ca 0.13 -0.89 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 3k8x s VAL 1583Cb -0.05 -1.99 -0.01 0.00 -1.53 0.00 0.00 36.38 32.80 3k8x s VAL 1583CO 0.08 0.58 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.66 3k8x s VAL 1584N -0.51 3.24 0.02 2.04 1.01 0.39 -0.74 120.40 125.85 3k8x s VAL 1584Ca 0.07 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3k8x s VAL 1584Cb -0.11 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3k8x s VAL 1584CO 0.01 0.47 -0.24 0.54 0.00 0.00 0.00 175.10 175.88 3k8x s VAL 1585N 0.97 2.29 -0.10 2.92 0.11 0.54 -0.46 120.40 126.67 3k8x s VAL 1585Ca -0.01 -1.23 -0.15 0.00 -2.93 0.00 0.00 61.98 57.66 3k8x s VAL 1585Cb -0.15 -1.88 0.03 0.00 -1.53 0.00 0.00 36.38 32.86 3k8x s VAL 1585CO -0.00 0.44 0.37 0.00 -3.33 0.00 0.00 175.10 172.58 3k8x s ALA 1586N -0.77 -0.93 0.45 1.54 0.00 0.24 -0.55 121.76 121.74 3k8x s ALA 1586Ca 0.12 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.69 3k8x s ALA 1586Cb -0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 3k8x s ALA 1586CO 0.02 -0.22 1.22 -0.80 0.00 0.00 0.00 175.76 175.98 3k8x s ASN 1587N -0.36 6.16 -0.57 0.00 0.01 -1.03 -0.93 114.94 118.22 3k8x s ASN 1587Ca -0.05 2.44 -0.19 0.00 -0.71 0.00 0.00 52.86 54.35 3k8x s ASN 1587Cb -0.03 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.11 3k8x s ASN 1587CO 0.02 -0.94 0.66 -0.62 -1.51 0.00 0.00 177.10 174.71 3k8x s ASP 1588N -1.14 6.19 0.44 -1.22 -1.08 0.39 -4.68 116.67 115.57 3k8x s ASP 1588Ca 0.62 -1.36 0.30 0.00 -0.52 0.00 0.00 52.55 51.58 3k8x s ASP 1588Cb -0.32 -2.29 1.58 0.00 -1.46 0.00 0.00 42.92 40.43 3k8x s ASP 1588CO 0.40 -1.03 1.91 -0.29 0.52 0.00 0.00 175.17 176.68 3k8x h ILE 1589N 5.90 0.00 0.00 4.11 6.09 -1.87 -0.42 117.51 131.33 3k8x h ILE 1589Ca -0.29 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3k8x h ILE 1589Cb 1.09 0.72 0.00 0.00 0.47 0.00 0.00 36.82 39.11 3k8x h ILE 1589CO 1.06 0.00 -0.33 0.35 -3.07 0.00 0.00 178.15 176.16 3k8x n THR 1590N -2.55 0.42 -3.15 2.19 -2.24 -1.26 -3.14 114.28 104.55 3k8x n THR 1590Ca -0.02 -0.25 -0.44 0.00 -2.27 0.00 0.00 64.05 61.07 3k8x n THR 1590Cb 0.07 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.93 3k8x n THR 1590CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k8x s PHE 1591N -3.12 3.03 -1.33 4.78 5.36 -0.17 -4.42 117.98 122.12 3k8x s PHE 1591Ca 0.09 -0.75 -0.17 0.00 -0.96 0.00 0.00 56.93 55.13 3k8x s PHE 1591Cb 0.13 -3.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.09 3k8x s PHE 1591CO 0.66 -1.14 0.46 1.63 -1.46 0.00 0.00 175.22 175.37 3k8x n LYS 1592N 6.20 -1.07 -2.56 10.12 5.02 -1.26 -0.79 118.16 133.81 3k8x n LYS 1592Ca -0.08 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 3k8x n LYS 1592Cb 0.44 -3.38 -0.00 0.00 -0.02 0.00 0.00 35.03 32.06 3k8x n LYS 1592CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3k8x n ILE 1593N -4.70 -0.61 -2.21 -0.18 -5.35 -1.23 -1.67 119.36 103.41 3k8x n ILE 1593Ca -0.20 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.10 3k8x n ILE 1593Cb 0.63 -1.67 -0.02 0.00 -1.74 0.00 0.00 39.64 36.84 3k8x n ILE 1593CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k8x n GLY 1594N -0.84 -0.03 3.79 3.28 0.00 0.03 -2.26 105.19 109.17 3k8x n GLY 1594Ca -0.12 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.30 5.46 -0.49 1.61 1.04 -0.67 -3.28 113.70 115.07 3k8x s SER 1595Ca 0.00 1.86 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 3k8x s SER 1595Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3k8x s SER 1595CO 0.00 -1.39 0.53 -0.36 0.98 0.00 0.00 173.24 173.00 3k8x s PHE 1596N -2.48 3.13 0.55 5.02 0.40 0.10 -4.79 117.98 119.91 3k8x s PHE 1596Ca 0.64 -0.68 0.09 0.00 -0.60 0.00 0.00 56.93 56.39 3k8x s PHE 1596Cb -0.17 -3.37 0.07 0.00 0.51 0.00 0.00 43.02 40.06 3k8x s PHE 1596CO 0.41 -0.93 0.76 0.20 0.70 0.00 0.00 175.22 176.35 3k8x s GLY 1597N 2.62 1.77 0.37 4.36 0.00 -1.26 -0.83 107.32 114.34 3k8x s GLY 1597Ca 0.11 -2.06 0.05 0.00 0.00 0.00 0.00 44.72 42.81 3k8x s GLY 1597CO 0.10 -1.65 2.00 -2.55 0.00 0.00 0.00 173.10 171.00 3k8x h PRO 1598N 0.25 0.74 -0.20 2.90 0.11 -1.91 0.02 132.00 133.91 3k8x h PRO 1598Ca -0.32 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 3k8x h PRO 1598Cb 1.29 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3k8x h PRO 1598CO 0.41 0.49 -0.53 1.96 -0.21 0.00 0.00 178.00 180.13 3k8x h GLN 1599N 0.77 0.59 -0.63 1.05 4.20 -1.97 -0.85 115.11 118.26 3k8x h GLN 1599Ca 0.26 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3k8x h GLN 1599Cb 0.07 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3k8x h GLN 1599CO -0.07 0.97 0.22 0.93 -0.67 0.00 0.00 178.83 180.21 3k8x h GLU 1600N 0.46 0.96 -0.05 1.46 3.07 -1.59 -1.67 114.58 117.21 3k8x h GLU 1600Ca 0.01 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3k8x h GLU 1600Cb 1.07 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3k8x h GLU 1600CO 0.10 0.84 0.02 -0.44 -1.40 0.00 0.00 179.01 178.13 3k8x h ASP 1601N 0.89 0.07 -0.89 1.42 3.45 -0.81 -0.40 116.42 120.14 3k8x h ASP 1601Ca 0.21 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 3k8x h ASP 1601Cb 0.26 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.97 3k8x h ASP 1601CO -0.01 0.19 0.48 -0.33 -1.57 0.00 0.00 179.24 178.00 3k8x h GLU 1602N -0.06 1.26 -0.23 3.56 4.39 -1.10 -0.29 114.58 122.10 3k8x h GLU 1602Ca 0.02 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 3k8x h GLU 1602Cb 0.14 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3k8x h GLU 1602CO -0.00 0.93 0.00 0.35 -1.16 0.00 0.00 179.01 179.13 3k8x h PHE 1603N 1.26 0.45 -0.73 4.33 3.57 -1.19 -0.80 116.94 123.83 3k8x h PHE 1603Ca 0.31 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.80 3k8x h PHE 1603Cb 0.04 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 3k8x h PHE 1603CO 0.01 0.59 0.43 0.35 -2.23 0.00 0.00 178.31 177.45 3k8x h PHE 1604N 0.19 0.78 -0.55 0.41 3.57 -0.79 -0.62 116.94 119.93 3k8x h PHE 1604Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3k8x h PHE 1604Cb 0.40 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3k8x h PHE 1604CO 0.03 0.38 0.30 -0.97 -2.23 0.00 0.00 178.31 175.83 3k8x h ASN 1605N 0.78 0.70 -0.80 0.41 -0.73 -0.85 -1.46 115.58 113.63 3k8x h ASN 1605Ca 0.32 -0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 3k8x h ASN 1605Cb 0.18 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 3k8x h ASN 1605CO -0.18 0.59 0.40 0.11 -0.37 0.00 0.00 177.43 177.98 3k8x h LYS 1606N 0.74 1.14 -0.40 6.67 1.57 -0.33 -1.53 116.57 124.43 3k8x h LYS 1606Ca 0.19 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3k8x h LYS 1606Cb 0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3k8x h LYS 1606CO -0.03 0.87 0.16 0.28 -0.57 0.00 0.00 179.45 180.16 3k8x h VAL 1607N 1.12 1.19 -0.38 0.50 2.07 -0.82 0.28 116.25 120.21 3k8x h VAL 1607Ca 0.28 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3k8x h VAL 1607Cb 0.09 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3k8x h VAL 1607CO -0.04 0.22 0.20 0.74 0.02 0.00 0.00 177.57 178.71 3k8x h THR 1608N 0.51 1.00 -0.41 2.57 2.02 -1.07 -0.97 112.91 116.55 3k8x h THR 1608Ca 0.13 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 3k8x h THR 1608Cb 0.18 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3k8x h THR 1608CO -0.01 0.07 -0.16 -0.33 0.37 0.00 0.00 175.52 175.46 3k8x h GLU 1609N 0.41 0.77 -0.41 6.66 5.08 -1.02 -0.56 114.58 125.51 3k8x h GLU 1609Ca 0.16 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3k8x h GLU 1609Cb 0.05 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3k8x h GLU 1609CO -0.10 0.89 0.16 -0.92 -1.00 0.00 0.00 179.01 178.04 3k8x h TYR 1610N 0.69 0.30 -0.38 4.33 3.20 -0.07 0.08 116.97 125.12 3k8x h TYR 1610Ca 0.11 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 3k8x h TYR 1610Cb 0.66 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3k8x h TYR 1610CO 0.03 0.13 -0.15 0.00 -1.64 0.00 0.00 178.16 176.53 3k8x h ALA 1611N 1.25 0.53 -0.59 1.82 0.00 -0.80 -2.86 119.26 118.61 3k8x h ALA 1611Ca 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k8x h ALA 1611Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3k8x h ALA 1611CO -0.17 0.44 0.36 0.00 0.00 0.00 0.00 179.25 179.87 3k8x h ARG 1612N 0.57 0.80 -0.60 0.00 3.08 -0.85 0.16 114.38 117.53 3k8x h ARG 1612Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3k8x h ARG 1612Cb 0.69 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3k8x h ARG 1612CO 0.05 0.57 0.33 -0.22 -1.07 0.00 0.00 179.97 179.63 3k8x h LYS 1613N 0.79 0.82 0.00 0.04 1.63 -0.93 -2.36 116.57 116.56 3k8x h LYS 1613Ca 0.21 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3k8x h LYS 1613Cb -0.02 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 3k8x h LYS 1613CO -0.04 0.60 -0.38 0.54 -3.45 0.00 0.00 179.45 176.72 3k8x n ARG 1614N -4.39 0.12 -1.04 1.90 1.74 -0.91 -4.95 116.66 109.13 3k8x n ARG 1614Ca 0.06 0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 3k8x n ARG 1614Cb 0.10 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.43 0.51 3.91 -0.13 0.00 0.41 -4.78 105.19 106.53 3k8x n GLY 1615Ca 0.05 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3k8x n GLY 1615CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k8x s ILE 1616N -2.00 5.38 0.63 -0.61 1.10 -0.37 -0.57 121.20 124.76 3k8x s ILE 1616Ca 0.00 -0.24 -0.18 0.00 -0.51 0.00 0.00 60.65 59.72 3k8x s ILE 1616Cb 0.00 -3.60 -0.02 0.00 0.15 0.00 0.00 42.46 39.00 3k8x s ILE 1616CO 0.00 0.21 1.26 -2.84 -2.11 0.00 0.00 174.94 171.46 3k8x s PRO 1617N -2.28 2.70 -0.21 3.50 0.02 -1.26 -4.53 135.00 132.93 3k8x s PRO 1617Ca 0.32 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.33 3k8x s PRO 1617Cb -0.13 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.55 3k8x s PRO 1617CO 0.24 -1.46 -0.15 0.50 -0.33 0.00 0.00 177.00 175.80 3k8x s ARG 1618N -3.37 2.55 -0.23 5.54 3.52 -0.51 -1.42 118.95 125.03 3k8x s ARG 1618Ca 0.81 -1.01 -0.08 0.00 -0.13 0.00 0.00 55.73 55.32 3k8x s ARG 1618Cb -0.35 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 3k8x s ARG 1618CO 0.37 -0.37 0.08 0.42 -0.81 0.00 0.00 175.30 174.99 3k8x s ILE 1619N 1.24 4.58 -0.19 4.11 1.09 0.08 -2.56 121.20 129.57 3k8x s ILE 1619Ca -0.01 -0.09 -0.05 0.00 -1.10 0.00 0.00 60.65 59.40 3k8x s ILE 1619Cb -0.16 -3.13 -0.03 0.00 -1.06 0.00 0.00 42.46 38.09 3k8x s ILE 1619CO -0.09 0.36 -0.00 -0.47 -0.10 0.00 0.00 174.94 174.63 3k8x s TYR 1620N 1.27 3.05 -0.45 3.97 6.04 0.27 -0.34 117.35 131.17 3k8x s TYR 1620Ca 0.05 -0.38 -0.13 0.00 0.04 0.00 0.00 57.07 56.66 3k8x s TYR 1620Cb -0.15 -2.05 0.08 0.00 -1.04 0.00 0.00 41.96 38.80 3k8x s TYR 1620CO 0.04 -0.16 0.34 -0.51 -1.54 0.00 0.00 175.55 173.72 3k8x s LEU 1621N 0.80 5.45 -0.38 6.97 1.43 0.29 -0.62 118.68 132.62 3k8x s LEU 1621Ca 0.00 -1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 51.49 3k8x s LEU 1621Cb -0.14 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.98 3k8x s LEU 1621CO 0.02 -0.61 0.56 0.00 0.23 0.00 0.00 176.35 176.55 3k8x s ALA 1622N 1.55 3.44 -0.34 4.21 0.00 0.46 -2.47 121.76 128.61 3k8x s ALA 1622Ca 0.04 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3k8x s ALA 1622Cb -0.24 -3.11 0.14 0.00 0.00 0.00 0.00 23.12 19.91 3k8x s ALA 1622CO 0.04 -1.40 0.30 0.00 0.00 0.00 0.00 175.76 174.71 3k8x s ALA 1623N 2.52 -0.09 0.26 0.00 0.00 -1.25 -0.81 121.76 122.40 3k8x s ALA 1623Ca 0.20 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 3k8x s ALA 1623Cb -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.12 3k8x s ALA 1623CO 0.15 -1.99 0.55 0.54 0.00 0.00 0.00 175.76 175.00 3k8x s ASN 1624N 1.64 -0.14 -0.20 0.00 4.22 -0.22 -3.92 114.94 116.33 3k8x s ASN 1624Ca 0.15 -0.84 0.14 0.00 -2.14 0.00 0.00 52.86 50.16 3k8x s ASN 1624Cb -0.17 0.63 0.40 0.00 1.28 0.00 0.00 41.25 43.39 3k8x s ASN 1624CO -0.13 -1.20 1.25 -1.20 -2.04 0.00 0.00 177.10 173.79 3k8x n SER 1625N -0.40 2.21 -0.10 3.54 7.64 -0.96 -3.90 113.62 121.65 3k8x n SER 1625Ca -0.02 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.30 3k8x n SER 1625Cb 0.61 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.17 -1.54 3.77 0.23 0.00 -1.17 -4.85 105.19 100.46 3k8x n GLY 1626Ca 0.21 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.18 3.65 0.34 4.61 0.00 -1.26 0.03 121.76 127.95 3k8x s ALA 1627Ca 0.00 1.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 3k8x s ALA 1627Cb 0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 3k8x s ALA 1627CO 0.00 -1.02 1.54 0.50 0.00 0.00 0.00 175.76 176.77 3k8x s ARG 1628N -1.39 4.11 0.21 0.00 3.52 -0.01 -4.67 118.95 120.71 3k8x s ARG 1628Ca 0.57 2.59 0.08 0.00 -0.13 0.00 0.00 55.73 58.84 3k8x s ARG 1628Cb -0.47 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 3k8x s ARG 1628CO 0.56 -0.58 -0.15 0.96 -0.81 0.00 0.00 175.30 175.28 3k8x s ILE 1629N -0.66 1.80 -0.05 4.11 -4.36 -1.26 -4.62 121.20 116.16 3k8x s ILE 1629Ca 0.57 -2.21 -0.31 0.00 -0.26 0.00 0.00 60.65 58.44 3k8x s ILE 1629Cb -0.47 -2.05 0.13 0.00 1.25 0.00 0.00 42.46 41.31 3k8x s ILE 1629CO 0.57 -0.56 1.35 -0.83 0.24 0.00 0.00 174.94 175.71 3k8x s GLY 1630N -3.29 -0.39 0.32 6.27 0.00 -1.04 -4.88 107.32 104.32 3k8x s GLY 1630Ca 0.23 0.66 0.03 0.00 0.00 0.00 0.00 44.72 45.64 3k8x s GLY 1630CO 0.07 1.45 0.07 1.06 0.00 0.00 0.00 173.10 175.75 3k8x s MET 1631N -2.18 1.64 -0.78 2.90 -1.94 -1.26 -4.71 119.30 112.97 3k8x s MET 1631Ca 0.18 -1.91 -0.26 0.00 -1.71 0.00 0.00 55.69 51.99 3k8x s MET 1631Cb 0.05 -0.78 0.04 0.00 2.01 0.00 0.00 34.83 36.14 3k8x s MET 1631CO -0.04 -0.22 1.28 0.00 -0.01 0.00 0.00 175.02 176.03 3k8x s ALA 1632N -3.35 2.77 0.26 3.03 0.00 -1.26 -4.85 121.76 118.37 3k8x s ALA 1632Ca 0.36 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 3k8x s ALA 1632Cb 0.08 -4.27 0.35 0.00 0.00 0.00 0.00 23.12 19.28 3k8x s ALA 1632CO 0.15 -3.30 1.74 0.93 0.00 0.00 0.00 175.76 175.28 3k8x h GLU 1633N 9.96 0.68 0.00 0.00 4.39 -2.01 -2.18 114.58 125.42 3k8x h GLU 1633Ca -0.21 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3k8x h GLU 1633Cb 1.05 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3k8x h GLU 1633CO 1.29 0.77 0.14 -0.85 -1.16 0.00 0.00 179.01 179.20 3k8x n GLU 1634N -4.18 0.10 -0.01 2.33 0.00 -1.26 -1.73 120.64 115.89 3k8x n GLU 1634Ca 0.01 0.57 0.10 0.00 0.00 0.00 0.00 57.16 57.84 3k8x n GLU 1634Cb 0.35 -1.95 -0.16 0.00 0.00 0.00 0.00 31.44 29.67 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 -2.02 0.08 -0.34 3.84 2.08 -0.82 -4.47 119.36 117.71 3k8x n ILE 1635Ca -0.01 -0.52 0.01 0.00 0.56 0.00 0.00 62.75 62.79 3k8x n ILE 1635Cb 0.16 -0.03 0.15 0.00 -0.75 0.00 0.00 39.64 39.16 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 1.09 -0.01 1.39 2.07 -1.36 -2.87 116.25 116.56 3k8x h VAL 1636Ca -0.02 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 3k8x h VAL 1636Cb 1.05 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3k8x h VAL 1636CO 0.00 0.20 -0.68 -0.65 0.02 0.00 0.00 177.57 176.46 3k8x h PRO 1637N 1.08 0.06 -0.23 1.57 0.11 -1.78 -3.37 132.00 129.44 3k8x h PRO 1637Ca 0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3k8x h PRO 1637Cb 0.12 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3k8x h PRO 1637CO -0.16 0.72 0.00 1.47 -0.21 0.00 0.00 178.00 179.82 3k8x n LEU 1638N -3.75 3.13 -4.85 2.35 -0.00 -1.09 -4.99 117.00 107.80 3k8x n LEU 1638Ca -0.01 -2.54 -0.36 0.00 -0.00 0.00 0.00 56.01 53.10 3k8x n LEU 1638Cb 0.67 -0.35 -0.06 0.00 -0.00 0.00 0.00 43.42 43.68 3k8x n LEU 1638CO 0.44 0.68 0.12 0.72 -0.00 0.00 0.00 177.39 179.35 3k8x s PHE 1639N -1.96 3.64 0.08 1.47 -0.12 -1.15 -4.63 117.98 115.31 3k8x s PHE 1639Ca 0.29 0.93 0.05 0.00 -0.05 0.00 0.00 56.93 58.15 3k8x s PHE 1639Cb 0.21 -2.25 -0.04 0.00 -0.63 0.00 0.00 43.02 40.31 3k8x s PHE 1639CO 0.10 0.55 -0.01 -0.65 -0.05 0.00 0.00 175.22 175.15 3k8x s GLN 1640N -1.62 2.52 -0.22 1.99 -1.52 0.11 -4.94 119.66 115.97 3k8x s GLN 1640Ca 0.31 -0.84 -0.11 0.00 -1.95 0.00 0.00 55.36 52.76 3k8x s GLN 1640Cb -0.15 -2.52 -0.05 0.00 -0.22 0.00 0.00 33.01 30.07 3k8x s GLN 1640CO 0.17 0.54 0.20 0.08 -0.25 0.00 0.00 175.29 176.03 3k8x s VAL 1641N -1.28 5.34 -1.11 1.09 1.01 -1.26 -0.92 120.40 123.26 3k8x s VAL 1641Ca 0.25 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 3k8x s VAL 1641Cb -0.12 -3.54 0.14 0.00 0.00 0.00 0.00 36.38 32.86 3k8x s VAL 1641CO 0.17 0.35 1.37 0.00 0.00 0.00 0.00 175.10 176.98 3k8x s ALA 1642N 0.98 3.62 0.66 5.51 0.00 -0.84 -4.99 121.76 126.69 3k8x s ALA 1642Ca 0.10 -3.04 -0.18 0.00 0.00 0.00 0.00 51.96 48.85 3k8x s ALA 1642Cb -0.13 -4.19 -0.00 0.00 0.00 0.00 0.00 23.12 18.79 3k8x s ALA 1642CO 0.04 -2.96 1.26 -1.58 0.00 0.00 0.00 175.76 172.52 3k8x s TRP 1643N 2.49 2.12 0.04 0.00 0.52 -1.26 -0.97 118.94 121.88 3k8x s TRP 1643Ca 0.41 1.51 -0.24 0.00 0.02 0.00 0.00 56.10 57.80 3k8x s TRP 1643Cb -0.03 -3.62 -0.17 0.00 -1.15 0.00 0.00 33.47 28.50 3k8x s TRP 1643CO -0.03 -2.75 1.52 -0.91 0.02 0.00 0.00 176.95 174.79 3k8x h ASN 1644N 0.43 -0.03 -2.94 2.95 -0.26 -1.85 -3.43 115.58 110.45 3k8x h ASN 1644Ca -0.50 -0.21 -0.34 0.00 -0.56 0.00 0.00 56.30 54.69 3k8x h ASN 1644Cb 1.32 0.01 -0.37 0.00 -1.06 0.00 0.00 38.32 38.22 3k8x h ASN 1644CO 0.53 0.20 -0.66 -0.62 -1.06 0.00 0.00 177.43 175.81 3k8x s ASP 1645N -5.38 1.27 0.41 5.81 3.68 -1.26 -5.06 116.67 116.13 3k8x s ASP 1645Ca -0.14 -0.03 0.15 0.00 2.13 0.00 0.00 52.55 54.66 3k8x s ASP 1645Cb 0.04 0.17 1.01 0.00 -1.45 0.00 0.00 42.92 42.69 3k8x s ASP 1645CO 0.66 -0.29 1.90 0.00 0.13 0.00 0.00 175.17 177.57 3k8x h ALA 1646N 8.37 2.07 -2.72 3.66 0.00 -1.97 -3.33 119.26 125.34 3k8x h ALA 1646Ca -0.14 0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.24 3k8x h ALA 1646Cb 1.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3k8x h ALA 1646CO 0.21 -0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.31 3k8x s ALA 1647N -5.47 3.46 -0.66 0.00 0.00 -1.26 -3.96 121.76 113.87 3k8x s ALA 1647Ca -0.08 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 3k8x s ALA 1647Cb 0.21 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.43 3k8x s ALA 1647CO 0.77 0.29 0.45 0.27 0.00 0.00 0.00 175.76 177.54 3k8x n ASN 1648N 1.73 -3.38 -4.41 0.00 2.04 -1.26 -4.85 115.26 105.13 3k8x n ASN 1648Ca -0.06 -0.77 -0.45 0.00 -0.44 0.00 0.00 54.58 52.86 3k8x n ASN 1648Cb 0.49 -1.16 -0.01 0.00 -2.53 0.00 0.00 39.78 36.57 3k8x n ASN 1648CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 3k8x s PRO 1649N -4.69 3.86 0.00 -0.53 0.04 -1.25 -4.43 135.00 128.00 3k8x s PRO 1649Ca 0.07 -2.42 0.01 0.00 0.04 0.00 0.00 61.00 58.71 3k8x s PRO 1649Cb -0.04 -4.80 0.02 0.00 0.04 0.00 0.00 34.50 29.72 3k8x s PRO 1649CO 0.67 -1.58 0.74 -0.40 0.04 0.00 0.00 177.00 176.46 3k8x n ASP 1650N 5.07 -0.24 -0.88 6.66 5.68 -1.26 -4.76 116.55 126.82 3k8x n ASP 1650Ca 0.26 -1.46 0.11 0.00 -0.50 0.00 0.00 54.79 53.20 3k8x n ASP 1650Cb 0.45 0.05 0.28 0.00 -1.14 0.00 0.00 41.12 40.76 3k8x n ASP 1650CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k8x n LYS 1651N 0.03 2.14 0.00 0.11 3.00 -1.26 -5.05 118.16 117.13 3k8x n LYS 1651Ca -0.08 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.50 3k8x n LYS 1651Cb 0.62 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 1.32 0.78 3.21 3.14 0.00 -1.26 -4.98 105.19 107.40 3k8x n GLY 1652Ca 0.18 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.32 0.09 -0.20 1.61 -0.71 -1.26 -2.88 117.98 113.30 3k8x s PHE 1653Ca 0.00 -0.44 0.08 0.00 -1.04 0.00 0.00 56.93 55.53 3k8x s PHE 1653Cb 0.00 -0.02 -0.18 0.00 -1.21 0.00 0.00 43.02 41.61 3k8x s PHE 1653CO 0.00 -0.52 -0.08 0.94 -1.34 0.00 0.00 175.22 174.22 3k8x n GLN 1654N 0.16 0.81 -2.34 1.99 -0.06 -0.14 -4.84 117.38 112.96 3k8x n GLN 1654Ca -0.16 0.07 -0.03 0.00 -2.00 0.00 0.00 57.00 54.88 3k8x n GLN 1654Cb 0.61 -1.46 0.01 0.00 -4.06 0.00 0.00 30.24 25.35 3k8x n GLN 1654CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 3k8x n TYR 1655N -2.93 -1.28 -4.30 3.69 0.18 -1.25 -5.05 117.16 106.22 3k8x n TYR 1655Ca -0.35 -0.69 -0.24 0.00 1.88 0.00 0.00 57.90 58.50 3k8x n TYR 1655Cb 1.00 0.34 -0.12 0.00 -0.38 0.00 0.00 39.34 40.18 3k8x n TYR 1655CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3k8x s LEU 1656N 0.00 2.33 0.25 -3.48 1.43 -1.26 -1.98 118.68 115.97 3k8x s LEU 1656Ca 0.08 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 3k8x s LEU 1656Cb -0.02 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.33 3k8x s LEU 1656CO 0.04 0.04 0.55 -0.72 0.23 0.00 0.00 176.35 176.49 3k8x s TYR 1657N -1.38 0.14 -0.03 0.29 1.13 -0.10 -0.54 117.35 116.87 3k8x s TYR 1657Ca 0.09 -0.53 0.02 0.00 -1.41 0.00 0.00 57.07 55.23 3k8x s TYR 1657Cb -0.09 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 41.10 3k8x s TYR 1657CO 0.05 -1.06 -0.05 -0.51 -2.51 0.00 0.00 175.55 171.47 3k8x s LEU 1658N -2.97 3.25 0.61 -3.49 1.43 0.12 0.04 118.68 117.67 3k8x s LEU 1658Ca 0.17 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 3k8x s LEU 1658Cb -0.02 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3k8x s LEU 1658CO 0.07 0.32 1.04 0.42 0.23 0.00 0.00 176.35 178.43 3k8x s THR 1659N -0.93 4.04 -0.07 5.49 -4.23 -1.26 -0.78 115.64 117.89 3k8x s THR 1659Ca 0.15 0.87 0.26 0.00 -1.18 0.00 0.00 61.69 61.80 3k8x s THR 1659Cb -0.11 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.52 3k8x s THR 1659CO 0.05 -0.66 1.79 0.77 -0.54 0.00 0.00 174.62 176.04 3k8x h SER 1660N 0.20 0.00 0.02 3.99 4.64 -1.99 0.27 113.55 120.68 3k8x h SER 1660Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3k8x h SER 1660Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k8x h SER 1660CO 0.58 0.00 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.45 3k8x h GLU 1661N 0.00 -0.02 -0.62 4.77 4.81 -1.95 -2.34 114.58 119.23 3k8x h GLU 1661Ca 0.00 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 3k8x h GLU 1661Cb 0.04 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.33 3k8x h GLU 1661CO 0.00 0.76 0.03 0.78 -0.73 0.00 0.00 179.01 179.85 3k8x h GLY 1662N -0.90 0.70 0.22 1.92 0.00 -1.64 -0.57 103.07 102.80 3k8x h GLY 1662Ca -0.00 0.06 0.17 0.00 0.00 0.00 0.00 47.33 47.55 3k8x h GLY 1662CO 0.00 -0.19 0.58 1.98 0.00 0.00 0.00 176.54 178.91 3k8x h MET 1663N 0.15 0.76 0.00 4.80 1.85 -1.01 -2.41 114.93 119.07 3k8x h MET 1663Ca 0.33 -0.05 -0.19 0.00 -0.61 0.00 0.00 59.70 59.18 3k8x h MET 1663Cb 0.53 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.36 3k8x h MET 1663CO -0.51 0.51 -0.96 0.93 -0.40 0.00 0.00 176.91 176.48 3k8x h GLU 1664N 0.79 0.00 -0.87 0.39 4.39 -0.70 -2.96 114.58 115.61 3k8x h GLU 1664Ca 0.54 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.32 3k8x h GLU 1664Cb 0.76 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.34 3k8x h GLU 1664CO -0.35 0.84 0.53 1.15 -1.16 0.00 0.00 179.01 180.01 3k8x h THR 1665N 0.00 0.97 -0.30 1.13 2.02 -0.65 0.08 112.91 116.16 3k8x h THR 1665Ca -0.03 -0.31 -0.15 0.00 0.77 0.00 0.00 66.41 66.68 3k8x h THR 1665Cb 1.70 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3k8x h THR 1665CO 0.11 0.17 -0.43 -0.07 0.37 0.00 0.00 175.52 175.66 3k8x h LEU 1666N 0.91 0.82 -1.44 2.58 3.38 -1.45 -2.58 115.31 117.52 3k8x h LEU 1666Ca 0.41 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3k8x h LEU 1666Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3k8x h LEU 1666CO -0.22 1.14 -0.26 0.50 0.09 0.00 0.00 178.44 179.69 3k8x h LYS 1667N 0.62 0.03 0.14 1.13 3.64 -1.29 0.21 116.57 121.04 3k8x h LYS 1667Ca 0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3k8x h LYS 1667Cb 0.99 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3k8x h LYS 1667CO 0.09 0.29 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.28 3k8x h LYS 1668N 0.02 -0.18 -0.21 1.90 3.64 -0.69 -3.00 116.57 118.06 3k8x h LYS 1668Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3k8x h LYS 1668Cb 0.48 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3k8x h LYS 1668CO 0.03 0.06 0.00 1.19 -2.27 0.00 0.00 179.45 178.47 3k8x n PHE 1669N -5.07 0.28 -2.95 1.91 3.01 -1.00 -4.93 117.46 108.71 3k8x n PHE 1669Ca -0.09 -0.14 -0.12 0.00 1.01 0.00 0.00 57.45 58.12 3k8x n PHE 1669Cb 0.18 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.71 3k8x n PHE 1669CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3k8x n ASP 1670N 0.16 -2.84 -2.46 4.37 2.03 -0.72 -4.96 116.55 112.14 3k8x n ASP 1670Ca 0.10 -0.46 -0.01 0.00 0.52 0.00 0.00 54.79 54.95 3k8x n ASP 1670Cb 0.22 -3.82 0.05 0.00 -0.72 0.00 0.00 41.12 36.85 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 -3.11 1.51 -0.04 -0.67 5.02 0.66 -4.92 118.16 116.60 3k8x n LYS 1671Ca -0.17 -3.24 -0.08 0.00 -2.02 0.00 0.00 58.31 52.80 3k8x n LYS 1671Cb 0.61 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.27 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 2.21 -0.00 -0.93 1.97 5.08 -1.91 -2.43 114.58 118.58 3k8x h GLU 1672Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 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 0.20 -0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.48 3k8x n ASN 1673N -5.20 1.08 0.06 1.42 0.23 -1.26 -3.53 115.26 108.06 3k8x n ASN 1673Ca -0.02 -1.84 0.12 0.00 -0.53 0.00 0.00 54.58 52.31 3k8x n ASN 1673Cb 0.13 -0.46 0.46 0.00 -2.08 0.00 0.00 39.78 37.83 3k8x n ASN 1673CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3k8x n SER 1674N 0.09 0.41 -3.91 0.53 7.64 -0.91 -4.58 113.62 112.89 3k8x n SER 1674Ca 0.00 0.56 -0.09 0.00 1.01 0.00 0.00 58.87 60.35 3k8x n SER 1674Cb 0.25 -0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 62.70 3k8x n SER 1674CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3k8x s VAL 1675N -3.11 0.14 -0.18 0.44 -7.23 -1.23 -0.71 120.40 108.52 3k8x s VAL 1675Ca 0.09 -1.12 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 3k8x s VAL 1675Cb 0.13 -1.02 -0.00 0.00 0.56 0.00 0.00 36.38 36.04 3k8x s VAL 1675CO 0.46 -0.62 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.77 3k8x s LEU 1676N -2.30 2.65 0.18 1.32 1.43 -0.43 -4.92 118.68 116.61 3k8x s LEU 1676Ca -0.02 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 3k8x s LEU 1676Cb 0.01 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3k8x s LEU 1676CO -0.06 0.05 -0.20 0.42 0.23 0.00 0.00 176.35 176.79 3k8x s THR 1677N 1.05 1.96 -0.15 5.49 -4.23 -1.26 -0.17 115.64 118.34 3k8x s THR 1677Ca -0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 3k8x s THR 1677Cb -0.15 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.78 3k8x s THR 1677CO -0.02 -0.27 -0.19 -0.70 -0.54 0.00 0.00 174.62 172.89 3k8x s GLU 1678N -2.80 2.80 -0.01 3.99 2.12 -0.72 -4.92 118.70 119.16 3k8x s GLU 1678Ca 0.17 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 3k8x s GLU 1678Cb -0.06 -2.34 -0.06 0.00 0.26 0.00 0.00 34.13 31.93 3k8x s GLU 1678CO 0.08 -0.10 1.56 0.50 -0.54 0.00 0.00 175.26 176.76 3k8x s ARG 1679N 1.04 4.22 0.07 4.30 6.06 -1.26 -1.67 118.95 131.70 3k8x s ARG 1679Ca -0.03 2.14 0.03 0.00 -2.50 0.00 0.00 55.73 55.38 3k8x s ARG 1679Cb -0.14 -3.74 -0.03 0.00 0.06 0.00 0.00 34.95 31.10 3k8x s ARG 1679CO -0.06 -0.73 -0.09 -0.08 -2.50 0.00 0.00 175.30 171.85 3k8x s THR 1680N 3.11 0.75 -0.20 4.11 -1.32 0.19 -4.99 115.64 117.29 3k8x s THR 1680Ca 0.70 -1.46 -0.00 0.00 -1.21 0.00 0.00 61.69 59.72 3k8x s THR 1680Cb -0.34 -1.11 0.01 0.00 -1.51 0.00 0.00 72.50 69.55 3k8x s THR 1680CO 0.29 -0.53 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.33 3k8x s VAL 1681N -2.18 2.43 -0.44 5.08 1.01 -1.26 -1.38 120.40 123.66 3k8x s VAL 1681Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3k8x s VAL 1681Cb -0.05 -2.07 0.12 0.00 0.00 0.00 0.00 36.38 34.38 3k8x s VAL 1681CO -0.01 0.47 0.20 -0.63 0.00 0.00 0.00 175.10 175.14 3k8x s ILE 1682N 1.33 2.01 -0.78 2.22 -1.09 -0.85 -4.84 121.20 119.20 3k8x s ILE 1682Ca 0.04 -2.74 -0.02 0.00 -2.23 0.00 0.00 60.65 55.70 3k8x s ILE 1682Cb -0.14 -2.42 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 3k8x s ILE 1682CO -0.10 -0.78 0.71 0.59 -1.23 0.00 0.00 174.94 174.13 3k8x n ASN 1683N 3.60 -6.71 0.00 3.58 3.02 -1.26 -2.90 115.26 114.59 3k8x n ASN 1683Ca 0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3k8x n ASN 1683Cb 0.35 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 3k8x n ASN 1683CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8x n GLY 1684N -1.50 2.17 3.71 7.41 0.00 -1.26 -4.97 105.19 110.75 3k8x n GLY 1684Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3k8x n GLY 1684CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8x s GLU 1685N 0.00 4.30 -0.34 1.61 0.41 -1.14 -5.00 118.70 118.55 3k8x s GLU 1685Ca 0.00 2.10 -0.29 0.00 -0.41 0.00 0.00 54.97 56.38 3k8x s GLU 1685Cb 0.00 -3.28 -0.01 0.00 -1.78 0.00 0.00 34.13 29.06 3k8x s GLU 1685CO 0.00 -0.48 1.57 -1.21 -0.49 0.00 0.00 175.26 174.65 3k8x s GLU 1686N 1.28 3.57 -0.21 1.61 0.41 -1.26 -2.01 118.70 122.08 3k8x s GLU 1686Ca 0.65 1.27 0.01 0.00 -0.41 0.00 0.00 54.97 56.49 3k8x s GLU 1686Cb -0.37 -4.07 0.05 0.00 -1.78 0.00 0.00 34.13 27.95 3k8x s GLU 1686CO 0.30 -1.57 -0.10 1.03 -0.49 0.00 0.00 175.26 174.43 3k8x s ARG 1687N 5.06 2.01 -0.61 1.61 0.52 -0.48 -4.14 118.95 122.92 3k8x s ARG 1687Ca 0.69 -0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 54.81 3k8x s ARG 1687Cb -0.19 -2.52 0.15 0.00 0.52 0.00 0.00 34.95 32.91 3k8x s ARG 1687CO 0.32 -0.47 0.57 -0.06 0.02 0.00 0.00 175.30 175.67 3k8x s PHE 1688N 1.35 3.38 0.01 -0.53 0.08 0.04 -0.64 117.98 121.67 3k8x s PHE 1688Ca -0.03 -1.47 -0.30 0.00 0.12 0.00 0.00 56.93 55.25 3k8x s PHE 1688Cb -0.17 -3.80 -0.04 0.00 -0.57 0.00 0.00 43.02 38.44 3k8x s PHE 1688CO -0.08 -1.01 1.09 0.54 -0.10 0.00 0.00 175.22 175.66 3k8x s VAL 1689N 1.24 4.49 -0.42 -0.44 0.11 -0.67 0.16 120.40 124.86 3k8x s VAL 1689Ca 0.07 1.79 -0.28 0.00 -2.93 0.00 0.00 61.98 60.62 3k8x s VAL 1689Cb -0.25 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.46 3k8x s VAL 1689CO -0.00 0.11 1.51 -0.63 -3.33 0.00 0.00 175.10 172.76 3k8x s ILE 1690N 1.26 3.78 -0.09 7.04 1.01 0.30 -1.76 121.20 132.74 3k8x s ILE 1690Ca 0.55 0.77 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 3k8x s ILE 1690Cb -0.24 -4.10 -0.26 0.00 0.01 0.00 0.00 42.46 37.87 3k8x s ILE 1690CO 0.27 -0.73 0.49 0.11 0.00 0.00 0.00 174.94 175.08 3k8x h LYS 1691N 11.36 0.19 -2.66 2.79 6.56 -0.87 -3.44 116.57 130.51 3k8x h LYS 1691Ca -0.29 -0.33 -0.11 0.00 -1.06 0.00 0.00 60.65 58.86 3k8x h LYS 1691Cb 1.12 0.12 -0.24 0.00 -0.57 0.00 0.00 32.23 32.66 3k8x h LYS 1691CO 1.09 1.00 -0.20 0.99 -2.06 0.00 0.00 179.45 180.28 3k8x s THR 1692N -2.57 -0.00 -0.23 -0.16 2.01 -1.07 -4.99 115.64 108.63 3k8x s THR 1692Ca -0.16 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 3k8x s THR 1692Cb 0.07 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3k8x s THR 1692CO 0.79 0.00 0.33 -0.63 -0.69 0.00 0.00 174.62 174.43 3k8x s ILE 1693N 0.27 5.24 -0.24 1.82 1.01 -1.26 -1.31 121.20 126.73 3k8x s ILE 1693Ca -0.00 0.54 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 3k8x s ILE 1693Cb -0.03 -3.66 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 3k8x s ILE 1693CO 0.00 0.26 -0.25 -0.38 0.00 0.00 0.00 174.94 174.57 3k8x n ILE 1694N 4.49 1.34 -0.20 2.92 5.41 0.12 -4.99 119.36 128.45 3k8x n ILE 1694Ca -0.10 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.21 3k8x n ILE 1694Cb 0.51 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 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 2.01 -2.96 0.09 7.39 0.00 -0.38 -4.85 105.19 106.48 3k8x n GLY 1695Ca -0.44 -1.24 0.05 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.62 0.66 -4.71 1.61 3.41 -1.26 -4.74 113.62 106.96 3k8x n SER 1696Ca 0.00 0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.46 3k8x n SER 1696Cb 0.06 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 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 -3.16 4.51 0.12 4.33 2.12 -1.26 -5.03 118.70 120.33 3k8x s GLU 1697Ca -0.03 1.53 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 3k8x s GLU 1697Cb 0.10 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 3k8x s GLU 1697CO 0.82 -0.14 1.03 0.34 -0.54 0.00 0.00 175.26 176.78 3k8x s ASP 1698N 1.04 7.37 0.00 -1.70 2.15 -1.26 -4.41 116.67 119.86 3k8x s ASP 1698Ca 0.54 1.91 0.00 0.00 0.43 0.00 0.00 52.55 55.43 3k8x s ASP 1698Cb -0.24 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 3k8x s ASP 1698CO 0.28 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 3k8x n GLY 1699N 2.33 1.72 0.11 2.66 0.00 -1.26 -4.92 105.19 105.83 3k8x n GLY 1699Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 2.08 0.00 0.99 4.77 -1.26 -4.14 117.00 119.44 3k8x n LEU 1700Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3k8x n LEU 1700Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3k8x n LEU 1700CO 0.00 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3k8x n GLY 1701N 2.23 2.33 0.29 -0.72 0.00 -1.26 -2.48 105.19 105.56 3k8x n GLY 1701Ca -0.38 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 0.58 0.00 1.61 -1.51 -1.97 0.15 116.25 115.11 3k8x h VAL 1702Ca 0.00 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 3k8x h VAL 1702Cb 0.00 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.24 3k8x h VAL 1702CO 0.00 0.03 -0.06 1.05 -1.23 0.00 0.00 177.57 177.36 3k8x h GLU 1703N 0.00 0.00 0.01 5.19 9.09 -1.97 -1.52 114.58 125.38 3k8x h GLU 1703Ca -0.00 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.19 3k8x h GLU 1703Cb 0.08 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.15 3k8x h GLU 1703CO 0.00 0.06 -1.07 0.00 0.05 0.00 0.00 179.01 178.06 3k8x h LEU 1705N 0.01 0.67 -0.23 0.00 3.38 -1.17 -1.82 115.31 116.15 3k8x h LEU 1705Ca -0.04 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3k8x h LEU 1705Cb 1.80 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 3k8x h LEU 1705CO 0.13 0.84 0.09 -0.09 0.09 0.00 0.00 178.44 179.50 3k8x h ARG 1706N 0.49 0.35 -0.79 1.13 2.43 -1.37 -1.09 114.38 115.53 3k8x h ARG 1706Ca 0.10 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3k8x h ARG 1706Cb 0.51 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3k8x h ARG 1706CO 0.02 0.41 0.52 0.78 -1.51 0.00 0.00 179.97 180.20 3k8x h GLY 1707N 0.22 1.11 1.07 2.80 0.00 -1.51 -0.71 103.07 106.06 3k8x h GLY 1707Ca 0.08 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 3k8x h GLY 1707CO -0.01 0.34 -0.08 1.76 0.00 0.00 0.00 176.54 178.56 3k8x h SER 1708N 0.99 1.00 -0.84 0.19 0.02 -0.99 -2.68 113.55 111.24 3k8x h SER 1708Ca 0.31 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3k8x h SER 1708Cb 0.02 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 3k8x h SER 1708CO -0.09 1.11 0.45 1.23 -1.14 0.00 0.00 176.83 178.39 3k8x h GLY 1709N 0.87 1.27 1.00 -3.77 0.00 -0.55 -1.02 103.07 100.86 3k8x h GLY 1709Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3k8x h GLY 1709CO 0.04 0.56 0.20 -2.00 0.00 0.00 0.00 176.54 175.34 3k8x h LEU 1710N 1.19 0.35 -0.14 3.11 5.85 -0.99 -1.19 115.31 123.49 3k8x h LEU 1710Ca 0.30 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 3k8x h LEU 1710Cb 0.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3k8x h LEU 1710CO -0.05 0.27 -0.47 0.16 -0.34 0.00 0.00 178.44 178.01 3k8x h ILE 1711N 0.41 0.83 -0.05 4.05 3.07 -1.31 -1.14 117.51 123.37 3k8x h ILE 1711Ca 0.11 -2.08 -0.00 0.00 1.55 0.00 0.00 64.86 64.44 3k8x h ILE 1711Cb -0.04 2.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.85 3k8x h ILE 1711CO -0.02 0.46 0.03 0.00 -1.05 0.00 0.00 178.15 177.56 3k8x h ALA 1712N 1.53 0.07 -0.46 0.16 0.00 -1.00 -1.72 119.26 117.85 3k8x h ALA 1712Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3k8x h ALA 1712Cb 1.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3k8x h ALA 1712CO 0.06 -0.39 -0.20 0.78 0.00 0.00 0.00 179.25 179.50 3k8x h GLY 1713N 0.00 0.99 1.50 0.00 0.00 -1.10 -1.74 103.07 102.72 3k8x h GLY 1713Ca 0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 3k8x h GLY 1713CO -0.00 0.77 0.08 0.00 0.00 0.00 0.00 176.54 177.39 3k8x h ALA 1714N 0.97 1.36 0.19 3.60 0.00 -1.15 -2.29 119.26 121.95 3k8x h ALA 1714Ca 0.11 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 3k8x h ALA 1714Cb 0.75 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.40 3k8x h ALA 1714CO 0.06 0.45 -1.35 1.15 0.00 0.00 0.00 179.25 179.57 3k8x h THR 1715N 0.62 1.29 -0.65 0.00 2.02 -1.17 -0.46 112.91 114.56 3k8x h THR 1715Ca 0.14 -2.58 0.13 0.00 0.77 0.00 0.00 66.41 64.86 3k8x h THR 1715Cb 0.26 2.91 -0.09 0.00 -1.74 0.00 0.00 68.15 69.48 3k8x h THR 1715CO -0.00 0.78 0.15 -1.28 0.37 0.00 0.00 175.52 175.53 3k8x h SER 1716N 0.17 0.01 -0.13 4.18 0.87 -1.20 -1.18 113.55 116.28 3k8x h SER 1716Ca -0.22 0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.28 3k8x h SER 1716Cb 2.04 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 64.16 3k8x h SER 1716CO 0.26 0.00 -0.57 0.03 -0.53 0.00 0.00 176.83 176.02 3k8x h ARG 1717N 0.27 0.73 -0.72 2.24 3.08 -1.35 -3.22 114.38 115.40 3k8x h ARG 1717Ca 0.35 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3k8x h ARG 1717Cb 0.54 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3k8x h ARG 1717CO -0.43 1.10 0.39 0.00 -1.07 0.00 0.00 179.97 179.95 3k8x h ALA 1718N 0.80 0.93 -0.89 0.04 0.00 -0.41 -2.38 119.26 117.35 3k8x h ALA 1718Ca 0.01 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.97 3k8x h ALA 1718Cb 1.15 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3k8x h ALA 1718CO 0.12 0.44 0.58 -0.92 0.00 0.00 0.00 179.25 179.47 3k8x h TYR 1719N 1.00 0.71 -0.00 0.00 5.03 -1.25 0.20 116.97 122.65 3k8x h TYR 1719Ca 0.25 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.58 3k8x h TYR 1719Cb 0.04 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.11 3k8x h TYR 1719CO -0.00 0.23 -0.01 0.72 -1.32 0.00 0.00 178.16 177.78 3k8x n HIS 1720N -4.55 0.00 0.00 -3.82 8.25 -0.90 -4.07 115.22 110.13 3k8x n HIS 1720Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3k8x n HIS 1720Cb 0.56 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.92 0.02 -4.41 0.41 4.64 0.47 -4.59 116.55 112.18 3k8x n ASP 1721Ca 0.21 0.01 -0.21 0.00 -1.38 0.00 0.00 54.79 53.42 3k8x n ASP 1721Cb 0.17 -0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.15 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 -2.00 1.52 0.00 5.18 -4.36 0.14 -4.62 121.20 117.06 3k8x s ILE 1722Ca 0.00 -2.10 -0.30 0.00 -0.26 0.00 0.00 60.65 57.99 3k8x s ILE 1722Cb 0.00 -2.45 -0.07 0.00 1.25 0.00 0.00 42.46 41.19 3k8x s ILE 1722CO 0.00 -0.29 1.64 0.12 0.24 0.00 0.00 174.94 176.65 3k8x s PHE 1723N -3.09 2.22 -0.04 1.37 5.36 -1.26 -4.39 117.98 118.16 3k8x s PHE 1723Ca 0.30 0.29 0.07 0.00 -0.96 0.00 0.00 56.93 56.62 3k8x s PHE 1723Cb 0.04 -3.92 -0.01 0.00 -0.34 0.00 0.00 43.02 38.79 3k8x s PHE 1723CO 0.11 -3.76 -0.25 0.95 -1.46 0.00 0.00 175.22 170.82 3k8x s THR 1724N 3.32 1.98 -0.04 0.12 -4.23 -1.26 -1.42 115.64 114.12 3k8x s THR 1724Ca 0.73 -1.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.02 3k8x s THR 1724Cb -0.36 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 71.85 3k8x s THR 1724CO 0.31 0.56 0.38 -0.51 -0.54 0.00 0.00 174.62 174.81 3k8x s ILE 1725N -0.34 0.04 0.02 2.99 2.07 -1.06 -4.17 121.20 120.75 3k8x s ILE 1725Ca 0.02 -0.34 0.05 0.00 -1.41 0.00 0.00 60.65 58.97 3k8x s ILE 1725Cb -0.12 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 3k8x s ILE 1725CO 0.01 -0.19 -0.14 0.28 -1.91 0.00 0.00 174.94 172.99 3k8x s THR 1726N -1.10 1.14 -0.19 4.00 -1.32 -0.30 -0.56 115.64 117.31 3k8x s THR 1726Ca -0.11 -0.84 -0.03 0.00 -1.21 0.00 0.00 61.69 59.50 3k8x s THR 1726Cb -0.04 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 3k8x s THR 1726CO 0.05 0.15 -0.06 -0.22 -2.21 0.00 0.00 174.62 172.32 3k8x s LEU 1727N -0.79 2.88 -0.29 9.08 2.96 0.21 -1.02 118.68 131.71 3k8x s LEU 1727Ca 0.04 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.40 3k8x s LEU 1727Cb -0.07 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3k8x s LEU 1727CO 0.01 0.04 0.58 -0.69 -1.32 0.00 0.00 176.35 174.96 3k8x s VAL 1728N 1.12 5.00 0.00 1.68 1.01 -0.29 -0.40 120.40 128.52 3k8x s VAL 1728Ca 0.01 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3k8x s VAL 1728Cb -0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3k8x s VAL 1728CO -0.01 -0.04 0.22 0.41 0.00 0.00 0.00 175.10 175.68 3k8x n THR 1729N 5.28 0.00 0.00 3.92 -1.04 0.01 -2.19 114.28 120.26 3k8x n THR 1729Ca -0.02 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 3k8x n THR 1729Cb 0.49 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 70.01 3k8x n THR 1729CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k8x s ARG 1731N -1.17 0.22 -0.07 0.00 1.70 -1.26 -4.20 118.95 114.17 3k8x s ARG 1731Ca 0.00 -0.10 -0.03 0.00 -0.47 0.00 0.00 55.73 55.14 3k8x s ARG 1731Cb 0.00 0.09 0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3k8x s ARG 1731CO 0.00 -0.10 0.13 0.45 -1.08 0.00 0.00 175.30 174.70 3k8x s SER 1732N -2.35 0.55 -0.02 -2.89 0.15 -0.62 -1.06 113.70 107.46 3k8x s SER 1732Ca 0.11 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.07 3k8x s SER 1732Cb 0.01 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 3k8x s SER 1732CO -0.04 -0.21 -0.16 -0.69 1.20 0.00 0.00 173.24 173.33 3k8x s VAL 1733N 1.91 1.31 0.00 4.45 1.01 -1.25 -1.47 120.40 126.36 3k8x s VAL 1733Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3k8x s VAL 1733Cb -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3k8x s VAL 1733CO -0.05 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3k8x n GLY 1734N 2.86 3.49 0.37 4.51 0.00 -0.13 -0.94 105.19 115.36 3k8x n GLY 1734Ca -0.16 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.86 -0.61 6.09 -1.92 0.03 117.51 121.05 3k8x h ILE 1735Ca 0.00 -0.24 -0.00 0.00 -1.37 0.00 0.00 64.86 63.25 3k8x h ILE 1735Cb 0.00 0.05 -0.04 0.00 0.47 0.00 0.00 36.82 37.29 3k8x h ILE 1735CO 0.00 0.13 0.53 1.23 -3.07 0.00 0.00 178.15 176.97 3k8x h GLY 1736N 0.70 1.23 0.99 8.18 0.00 -1.38 0.48 103.07 113.28 3k8x h GLY 1736Ca 0.48 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3k8x h GLY 1736CO -0.23 0.48 0.29 0.00 0.00 0.00 0.00 176.54 177.08 3k8x h ALA 1737N 1.29 0.75 -0.40 3.60 0.00 -1.08 -2.73 119.26 120.69 3k8x h ALA 1737Ca 0.31 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3k8x h ALA 1737Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3k8x h ALA 1737CO -0.06 0.30 -0.12 1.88 0.00 0.00 0.00 179.25 181.25 3k8x h TYR 1738N 0.79 0.77 -0.60 0.00 -1.99 -0.64 -2.89 116.97 112.41 3k8x h TYR 1738Ca 0.20 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 3k8x h TYR 1738Cb 0.10 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 3k8x h TYR 1738CO -0.00 0.79 0.30 -0.07 -0.00 0.00 0.00 178.16 179.18 3k8x h LEU 1739N 0.64 0.75 -0.04 3.88 3.38 -0.80 0.14 115.31 123.26 3k8x h LEU 1739Ca 0.11 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3k8x h LEU 1739Cb 0.57 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3k8x h LEU 1739CO 0.04 0.62 -0.15 0.58 0.09 0.00 0.00 178.44 179.62 3k8x h VAL 1740N 0.84 0.62 -0.31 1.22 2.07 -1.27 -2.18 116.25 117.23 3k8x h VAL 1740Ca 0.21 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.57 3k8x h VAL 1740Cb 0.06 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3k8x h VAL 1740CO -0.03 0.00 -0.43 -0.09 0.02 0.00 0.00 177.57 177.04 3k8x h ARG 1741N -0.23 0.78 0.00 1.57 9.65 -1.38 -2.94 114.38 121.83 3k8x h ARG 1741Ca 0.06 -0.43 -0.06 0.00 -1.10 0.00 0.00 59.98 58.45 3k8x h ARG 1741Cb 0.32 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 3k8x h ARG 1741CO -0.17 1.06 -0.30 -0.07 2.80 0.00 0.00 179.97 183.28 3k8x h LEU 1742N 0.63 0.00 0.00 3.80 3.38 -0.57 -0.13 115.31 122.42 3k8x h LEU 1742Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k8x h LEU 1742Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3k8x h LEU 1742CO 0.10 0.30 -0.16 0.61 0.09 0.00 0.00 178.44 179.38 3k8x n GLY 1743N -0.61 -1.47 5.04 0.83 0.00 -0.84 -4.42 105.19 103.73 3k8x n GLY 1743Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.67 0.00 -2.41 1.61 1.13 -0.06 -4.45 117.38 111.54 3k8x n GLN 1744Ca 0.06 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.69 3k8x n GLN 1744Cb 0.36 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.69 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 4.24 -0.05 -1.09 0.52 -1.26 -4.80 118.95 116.50 3k8x s ARG 1745Ca 0.00 1.69 -0.03 0.00 -0.52 0.00 0.00 55.73 56.86 3k8x s ARG 1745Cb 0.00 -3.76 0.03 0.00 0.52 0.00 0.00 34.95 31.74 3k8x s ARG 1745CO 0.00 -0.70 0.13 0.00 0.02 0.00 0.00 175.30 174.75 3k8x s ALA 1746N 3.44 -0.27 -0.15 2.13 0.00 -1.26 -1.14 121.76 124.50 3k8x s ALA 1746Ca 0.56 0.50 0.01 0.00 0.00 0.00 0.00 51.96 53.03 3k8x s ALA 1746Cb -0.22 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3k8x s ALA 1746CO 0.16 -0.11 -0.18 0.42 0.00 0.00 0.00 175.76 176.05 3k8x s ILE 1747N 0.62 2.43 -0.27 0.00 1.01 -0.19 0.96 121.20 125.76 3k8x s ILE 1747Ca -0.05 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 3k8x s ILE 1747Cb -0.06 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.41 3k8x s ILE 1747CO -0.03 0.53 0.02 -1.58 0.00 0.00 0.00 174.94 173.88 3k8x s GLN 1748N 0.81 3.06 0.29 2.79 0.74 -0.16 -1.14 119.66 126.05 3k8x s GLN 1748Ca -0.06 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.20 3k8x s GLN 1748Cb -0.15 -3.21 -0.11 0.00 1.10 0.00 0.00 33.01 30.64 3k8x s GLN 1748CO -0.01 -0.39 1.54 0.08 -0.55 0.00 0.00 175.29 175.95 3k8x s VAL 1749N 1.45 2.26 0.28 1.34 1.01 -0.93 -1.83 120.40 123.96 3k8x s VAL 1749Ca 0.02 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 3k8x s VAL 1749Cb -0.17 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.94 3k8x s VAL 1749CO -0.00 0.04 1.20 -0.62 0.00 0.00 0.00 175.10 175.72 3k8x n GLU 1750N 2.08 1.71 -0.96 2.72 1.02 0.10 -2.11 120.64 125.20 3k8x n GLU 1750Ca 0.07 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 3k8x n GLU 1750Cb 0.38 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 1.42 0.67 3.17 0.62 0.00 -1.26 -4.97 105.19 104.83 3k8x n GLY 1751Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.19 2.30 0.35 1.61 -1.52 -0.90 -5.00 119.66 116.31 3k8x s GLN 1752Ca 0.00 -1.45 -0.25 0.00 -1.95 0.00 0.00 55.36 51.71 3k8x s GLN 1752Cb 0.00 -3.37 -0.09 0.00 -0.22 0.00 0.00 33.01 29.33 3k8x s GLN 1752CO 0.00 -0.79 1.01 -1.25 -0.25 0.00 0.00 175.29 174.01 3k8x s PRO 1753N 1.24 4.40 -0.36 2.91 0.04 -1.26 -4.75 135.00 137.22 3k8x s PRO 1753Ca 0.00 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 3k8x s PRO 1753Cb -0.21 -2.72 0.05 0.00 0.04 0.00 0.00 34.50 31.66 3k8x s PRO 1753CO -0.02 0.08 0.15 0.42 0.04 0.00 0.00 177.00 177.67 3k8x s ILE 1754N -1.60 3.92 0.07 0.56 1.01 0.14 -1.59 121.20 123.71 3k8x s ILE 1754Ca 0.53 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3k8x s ILE 1754Cb -0.21 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 3k8x s ILE 1754CO 0.27 -0.26 -0.06 0.27 0.00 0.00 0.00 174.94 175.16 3k8x s ILE 1755N 1.41 0.51 -0.16 2.92 -4.36 -0.54 -4.08 121.20 116.89 3k8x s ILE 1755Ca -0.00 -1.57 -0.25 0.00 -0.26 0.00 0.00 60.65 58.57 3k8x s ILE 1755Cb -0.20 -1.21 -0.23 0.00 1.25 0.00 0.00 42.46 42.06 3k8x s ILE 1755CO 0.03 -0.72 0.54 -0.07 0.24 0.00 0.00 174.94 174.96 3k8x h LEU 1756N 3.59 0.03 -8.37 0.37 3.38 -1.91 -0.31 115.31 112.10 3k8x h LEU 1756Ca -0.35 -0.79 -0.17 0.00 0.09 0.00 0.00 57.88 56.66 3k8x h LEU 1756Cb 1.18 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 3k8x h LEU 1756CO 0.56 1.24 -0.60 0.42 0.09 0.00 0.00 178.44 180.14 3k8x s THR 1757N -2.30 0.10 0.64 0.22 -4.23 -1.26 -3.69 115.64 105.12 3k8x s THR 1757Ca -0.23 -1.83 -0.17 0.00 -1.18 0.00 0.00 61.69 58.28 3k8x s THR 1757Cb 0.01 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 3k8x s THR 1757CO 0.66 -0.46 1.19 -0.83 -0.54 0.00 0.00 174.62 174.64 3k8x s GLY 1758N -3.03 2.56 0.18 3.99 0.00 -1.26 -4.89 107.32 104.87 3k8x s GLY 1758Ca 0.23 0.91 -0.17 0.00 0.00 0.00 0.00 44.72 45.69 3k8x s GLY 1758CO 0.01 1.30 1.65 0.00 0.00 0.00 0.00 173.10 176.07 3k8x h ALA 1759N 0.45 0.26 -0.45 3.20 0.00 -1.93 -1.96 119.26 118.85 3k8x h ALA 1759Ca -0.49 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3k8x h ALA 1759Cb 1.29 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 3k8x h ALA 1759CO 0.53 -0.47 0.14 -1.35 0.00 0.00 0.00 179.25 178.11 3k8x h PRO 1760N -0.03 0.29 -0.23 0.00 0.11 -1.93 0.38 132.00 130.60 3k8x h PRO 1760Ca 0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 3k8x h PRO 1760Cb 0.36 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3k8x h PRO 1760CO -0.48 0.19 0.11 0.00 -0.21 0.00 0.00 178.00 177.62 3k8x h ALA 1761N 1.31 1.77 0.01 -0.75 0.00 -1.88 0.10 119.26 119.81 3k8x h ALA 1761Ca 0.21 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 3k8x h ALA 1761Cb 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k8x h ALA 1761CO -0.23 0.20 -1.02 0.82 0.00 0.00 0.00 179.25 179.01 3k8x h ILE 1762N 0.31 1.29 0.04 0.00 2.04 -0.45 -3.02 117.51 117.73 3k8x h ILE 1762Ca 0.08 -2.24 0.02 0.00 1.00 0.00 0.00 64.86 63.72 3k8x h ILE 1762Cb 0.04 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3k8x h ILE 1762CO -0.01 0.69 -0.16 0.78 0.00 0.00 0.00 178.15 179.45 3k8x h ASN 1763N 0.34 -0.44 -0.94 1.72 -0.26 0.47 -2.60 115.58 113.86 3k8x h ASN 1763Ca -0.13 0.06 0.19 0.00 -0.56 0.00 0.00 56.30 55.86 3k8x h ASN 1763Cb 1.68 0.18 -0.08 0.00 -1.06 0.00 0.00 38.32 39.04 3k8x h ASN 1763CO 0.20 -0.22 0.60 0.50 -1.06 0.00 0.00 177.43 177.45 3k8x h LYS 1764N -0.28 0.56 -0.00 0.81 3.64 -0.91 0.30 116.57 120.70 3k8x h LYS 1764Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k8x h LYS 1764Cb 0.32 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3k8x h LYS 1764CO -0.12 0.37 -0.06 -0.12 -2.27 0.00 0.00 179.45 177.25 3k8x n MET 1765N -4.60 0.12 -0.04 1.90 1.56 -1.09 -3.43 117.12 111.54 3k8x n MET 1765Ca 0.20 -0.01 0.02 0.00 -0.27 0.00 0.00 57.70 57.64 3k8x n MET 1765Cb 0.62 -1.50 0.04 0.00 2.15 0.00 0.00 33.22 34.53 3k8x n MET 1765CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3k8x n LEU 1766N -1.43 1.95 0.00 -0.89 4.77 0.01 -5.02 117.00 116.40 3k8x n LEU 1766Ca 0.09 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 3k8x n LEU 1766Cb 0.32 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3k8x n LEU 1766CO 0.27 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3k8x n GLY 1767N 0.03 1.09 3.73 -0.72 0.00 -0.68 -4.91 105.19 103.73 3k8x n GLY 1767Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.24 -1.13 1.61 3.52 -1.26 -4.81 118.95 118.12 3k8x s ARG 1768Ca 0.00 0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 56.24 3k8x s ARG 1768Cb 0.00 -1.81 0.27 0.00 -1.56 0.00 0.00 34.95 31.84 3k8x s ARG 1768CO 0.00 -2.23 1.36 -1.91 -0.81 0.00 0.00 175.30 171.72 3k8x n GLU 1769N -3.86 3.90 -0.03 5.12 2.13 -1.26 -4.50 120.64 122.14 3k8x n GLU 1769Ca 0.07 -4.34 -0.13 0.00 0.66 0.00 0.00 57.16 53.41 3k8x n GLU 1769Cb 0.56 -2.62 -0.11 0.00 0.27 0.00 0.00 31.44 29.54 3k8x n GLU 1769CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3k8x h VAL 1770N 3.67 1.44 -3.37 6.31 2.07 -1.93 -3.46 116.25 120.98 3k8x h VAL 1770Ca 0.22 -1.64 -0.67 0.00 0.82 0.00 0.00 66.70 65.43 3k8x h VAL 1770Cb 0.75 2.51 -0.14 0.00 -1.52 0.00 0.00 31.29 32.89 3k8x h VAL 1770CO 1.22 0.41 -0.64 -0.31 0.02 0.00 0.00 177.57 178.27 3k8x s TYR 1771N -3.21 3.09 -0.83 1.57 1.51 -1.26 -4.89 117.35 113.33 3k8x s TYR 1771Ca -0.16 0.10 0.22 0.00 -1.01 0.00 0.00 57.07 56.22 3k8x s TYR 1771Cb -0.01 -1.70 -0.12 0.00 -0.11 0.00 0.00 41.96 40.02 3k8x s TYR 1771CO 0.63 0.45 0.92 -2.37 -1.11 0.00 0.00 175.55 174.08 3k8x n THR 1772N 1.64 0.02 -3.64 -0.71 5.66 -1.26 -4.80 114.28 111.20 3k8x n THR 1772Ca -0.16 -0.09 -0.14 0.00 -3.05 0.00 0.00 64.05 60.61 3k8x n THR 1772Cb 0.53 0.69 -0.07 0.00 -1.55 0.00 0.00 70.33 69.92 3k8x n THR 1772CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3k8x s SER 1773N -3.31 -0.67 0.51 1.09 0.15 -1.26 -5.02 113.70 105.19 3k8x s SER 1773Ca 0.06 1.23 0.16 0.00 0.70 0.00 0.00 55.95 58.10 3k8x s SER 1773Cb 0.16 1.24 1.25 0.00 -1.71 0.00 0.00 66.02 66.95 3k8x s SER 1773CO 0.85 -0.27 2.14 0.78 1.20 0.00 0.00 173.24 177.93 3k8x h ASN 1774N 4.84 0.01 0.19 5.45 2.35 -1.96 -2.05 115.58 124.42 3k8x h ASN 1774Ca -0.28 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 3k8x h ASN 1774Cb 1.16 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 3k8x h ASN 1774CO 0.13 0.02 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.77 3k8x h LEU 1775N 0.01 0.00 -1.29 1.61 3.38 -1.95 0.03 115.31 117.10 3k8x h LEU 1775Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3k8x h LEU 1775Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3k8x h LEU 1775CO 0.00 0.09 -0.19 1.56 0.09 0.00 0.00 178.44 179.99 3k8x h GLN 1776N 0.00 0.00 0.10 1.13 4.20 -1.77 -1.03 115.11 117.74 3k8x h GLN 1776Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 3k8x h GLN 1776Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3k8x h GLN 1776CO 0.01 0.19 -1.72 -0.07 -0.67 0.00 0.00 178.83 176.57 3k8x h LEU 1777N 0.00 0.34 -2.40 1.46 3.38 -1.13 -3.45 115.31 113.51 3k8x h LEU 1777Ca -0.00 -0.84 -0.10 0.00 0.09 0.00 0.00 57.88 57.02 3k8x h LEU 1777Cb 0.65 -0.11 -0.20 0.00 0.09 0.00 0.00 40.66 41.09 3k8x h LEU 1777CO 0.02 1.74 -0.69 0.61 0.09 0.00 0.00 178.44 180.21 3k8x n GLY 1778N 1.82 0.78 3.78 0.83 0.00 -0.40 -4.91 105.19 107.10 3k8x n GLY 1778Ca -0.30 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.40 1.67 0.54 -0.02 0.00 -0.39 -0.69 107.32 107.03 3k8x s GLY 1779Ca 0.16 -1.01 0.20 0.00 0.00 0.00 0.00 44.72 44.08 3k8x s GLY 1779CO -0.08 -0.22 2.13 -0.91 0.00 0.00 0.00 173.10 174.01 3k8x h THR 1780N -1.98 0.86 0.00 0.90 1.35 -1.88 0.11 112.91 112.28 3k8x h THR 1780Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3k8x h THR 1780Cb 1.27 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3k8x h THR 1780CO 0.40 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.67 3k8x n GLN 1781N -4.38 0.12 -0.09 4.72 0.00 -1.26 -0.78 117.38 115.71 3k8x n GLN 1781Ca -0.00 0.33 -0.15 0.00 0.00 0.00 0.00 57.00 57.17 3k8x n GLN 1781Cb 0.20 -1.71 -0.07 0.00 0.00 0.00 0.00 30.24 28.66 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 -1.93 1.49 0.03 -0.39 2.08 0.31 -4.38 119.36 116.56 3k8x n ILE 1782Ca 0.03 0.04 -0.13 0.00 0.56 0.00 0.00 62.75 63.25 3k8x n ILE 1782Cb 0.22 -2.18 -0.14 0.00 -0.75 0.00 0.00 39.64 36.79 3k8x n ILE 1782CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3k8x h MET 1783N -1.00 0.13 -0.16 0.38 2.86 -1.09 -1.12 114.93 114.92 3k8x h MET 1783Ca -0.23 -0.22 -0.22 0.00 -2.06 0.00 0.00 59.70 56.98 3k8x h MET 1783Cb 1.02 0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.77 3k8x h MET 1783CO -0.14 0.89 -0.75 -0.92 1.06 0.00 0.00 176.91 177.05 3k8x h TYR 1784N 0.03 1.02 0.00 -0.22 3.20 -1.17 -0.20 116.97 119.64 3k8x h TYR 1784Ca -0.25 -0.44 -0.03 0.00 3.14 0.00 0.00 58.73 61.15 3k8x h TYR 1784Cb 1.98 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 40.08 3k8x h TYR 1784CO 0.03 1.27 -0.16 -0.91 -1.64 0.00 0.00 178.16 176.75 3k8x h ASN 1785N 0.53 0.00 1.26 -2.11 4.21 -1.53 -3.07 115.58 114.87 3k8x h ASN 1785Ca -0.04 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.33 3k8x h ASN 1785Cb 1.37 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.55 3k8x h ASN 1785CO 0.15 0.16 -0.64 0.78 -1.29 0.00 0.00 177.43 176.60 3k8x h ASN 1786N 0.00 0.00 0.00 5.81 2.35 -1.18 -3.40 115.58 119.16 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 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3k8x h ASN 1786CO 0.02 0.64 0.00 0.61 -1.65 0.00 0.00 177.43 177.05 3k8x n GLY 1787N 1.13 0.63 0.22 2.83 0.00 -1.02 -4.92 105.19 104.07 3k8x n GLY 1787Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 1.30 -3.63 1.61 2.07 -1.69 -3.41 116.25 112.50 3k8x h VAL 1788Ca 0.00 -1.49 -0.62 0.00 0.82 0.00 0.00 66.70 65.41 3k8x h VAL 1788Cb 0.00 1.58 -0.13 0.00 -1.52 0.00 0.00 31.29 31.21 3k8x h VAL 1788CO 0.00 0.48 -0.19 -0.44 0.02 0.00 0.00 177.57 177.44 3k8x s SER 1789N -6.60 6.33 0.19 0.57 0.01 -0.15 -4.46 113.70 109.59 3k8x s SER 1789Ca -0.12 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 3k8x s SER 1789Cb 0.09 -2.23 0.11 0.00 0.21 0.00 0.00 66.02 64.21 3k8x s SER 1789CO 0.84 -0.17 1.49 0.45 0.41 0.00 0.00 173.24 176.26 3k8x h HIS 1790N 7.92 0.62 -3.72 2.43 3.86 0.35 -3.40 115.15 123.20 3k8x h HIS 1790Ca -0.32 -0.23 -0.10 0.00 -1.16 0.00 0.00 60.37 58.55 3k8x h HIS 1790Cb 1.16 -0.11 -0.16 0.00 1.06 0.00 0.00 27.41 29.36 3k8x h HIS 1790CO 0.74 0.96 -0.42 -0.51 0.86 0.00 0.00 177.93 179.56 3k8x s LEU 1791N -8.20 1.51 0.15 2.43 1.43 -1.06 0.07 118.68 115.01 3k8x s LEU 1791Ca -0.07 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3k8x s LEU 1791Cb 0.11 0.90 -0.04 0.00 0.03 0.00 0.00 46.19 47.19 3k8x s LEU 1791CO 0.84 -0.62 0.09 -0.89 0.23 0.00 0.00 176.35 175.99 3k8x s THR 1792N -3.13 4.28 -0.02 5.49 2.01 -1.26 -0.99 115.64 122.02 3k8x s THR 1792Ca -0.01 -1.11 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 3k8x s THR 1792Cb 0.02 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.38 3k8x s THR 1792CO -0.07 -0.06 0.04 0.00 -0.69 0.00 0.00 174.62 173.84 3k8x s ALA 1793N -1.66 -0.08 0.33 7.40 0.00 -0.76 -4.84 121.76 122.15 3k8x s ALA 1793Ca 0.29 0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.49 3k8x s ALA 1793Cb -0.10 -0.08 0.56 0.00 0.00 0.00 0.00 23.12 23.50 3k8x s ALA 1793CO 0.22 -0.03 1.74 -0.39 0.00 0.00 0.00 175.76 177.30 3k8x h VAL 1794N 5.21 1.32 -3.28 0.00 -1.51 -1.92 0.29 116.25 116.35 3k8x h VAL 1794Ca -0.26 -1.56 -0.07 0.00 -1.23 0.00 0.00 66.70 63.58 3k8x h VAL 1794Cb 1.20 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 32.15 3k8x h VAL 1794CO 0.48 0.45 0.15 1.51 -1.23 0.00 0.00 177.57 178.93 3k8x s ASP 1795N -6.90 0.18 0.16 4.19 1.47 -1.26 -4.49 116.67 110.02 3k8x s ASP 1795Ca -0.03 -1.17 -0.18 0.00 1.18 0.00 0.00 52.55 52.36 3k8x s ASP 1795Cb 0.14 0.79 0.08 0.00 -0.34 0.00 0.00 42.92 43.58 3k8x s ASP 1795CO 0.75 -1.55 1.66 0.44 0.68 0.00 0.00 175.17 177.15 3k8x h ASP 1796N 2.03 -0.44 -0.57 2.11 3.32 -1.94 -1.13 116.42 119.80 3k8x h ASP 1796Ca -0.30 0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.89 3k8x h ASP 1796Cb 1.25 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 41.03 3k8x h ASP 1796CO 0.38 -0.16 0.36 0.25 -1.72 0.00 0.00 179.24 178.35 3k8x h LEU 1797N -0.05 0.59 -1.05 1.55 5.85 -1.97 0.49 115.31 120.72 3k8x h LEU 1797Ca 0.18 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3k8x h LEU 1797Cb 0.32 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3k8x h LEU 1797CO -0.40 0.42 0.64 0.00 -0.34 0.00 0.00 178.44 178.76 3k8x h ALA 1798N 1.24 1.39 -0.30 1.25 0.00 -1.80 -0.06 119.26 120.98 3k8x h ALA 1798Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3k8x h ALA 1798Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3k8x h ALA 1798CO -0.08 0.49 0.20 0.78 0.00 0.00 0.00 179.25 180.64 3k8x h GLY 1799N 1.20 0.42 1.07 0.00 0.00 -0.24 -1.53 103.07 103.97 3k8x h GLY 1799Ca 0.40 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.51 3k8x h GLY 1799CO -0.14 0.15 0.19 -2.08 0.00 0.00 0.00 176.54 174.66 3k8x h VAL 1800N 0.40 1.26 -0.43 4.60 2.07 -0.34 -1.06 116.25 122.76 3k8x h VAL 1800Ca 0.11 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3k8x h VAL 1800Cb -0.05 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3k8x h VAL 1800CO -0.02 0.37 0.27 -0.33 0.02 0.00 0.00 177.57 177.88 3k8x h GLU 1801N 1.10 0.53 -0.73 1.57 5.08 -0.88 -1.04 114.58 120.21 3k8x h GLU 1801Ca 0.23 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3k8x h GLU 1801Cb 0.36 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3k8x h GLU 1801CO 0.00 0.35 0.37 0.87 -1.00 0.00 0.00 179.01 179.60 3k8x h LYS 1802N 0.54 1.03 0.19 2.33 1.57 -1.02 0.25 116.57 121.47 3k8x h LYS 1802Ca 0.16 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3k8x h LYS 1802Cb -0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3k8x h LYS 1802CO -0.06 0.78 -0.20 0.82 -0.57 0.00 0.00 179.45 180.22 3k8x h ILE 1803N 1.03 0.55 -0.67 1.86 2.04 -0.70 0.85 117.51 122.47 3k8x h ILE 1803Ca 0.26 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.08 3k8x h ILE 1803Cb 0.07 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3k8x h ILE 1803CO -0.04 0.00 0.27 0.58 0.00 0.00 0.00 178.15 178.96 3k8x h VAL 1804N -0.43 1.23 -0.25 1.67 2.07 -1.01 0.18 116.25 119.71 3k8x h VAL 1804Ca 0.00 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3k8x h VAL 1804Cb 0.41 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3k8x h VAL 1804CO -0.06 0.29 -0.00 -0.08 0.02 0.00 0.00 177.57 177.74 3k8x h GLU 1805N 0.96 0.44 -0.40 1.57 4.81 -0.82 -2.28 114.58 118.86 3k8x h GLU 1805Ca 0.23 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3k8x h GLU 1805Cb 0.18 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3k8x h GLU 1805CO -0.02 0.62 0.08 2.35 -0.73 0.00 0.00 179.01 181.30 3k8x h TRP 1806N 0.22 0.12 0.00 0.92 2.91 -0.32 -2.40 115.95 117.39 3k8x h TRP 1806Ca 0.07 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 3k8x h TRP 1806Cb 0.42 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 3k8x h TRP 1806CO 0.04 0.01 -0.06 0.52 -1.03 0.00 0.00 178.44 177.91 3k8x h MET 1807N 0.20 0.00 0.00 2.65 2.86 -0.55 -2.70 114.93 117.40 3k8x h MET 1807Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3k8x h MET 1807Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3k8x h MET 1807CO -0.26 0.06 0.00 0.66 1.06 0.00 0.00 176.91 178.44 3k8x h SER 1808N 0.00 0.00 0.48 1.22 4.64 -0.87 -0.93 113.55 118.09 3k8x h SER 1808Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k8x h SER 1808Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3k8x h SER 1808CO 0.01 0.00 -0.43 -1.22 -0.87 0.00 0.00 176.83 174.32 3k8x n TYR 1809N -2.53 0.00 -4.36 4.77 4.02 -1.02 -4.85 117.16 113.19 3k8x n TYR 1809Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.54 3k8x n TYR 1809Cb 0.09 -0.24 -0.09 0.00 -0.02 0.00 0.00 39.34 39.08 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 -2.91 4.14 0.75 -0.72 1.01 -0.35 -4.53 120.40 117.79 3k8x s VAL 1810Ca 0.14 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 3k8x s VAL 1810Cb 0.18 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.82 3k8x s VAL 1810CO 0.66 0.48 1.23 -2.84 0.00 0.00 0.00 175.10 174.63 3k8x s PRO 1811N -1.24 1.94 0.48 2.72 0.02 -1.26 -4.66 135.00 133.00 3k8x s PRO 1811Ca 0.16 1.84 0.13 0.00 0.02 0.00 0.00 61.00 63.16 3k8x s PRO 1811Cb -0.11 -1.80 1.11 0.00 0.02 0.00 0.00 34.50 33.72 3k8x s PRO 1811CO 0.06 -2.00 2.11 0.00 -0.33 0.00 0.00 177.00 176.84 3k8x h ALA 1812N -0.44 1.88 -2.69 -1.55 0.00 -1.90 -3.44 119.26 111.13 3k8x h ALA 1812Ca -0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3k8x h ALA 1812Cb 1.31 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 3k8x h ALA 1812CO 0.48 0.11 -0.18 0.15 0.00 0.00 0.00 179.25 179.81 3k8x s LYS 1813N -5.17 1.07 -0.15 0.00 1.02 -1.26 -4.55 119.74 110.69 3k8x s LYS 1813Ca -0.06 -0.88 -0.41 0.00 0.02 0.00 0.00 55.97 54.64 3k8x s LYS 1813Cb 0.17 0.43 -0.19 0.00 -0.52 0.00 0.00 37.83 37.71 3k8x s LYS 1813CO 0.69 -0.40 1.20 -2.13 -0.92 0.00 0.00 175.35 173.79 3k8x n ARG 1814N -0.20 0.00 -0.91 1.68 0.63 0.26 -1.73 116.66 116.39 3k8x n ARG 1814Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 3k8x n ARG 1814Cb 0.63 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.08 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 2.22 -1.08 -4.79 6.15 5.03 -1.26 -5.00 115.26 116.53 3k8x n ASN 1815Ca 0.23 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.34 3k8x n ASN 1815Cb 0.04 -0.83 -0.00 0.00 -1.02 0.00 0.00 39.78 37.97 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 -0.33 3.43 0.64 3.52 -1.94 -0.71 -5.02 119.30 118.89 3k8x s MET 1816Ca 0.00 1.37 -0.17 0.00 -1.71 0.00 0.00 55.69 55.17 3k8x s MET 1816Cb 0.00 -2.04 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 3k8x s MET 1816CO 0.00 -0.74 0.94 -2.30 -0.01 0.00 0.00 175.02 172.91 3k8x n PRO 1817N -1.56 0.74 -1.77 2.03 -0.02 -1.26 -4.81 135.00 128.36 3k8x n PRO 1817Ca 0.10 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 3k8x n PRO 1817Cb 0.52 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3k8x n PRO 1817CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k8x n VAL 1818N -2.00 2.74 -2.66 -1.45 0.24 -1.26 -4.65 118.33 109.28 3k8x n VAL 1818Ca 0.14 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 3k8x n VAL 1818Cb 0.48 -1.87 -0.03 0.00 -1.47 0.00 0.00 33.84 30.95 3k8x n VAL 1818CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3k8x s PRO 1819N -2.43 3.45 0.21 7.34 0.04 -1.26 -4.93 135.00 137.42 3k8x s PRO 1819Ca 0.60 0.07 -0.32 0.00 0.04 0.00 0.00 61.00 61.40 3k8x s PRO 1819Cb -0.45 -4.03 -0.12 0.00 0.04 0.00 0.00 34.50 29.94 3k8x s PRO 1819CO 0.58 -1.64 1.72 0.42 0.04 0.00 0.00 177.00 178.12 3k8x s ILE 1820N 4.67 2.02 -0.39 0.56 -1.09 -1.26 -4.46 121.20 121.26 3k8x s ILE 1820Ca 0.39 0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 3k8x s ILE 1820Cb -0.09 -3.01 0.14 0.00 -1.58 0.00 0.00 42.46 37.92 3k8x s ILE 1820CO 0.23 0.00 0.25 -0.22 -1.23 0.00 0.00 174.94 173.97 3k8x s LEU 1821N 1.13 1.50 0.12 2.97 2.96 0.14 -4.83 118.68 122.67 3k8x s LEU 1821Ca 0.74 -2.47 -0.31 0.00 -0.22 0.00 0.00 54.13 51.87 3k8x s LEU 1821Cb -0.50 -0.56 -0.08 0.00 0.50 0.00 0.00 46.19 45.55 3k8x s LEU 1821CO 0.32 -0.27 1.42 -1.61 -1.32 0.00 0.00 176.35 174.89 3k8x s GLU 1822N 0.69 4.30 0.00 1.98 2.02 -1.26 -4.19 118.70 122.24 3k8x s GLU 1822Ca 0.21 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.32 3k8x s GLU 1822Cb -0.18 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.82 3k8x s GLU 1822CO -0.03 -0.46 0.00 0.25 0.02 0.00 0.00 175.26 175.03 3k8x n THR 1823N 3.94 0.00 0.26 3.63 -2.24 -1.26 -5.02 114.28 113.60 3k8x n THR 1823Ca 0.12 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 3k8x n THR 1823Cb 0.42 -0.32 0.33 0.00 -2.10 0.00 0.00 70.33 68.66 3k8x n THR 1823CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3k8x h LYS 1824N 0.00 0.00 -4.83 -0.78 3.11 -1.95 -3.39 116.57 108.72 3k8x h LYS 1824Ca 0.00 0.00 -0.70 0.00 -2.81 0.00 0.00 60.65 57.14 3k8x h LYS 1824Cb 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 32.23 31.04 3k8x h LYS 1824CO 0.00 0.00 0.42 0.34 -2.81 0.00 0.00 179.45 177.40 3k8x s ASP 1825N -5.94 6.39 0.65 4.20 3.68 -1.26 -5.04 116.67 119.36 3k8x s ASP 1825Ca 0.06 -1.69 -0.02 0.00 2.13 0.00 0.00 52.55 53.03 3k8x s ASP 1825Cb 0.07 -2.34 0.07 0.00 -1.45 0.00 0.00 42.92 39.26 3k8x s ASP 1825CO 0.63 -1.10 0.91 0.42 0.13 0.00 0.00 175.17 176.16 3k8x s THR 1826N 2.64 2.40 0.33 1.71 -4.23 -1.26 -4.66 115.64 112.58 3k8x s THR 1826Ca 0.21 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 3k8x s THR 1826Cb -0.15 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.06 3k8x s THR 1826CO 0.00 0.00 1.97 4.11 -0.54 0.00 0.00 174.62 180.17 3k8x h TRP 1827N -0.31 0.83 -1.76 3.99 5.08 -1.95 -3.39 115.95 118.43 3k8x h TRP 1827Ca -0.41 0.00 -0.72 0.00 1.08 0.00 0.00 58.89 58.84 3k8x h TRP 1827Cb 1.29 -0.27 -0.15 0.00 -3.00 0.00 0.00 29.16 27.03 3k8x h TRP 1827CO 0.15 0.55 1.64 -3.47 -1.28 0.00 0.00 178.44 176.03 3k8x n ASP 1828N -4.40 5.13 -3.52 0.11 4.64 -1.26 -4.32 116.55 112.92 3k8x n ASP 1828Ca 0.06 -2.97 -0.11 0.00 -1.38 0.00 0.00 54.79 50.39 3k8x n ASP 1828Cb 0.07 -1.61 -0.03 0.00 -1.04 0.00 0.00 41.12 38.51 3k8x n ASP 1828CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3k8x s ARG 1829N 2.22 1.25 0.74 -0.67 1.70 -1.26 -5.14 118.95 117.80 3k8x s ARG 1829Ca 0.46 -0.59 -0.12 0.00 -0.47 0.00 0.00 55.73 55.01 3k8x s ARG 1829Cb -0.00 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.97 3k8x s ARG 1829CO 0.02 -0.53 1.12 -1.25 -1.08 0.00 0.00 175.30 173.58 3k8x s PRO 1830N -3.78 2.53 -0.23 3.89 0.04 -1.26 -4.49 135.00 131.70 3k8x s PRO 1830Ca 0.03 0.38 -0.21 0.00 0.04 0.00 0.00 61.00 61.23 3k8x s PRO 1830Cb -0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3k8x s PRO 1830CO -0.11 -1.25 0.67 0.08 0.04 0.00 0.00 177.00 176.43 3k8x s VAL 1831N -3.40 4.97 0.00 -0.36 1.01 -0.10 -4.94 120.40 117.58 3k8x s VAL 1831Ca 0.59 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3k8x s VAL 1831Cb -0.11 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3k8x s VAL 1831CO 0.51 0.04 0.21 0.47 0.00 0.00 0.00 175.10 176.34 3k8x n ASP 1832N 5.50 0.00 -4.67 3.32 10.43 -0.47 -4.57 116.55 126.09 3k8x n ASP 1832Ca 0.00 0.49 -0.48 0.00 2.57 0.00 0.00 54.79 57.37 3k8x n ASP 1832Cb 0.49 -0.36 -0.05 0.00 1.84 0.00 0.00 41.12 43.04 3k8x n ASP 1832CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3k8x n PHE 1833N -1.59 2.21 -4.16 1.24 7.35 -0.63 -4.94 117.46 116.93 3k8x n PHE 1833Ca 0.00 0.22 -0.20 0.00 -0.76 0.00 0.00 57.45 56.71 3k8x n PHE 1833Cb 0.00 -2.56 -0.16 0.00 0.35 0.00 0.00 39.48 37.10 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 2.18 0.52 0.76 -2.13 2.01 -1.26 -4.85 115.64 112.86 3k8x s THR 1834Ca 0.86 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.63 3k8x s THR 1834Cb -0.73 -0.55 0.04 0.00 0.01 0.00 0.00 72.50 71.27 3k8x s THR 1834CO 0.45 0.22 1.09 -2.16 -0.69 0.00 0.00 174.62 173.53 3k8x s PRO 1835N 0.91 2.44 0.03 4.92 0.04 -1.26 -5.09 135.00 136.99 3k8x s PRO 1835Ca -0.11 0.65 0.04 0.00 0.04 0.00 0.00 61.00 61.61 3k8x s PRO 1835Cb -0.14 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3k8x s PRO 1835CO 0.00 -1.37 -0.11 0.99 0.04 0.00 0.00 177.00 176.54 3k8x s THR 1836N -3.19 0.87 0.49 1.26 2.01 -1.26 -4.78 115.64 111.04 3k8x s THR 1836Ca 0.60 -0.85 0.19 0.00 0.31 0.00 0.00 61.69 61.94 3k8x s THR 1836Cb -0.13 -0.81 0.36 0.00 0.01 0.00 0.00 72.50 71.92 3k8x s THR 1836CO 0.54 -0.03 2.00 0.78 -0.69 0.00 0.00 174.62 177.21 3k8x h ASN 1837N 5.09 0.17 0.07 3.53 2.35 -1.98 -3.14 115.58 121.67 3k8x h ASN 1837Ca -0.36 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3k8x h ASN 1837Cb 1.19 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3k8x h ASN 1837CO 0.45 0.10 -0.04 0.44 -1.65 0.00 0.00 177.43 176.73 3k8x h ASP 1838N 0.18 -0.08 -2.79 5.81 3.32 -2.03 -3.45 116.42 117.37 3k8x h ASP 1838Ca 0.25 -0.47 -0.65 0.00 0.02 0.00 0.00 57.03 56.18 3k8x h ASP 1838Cb 0.73 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.24 3k8x h ASP 1838CO -0.04 0.47 -0.38 -1.61 -1.72 0.00 0.00 179.24 175.96 3k8x s GLU 1839N -3.83 3.61 0.47 3.56 2.02 -1.19 -5.08 118.70 118.26 3k8x s GLU 1839Ca -0.15 0.05 -0.22 0.00 0.02 0.00 0.00 54.97 54.67 3k8x s GLU 1839Cb 0.01 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 30.98 3k8x s GLU 1839CO 0.61 0.74 1.10 0.95 0.02 0.00 0.00 175.26 178.67 3k8x s THR 1840N -1.08 3.45 0.16 3.63 -4.23 -1.26 -4.48 115.64 111.82 3k8x s THR 1840Ca 0.19 1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3k8x s THR 1840Cb -0.14 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3k8x s THR 1840CO 0.08 -0.10 0.05 -0.72 -0.54 0.00 0.00 174.62 173.39 3k8x s TYR 1841N -1.74 1.03 -0.30 3.99 -0.85 -1.26 -5.04 117.35 113.18 3k8x s TYR 1841Ca 0.65 -1.18 -0.10 0.00 -0.52 0.00 0.00 57.07 55.92 3k8x s TYR 1841Cb -0.23 -0.58 -0.03 0.00 0.38 0.00 0.00 41.96 41.51 3k8x s TYR 1841CO 0.27 -0.42 0.17 0.34 -1.52 0.00 0.00 175.55 174.39 3k8x s ASP 1842N -3.11 5.75 0.49 -0.18 -1.08 -1.26 -4.58 116.67 112.70 3k8x s ASP 1842Ca 0.26 -0.27 0.34 0.00 -0.52 0.00 0.00 52.55 52.35 3k8x s ASP 1842Cb 0.07 -2.06 1.46 0.00 -1.46 0.00 0.00 42.92 40.93 3k8x s ASP 1842CO 0.04 -0.13 1.72 -0.37 0.52 0.00 0.00 175.17 176.95 3k8x h VAL 1843N 5.50 0.30 -0.63 1.11 -1.51 -1.99 0.16 116.25 119.19 3k8x h VAL 1843Ca -0.34 -0.04 0.12 0.00 -1.23 0.00 0.00 66.70 65.21 3k8x h VAL 1843Cb 1.17 0.19 -0.04 0.00 -2.13 0.00 0.00 31.29 30.48 3k8x h VAL 1843CO 0.59 0.02 0.42 0.03 -1.23 0.00 0.00 177.57 177.40 3k8x h ARG 1844N 0.10 0.35 -0.63 5.19 3.08 -1.94 -0.00 114.38 120.54 3k8x h ARG 1844Ca 0.69 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.71 3k8x h ARG 1844Cb 2.44 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 32.38 3k8x h ARG 1844CO -0.16 0.23 0.36 -1.49 -1.07 0.00 0.00 179.97 177.84 3k8x h TRP 1845N 0.37 0.85 -0.14 3.04 6.55 -0.90 0.11 115.95 125.81 3k8x h TRP 1845Ca 0.30 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 60.08 3k8x h TRP 1845Cb 0.67 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.68 3k8x h TRP 1845CO -0.00 0.60 -0.11 0.52 -1.05 0.00 0.00 178.44 178.39 3k8x h MET 1846N 0.85 0.22 0.06 0.49 2.86 -1.13 -0.38 114.93 117.89 3k8x h MET 1846Ca 0.22 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3k8x h MET 1846Cb 0.02 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3k8x h MET 1846CO -0.04 0.35 -0.03 0.82 1.06 0.00 0.00 176.91 179.07 3k8x h ILE 1847N 0.22 0.88 -0.00 -1.22 2.04 -0.52 0.26 117.51 119.16 3k8x h ILE 1847Ca 0.05 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3k8x h ILE 1847Cb 0.34 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3k8x h ILE 1847CO 0.02 0.28 -0.05 -1.84 0.00 0.00 0.00 178.15 176.55 3k8x n GLU 1848N -4.77 1.17 0.00 2.37 0.28 0.28 -0.87 120.64 119.10 3k8x n GLU 1848Ca -0.06 -0.60 0.00 0.00 -0.16 0.00 0.00 57.16 56.34 3k8x n GLU 1848Cb 0.25 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.12 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 0.49 -0.15 3.10 -1.84 0.00 -0.15 -4.22 105.19 102.41 3k8x n GLY 1849Ca 0.02 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 3k8x n GLY 1849CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k8x s ARG 1850N -2.13 0.75 -0.05 1.61 1.70 0.70 -4.46 118.95 117.07 3k8x s ARG 1850Ca 0.00 -0.72 -0.30 0.00 -0.47 0.00 0.00 55.73 54.25 3k8x s ARG 1850Cb 0.00 -0.69 -0.03 0.00 -0.57 0.00 0.00 34.95 33.66 3k8x s ARG 1850CO 0.00 0.16 1.07 -2.00 -1.08 0.00 0.00 175.30 173.45 3k8x s GLU 1851N -1.21 4.44 0.22 3.89 2.56 -1.26 -0.08 118.70 127.26 3k8x s GLU 1851Ca -0.02 1.51 0.04 0.00 0.00 0.00 0.00 54.97 56.50 3k8x s GLU 1851Cb -0.08 -3.50 -0.05 0.00 2.00 0.00 0.00 34.13 32.50 3k8x s GLU 1851CO 0.01 -0.27 -0.01 0.99 -0.56 0.00 0.00 175.26 175.42 3k8x s THR 1852N 1.70 1.05 0.21 -1.70 2.01 -0.65 -4.95 115.64 113.31 3k8x s THR 1852Ca 0.52 -2.04 -0.09 0.00 0.31 0.00 0.00 61.69 60.39 3k8x s THR 1852Cb -0.22 -2.31 0.15 0.00 0.01 0.00 0.00 72.50 70.13 3k8x s THR 1852CO 0.23 -0.36 1.75 -0.33 -0.69 0.00 0.00 174.62 175.22 3k8x h GLU 1853N 2.49 0.43 0.00 4.92 4.39 -2.03 -1.45 114.58 123.34 3k8x h GLU 1853Ca -0.38 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3k8x h GLU 1853Cb 1.22 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3k8x h GLU 1853CO 0.64 0.28 0.00 0.43 -1.16 0.00 0.00 179.01 179.21 3k8x n SER 1854N -4.97 0.22 0.00 1.42 7.64 -1.26 -4.99 113.62 111.67 3k8x n SER 1854Ca 0.09 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.52 3k8x n SER 1854Cb 0.27 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3k8x n SER 1854CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k8x n GLY 1855N 0.04 0.78 3.71 0.23 0.00 -0.54 -5.07 105.19 104.33 3k8x n GLY 1855Ca 0.03 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.97 3.64 -0.36 1.61 5.36 -1.26 -1.64 117.98 124.36 3k8x s PHE 1856Ca 0.00 1.59 -0.16 0.00 -0.96 0.00 0.00 56.93 57.40 3k8x s PHE 1856Cb 0.00 -3.04 -0.00 0.00 -0.34 0.00 0.00 43.02 39.63 3k8x s PHE 1856CO 0.00 0.01 0.40 -1.21 -1.46 0.00 0.00 175.22 172.96 3k8x s GLU 1857N 0.97 3.47 0.37 10.12 2.02 0.88 -4.96 118.70 131.58 3k8x s GLU 1857Ca 0.48 -0.45 -0.26 0.00 0.02 0.00 0.00 54.97 54.76 3k8x s GLU 1857Cb -0.20 -3.84 -0.09 0.00 0.10 0.00 0.00 34.13 30.10 3k8x s GLU 1857CO 0.25 -0.61 1.21 0.71 0.02 0.00 0.00 175.26 176.84 3k8x s TYR 1858N 2.10 3.08 0.00 1.61 1.51 -1.26 -0.22 117.35 124.17 3k8x s TYR 1858Ca 0.13 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.71 3k8x s TYR 1858Cb -0.16 -3.49 0.00 0.00 -0.11 0.00 0.00 41.96 38.20 3k8x s TYR 1858CO 0.12 -1.47 0.00 0.41 -1.11 0.00 0.00 175.55 173.50 3k8x n GLY 1859N 0.74 1.85 0.24 0.71 0.00 -1.26 -1.36 105.19 106.10 3k8x n GLY 1859Ca 0.03 -2.09 -0.07 0.00 0.00 0.00 0.00 46.02 43.89 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 0.70-10.22 0.99 5.85 -0.86 -3.44 115.31 108.33 3k8x h LEU 1860Ca 0.00 -0.10 -0.46 0.00 0.84 0.00 0.00 57.88 58.15 3k8x h LEU 1860Cb 0.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3k8x h LEU 1860CO 0.00 0.61 -0.37 -0.36 -0.34 0.00 0.00 178.44 177.98 3k8x s PHE 1861N -5.81 2.93 0.25 1.25 0.40 -0.05 -4.72 117.98 112.23 3k8x s PHE 1861Ca -0.13 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.57 3k8x s PHE 1861Cb 0.12 -2.02 -0.14 0.00 0.51 0.00 0.00 43.02 41.50 3k8x s PHE 1861CO 0.77 -0.03 1.29 -0.25 0.70 0.00 0.00 175.22 177.70 3k8x n ASP 1862N -1.57 2.32 -4.66 1.36 9.92 -0.05 -4.70 116.55 119.17 3k8x n ASP 1862Ca 0.01 1.16 -0.47 0.00 -0.53 0.00 0.00 54.79 54.96 3k8x n ASP 1862Cb 0.59 -1.38 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 3k8x n ASP 1862CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3k8x n LYS 1863N 1.53 2.00 -0.98 -1.24 4.81 -1.26 -2.10 118.16 120.92 3k8x n LYS 1863Ca 0.11 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3k8x n LYS 1863Cb 0.31 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.88 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 3.38 0.90 0.21 3.14 0.00 -1.26 -4.93 105.19 106.63 3k8x n GLY 1864Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.01 1.12 -4.68 1.61 3.41 -0.89 -4.89 113.62 109.29 3k8x n SER 1865Ca 0.00 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.29 3k8x n SER 1865Cb 0.00 0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.67 3.48 -0.39 7.33 5.99 -1.26 -3.98 117.98 126.48 3k8x s PHE 1866Ca 0.18 1.54 0.03 0.00 0.00 0.00 0.00 56.93 58.68 3k8x s PHE 1866Cb 0.18 -3.17 0.11 0.00 0.00 0.00 0.00 43.02 40.14 3k8x s PHE 1866CO 0.62 -0.25 0.13 0.12 -0.00 0.00 0.00 175.22 175.83 3k8x s PHE 1867N 2.16 3.25 0.36 10.12 5.36 0.38 -4.98 117.98 134.63 3k8x s PHE 1867Ca 0.46 -2.88 -0.25 0.00 -0.96 0.00 0.00 56.93 53.30 3k8x s PHE 1867Cb -0.18 -2.69 -0.09 0.00 -0.34 0.00 0.00 43.02 39.72 3k8x s PHE 1867CO 0.16 -0.87 1.02 -2.00 -1.46 0.00 0.00 175.22 172.07 3k8x s GLU 1868N 0.60 4.37 0.14 10.12 2.12 -1.26 -0.99 118.70 133.79 3k8x s GLU 1868Ca 0.13 1.48 0.02 0.00 0.36 0.00 0.00 54.97 56.96 3k8x s GLU 1868Cb -0.21 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 3k8x s GLU 1868CO -0.07 0.05 -0.04 0.95 -0.54 0.00 0.00 175.26 175.61 3k8x s THR 1869N -1.59 0.75 -1.54 -1.70 -4.23 -0.10 -4.78 115.64 102.46 3k8x s THR 1869Ca 0.54 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3k8x s THR 1869Cb -0.22 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.75 3k8x s THR 1869CO 0.28 -0.69 0.49 0.18 -0.54 0.00 0.00 174.62 174.34 3k8x n LEU 1870N -0.15 -2.38 0.00 4.79 4.77 0.11 -4.41 117.00 119.73 3k8x n LEU 1870Ca -0.10 -0.25 0.09 0.00 -0.03 0.00 0.00 56.01 55.73 3k8x n LEU 1870Cb 0.62 -2.84 0.43 0.00 -2.33 0.00 0.00 43.42 39.30 3k8x n LEU 1870CO 0.32 0.15 0.79 -1.54 -1.33 0.00 0.00 177.39 175.78 3k8x n SER 1871N -2.40 0.00 0.01 -1.43 3.41 -1.23 -2.94 113.62 109.03 3k8x n SER 1871Ca -0.12 0.28 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3k8x n SER 1871Cb 0.62 -0.40 0.15 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.35 -1.21 2.98 5.00 0.00 -1.26 -4.92 105.19 106.13 3k8x n GLY 1872Ca 0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.03 0.58 -1.05 1.61 -0.00 -1.15 -4.15 118.94 111.75 3k8x s TRP 1873Ca 0.09 -0.11 -0.17 0.00 -0.00 0.00 0.00 56.10 55.92 3k8x s TRP 1873Cb 0.17 -0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.26 3k8x s TRP 1873CO 0.74 -0.01 0.75 0.00 -0.00 0.00 0.00 176.95 178.43 3k8x n ALA 1874N 2.93 -2.59 1.19 5.86 0.00 -1.26 -4.81 120.51 121.83 3k8x n ALA 1874Ca -0.13 -0.24 0.11 0.00 0.00 0.00 0.00 53.44 53.18 3k8x n ALA 1874Cb 0.58 -3.26 0.61 0.00 0.00 0.00 0.00 19.45 17.38 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 -3.74 0.44 0.10 0.00 5.02 -1.26 -2.57 118.16 116.16 3k8x n LYS 1875Ca -0.11 0.05 0.19 0.00 -2.02 0.00 0.00 58.31 56.42 3k8x n LYS 1875Cb 0.59 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.86 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 3.73 0.00 -4.05 0.72 0.00 -1.89 -3.42 103.07 98.16 3k8x h GLY 1876Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 3k8x h GLY 1876CO 0.00 0.00 -0.87 0.54 0.00 0.00 0.00 176.54 176.21 3k8x s VAL 1877N -4.73 2.28 -0.11 4.60 0.11 -1.06 -0.71 120.40 120.76 3k8x s VAL 1877Ca -0.05 -1.63 0.03 0.00 -2.93 0.00 0.00 61.98 57.41 3k8x s VAL 1877Cb 0.17 -1.97 0.01 0.00 -1.53 0.00 0.00 36.38 33.05 3k8x s VAL 1877CO 0.60 0.18 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.65 3k8x s VAL 1878N -0.99 1.85 -0.05 2.04 1.01 0.76 -4.84 120.40 120.18 3k8x s VAL 1878Ca 0.14 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3k8x s VAL 1878Cb -0.10 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3k8x s VAL 1878CO 0.05 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.87 3k8x s VAL 1879N 0.70 0.95 0.07 2.92 1.01 -1.26 -0.72 120.40 124.07 3k8x s VAL 1879Ca -0.11 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3k8x s VAL 1879Cb -0.16 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3k8x s VAL 1879CO 0.02 0.31 0.46 0.61 0.00 0.00 0.00 175.10 176.50 3k8x n GLY 1880N 3.76 0.94 3.91 4.51 0.00 -0.68 -0.92 105.19 116.72 3k8x n GLY 1880Ca -0.23 -1.01 -0.31 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 -2.02 3.49 0.20 1.61 1.81 -0.16 -0.23 118.95 123.65 3k8x s ARG 1881Ca 0.10 -0.34 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 3k8x s ARG 1881Cb -0.01 -2.99 -0.00 0.00 -0.45 0.00 0.00 34.95 31.49 3k8x s ARG 1881CO 0.02 0.58 0.25 0.00 -0.68 0.00 0.00 175.30 175.47 3k8x n ALA 1882N 0.27 -0.02 -2.64 2.13 0.00 -0.58 -0.47 120.51 119.20 3k8x n ALA 1882Ca -0.05 -1.01 -0.20 0.00 0.00 0.00 0.00 53.44 52.18 3k8x n ALA 1882Cb 0.51 0.82 -0.14 0.00 0.00 0.00 0.00 19.45 20.64 3k8x n ALA 1882CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k8x s ARG 1883N -2.56 0.93 -0.33 0.00 0.52 -1.26 -1.47 118.95 114.78 3k8x s ARG 1883Ca 0.19 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 3k8x s ARG 1883Cb -0.00 -0.91 0.10 0.00 0.52 0.00 0.00 34.95 34.66 3k8x s ARG 1883CO 0.14 0.24 0.05 -1.17 0.02 0.00 0.00 175.30 174.57 3k8x s LEU 1884N -0.74 4.46 -1.69 2.53 2.96 0.20 -0.88 118.68 125.53 3k8x s LEU 1884Ca 0.03 -2.08 0.00 0.00 -0.22 0.00 0.00 54.13 51.86 3k8x s LEU 1884Cb -0.06 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.08 3k8x s LEU 1884CO 0.00 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 3k8x n GLY 1885N 4.32 0.90 0.56 7.98 0.00 -1.26 -2.12 105.19 115.58 3k8x n GLY 1885Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.92 0.57 3.63 -0.02 0.00 -1.26 -4.59 105.19 102.60 3k8x n GLY 1886Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.21 4.76 0.48 -0.61 1.01 -0.90 0.26 121.20 123.99 3k8x s ILE 1887Ca 0.00 1.43 -0.21 0.00 0.00 0.00 0.00 60.65 61.86 3k8x s ILE 1887Cb 0.00 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 3k8x s ILE 1887CO 0.00 -0.23 1.07 -2.16 0.00 0.00 0.00 174.94 173.62 3k8x s PRO 1888N 3.04 3.78 0.20 2.79 0.04 -1.26 -0.62 135.00 142.96 3k8x s PRO 1888Ca 0.36 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 3k8x s PRO 1888Cb -0.14 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.25 3k8x s PRO 1888CO 0.11 -0.46 0.61 -0.48 0.04 0.00 0.00 177.00 176.81 3k8x s LEU 1889N -3.34 -0.30 0.21 -3.56 2.34 -0.54 -4.60 118.68 108.89 3k8x s LEU 1889Ca 0.66 -0.28 -0.11 0.00 0.06 0.00 0.00 54.13 54.46 3k8x s LEU 1889Cb -0.20 2.50 -0.07 0.00 -0.56 0.00 0.00 46.19 47.86 3k8x s LEU 1889CO 0.24 -1.08 0.56 -0.83 -1.06 0.00 0.00 176.35 174.18 3k8x s GLY 1890N -2.82 2.33 -0.05 -3.48 0.00 0.25 -1.52 107.32 102.03 3k8x s GLY 1890Ca 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3k8x s GLY 1890CO -0.05 -0.04 -0.09 0.14 0.00 0.00 0.00 173.10 173.06 3k8x s VAL 1891N -1.73 0.87 -0.10 1.40 1.01 0.68 -0.99 120.40 121.54 3k8x s VAL 1891Ca 0.45 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3k8x s VAL 1891Cb -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.46 3k8x s VAL 1891CO 0.20 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 3k8x s ILE 1892N 0.61 1.72 0.27 2.22 1.01 -0.10 -1.69 121.20 125.24 3k8x s ILE 1892Ca -0.11 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.78 3k8x s ILE 1892Cb -0.14 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 3k8x s ILE 1892CO 0.02 0.48 -0.01 -0.83 0.00 0.00 0.00 174.94 174.61 3k8x s GLY 1893N 0.59 1.75 -0.18 6.18 0.00 0.11 -0.19 107.32 115.57 3k8x s GLY 1893Ca -0.14 -1.87 -0.03 0.00 0.00 0.00 0.00 44.72 42.67 3k8x s GLY 1893CO 0.05 -1.75 -0.05 0.14 0.00 0.00 0.00 173.10 171.49 3k8x s VAL 1894N -3.27 3.55 -0.28 1.40 1.01 -1.26 -0.17 120.40 121.38 3k8x s VAL 1894Ca 0.31 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 3k8x s VAL 1894Cb 0.06 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3k8x s VAL 1894CO 0.11 0.46 1.42 -0.70 0.00 0.00 0.00 175.10 176.39 3k8x s GLU 1895N 0.90 3.85 0.37 2.72 2.56 0.11 -4.63 118.70 124.57 3k8x s GLU 1895Ca -0.01 1.37 0.20 0.00 0.00 0.00 0.00 54.97 56.53 3k8x s GLU 1895Cb -0.15 -3.94 0.32 0.00 2.00 0.00 0.00 34.13 32.36 3k8x s GLU 1895CO 0.01 -1.21 1.57 1.79 -0.56 0.00 0.00 175.26 176.87 3k8x h THR 1896N 6.06 0.46 -3.86 -1.70 1.35 -1.86 -3.12 112.91 110.23 3k8x h THR 1896Ca -0.29 -1.55 -0.47 0.00 -0.55 0.00 0.00 66.41 63.55 3k8x h THR 1896Cb 1.12 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.66 3k8x h THR 1896CO 1.03 0.25 0.19 -0.13 -0.25 0.00 0.00 175.52 176.61 3k8x s ARG 1897N -3.16 4.08 0.27 4.72 0.52 -1.26 -4.12 118.95 119.99 3k8x s ARG 1897Ca 0.05 0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 3k8x s ARG 1897Cb 0.07 -2.33 -0.10 0.00 0.52 0.00 0.00 34.95 33.11 3k8x s ARG 1897CO 0.70 0.07 1.40 0.99 0.02 0.00 0.00 175.30 178.48 3k8x s THR 1898N -2.08 2.71 -0.17 0.02 2.01 -1.26 -4.17 115.64 112.70 3k8x s THR 1898Ca 0.57 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 63.11 3k8x s THR 1898Cb -0.10 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 3k8x s THR 1898CO 0.16 0.11 0.13 -0.69 -0.69 0.00 0.00 174.62 173.65 3k8x s VAL 1899N -0.29 5.43 -0.41 3.82 1.01 0.56 -4.95 120.40 125.56 3k8x s VAL 1899Ca 0.56 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 3k8x s VAL 1899Cb -0.41 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.61 3k8x s VAL 1899CO 0.46 0.51 0.26 -1.61 0.00 0.00 0.00 175.10 174.72 3k8x s GLU 1900N -0.20 2.66 -0.54 2.72 0.41 -1.26 -0.46 118.70 122.03 3k8x s GLU 1900Ca 0.11 -1.40 -0.16 0.00 -0.41 0.00 0.00 54.97 53.11 3k8x s GLU 1900Cb -0.11 -3.79 0.13 0.00 -1.78 0.00 0.00 34.13 28.57 3k8x s GLU 1900CO 0.00 -0.92 0.51 1.21 -0.49 0.00 0.00 175.26 175.57 3k8x s ASN 1901N 2.06 6.20 -0.55 -0.19 2.47 0.73 -4.92 114.94 120.73 3k8x s ASN 1901Ca 0.03 -1.79 -0.24 0.00 0.42 0.00 0.00 52.86 51.28 3k8x s ASN 1901Cb -0.22 -2.21 0.04 0.00 -1.45 0.00 0.00 41.25 37.41 3k8x s ASN 1901CO 0.03 -0.86 0.91 -0.22 -3.72 0.00 0.00 177.10 173.24 3k8x s LEU 1902N 1.61 4.20 -0.25 3.21 2.96 -1.26 -1.01 118.68 128.14 3k8x s LEU 1902Ca 0.03 -0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 53.31 3k8x s LEU 1902Cb -0.30 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 3k8x s LEU 1902CO 0.03 -1.20 0.66 -0.63 -1.32 0.00 0.00 176.35 173.89 3k8x s ILE 1903N 3.82 4.97 0.98 6.68 -1.09 0.77 -4.99 121.20 132.33 3k8x s ILE 1903Ca 0.29 1.20 -0.12 0.00 -2.23 0.00 0.00 60.65 59.78 3k8x s ILE 1903Cb -0.13 -3.96 0.18 0.00 -1.58 0.00 0.00 42.46 36.96 3k8x s ILE 1903CO 0.18 0.02 1.09 -2.16 -1.23 0.00 0.00 174.94 172.84 3k8x s PRO 1904N 2.48 0.59 0.32 2.79 0.04 -1.26 -1.17 135.00 138.79 3k8x s PRO 1904Ca 0.28 0.72 -0.27 0.00 0.04 0.00 0.00 61.00 61.76 3k8x s PRO 1904Cb -0.15 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 3k8x s PRO 1904CO 0.08 -2.67 1.04 0.00 0.04 0.00 0.00 177.00 175.50 3k8x s ALA 1905N -2.87 3.27 -0.35 8.56 0.00 -1.26 -4.61 121.76 124.50 3k8x s ALA 1905Ca 0.65 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 3k8x s ALA 1905Cb -0.19 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3k8x s ALA 1905CO 0.58 -0.09 1.34 0.34 0.00 0.00 0.00 175.76 177.93 3k8x s ASP 1906N -1.23 6.55 0.18 0.00 3.68 -1.26 -4.94 116.67 119.64 3k8x s ASP 1906Ca 0.49 1.05 0.22 0.00 2.13 0.00 0.00 52.55 56.44 3k8x s ASP 1906Cb -0.26 -2.54 0.89 0.00 -1.45 0.00 0.00 42.92 39.55 3k8x s ASP 1906CO 0.33 -1.21 1.67 -2.65 0.13 0.00 0.00 175.17 173.44 3k8x n PRO 1907N 7.61 0.15 0.00 4.34 -0.02 -1.26 -2.02 135.00 143.79 3k8x n PRO 1907Ca 0.15 0.33 0.15 0.00 -2.02 0.00 0.00 63.50 62.11 3k8x n PRO 1907Cb 0.47 -1.75 0.74 0.00 -0.02 0.00 0.00 33.50 32.94 3k8x n PRO 1907CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k8x n ALA 1908N -1.70 2.50 -3.99 3.55 0.00 -1.26 -4.65 120.51 114.97 3k8x n ALA 1908Ca 0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 3k8x n ALA 1908Cb 0.25 -1.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.59 3.02 0.20 0.00 2.47 -0.86 -5.03 114.94 112.16 3k8x s ASN 1909Ca 0.28 -0.69 0.06 0.00 0.42 0.00 0.00 52.86 52.92 3k8x s ASN 1909Cb 0.20 -1.15 0.11 0.00 -1.45 0.00 0.00 41.25 38.96 3k8x s ASN 1909CO 0.47 -0.12 1.46 -0.65 -3.72 0.00 0.00 177.10 174.54 3k8x h PRO 1910N 8.03 0.11 -1.51 0.43 0.11 -1.82 -2.88 132.00 134.47 3k8x h PRO 1910Ca -0.31 -0.11 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 3k8x h PRO 1910Cb 1.11 0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 3k8x h PRO 1910CO 0.48 0.83 0.27 0.09 -0.21 0.00 0.00 178.00 179.46 3k8x n ASN 1911N -3.69 5.42 -4.29 -2.05 5.03 -1.26 -4.83 115.26 109.58 3k8x n ASN 1911Ca -0.02 -2.78 -0.32 0.00 0.87 0.00 0.00 54.58 52.33 3k8x n ASN 1911Cb 0.74 -0.97 -0.16 0.00 -1.02 0.00 0.00 39.78 38.37 3k8x n ASN 1911CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3k8x s SER 1912N 0.62 3.49 0.07 6.41 0.15 -1.09 -5.13 113.70 118.22 3k8x s SER 1912Ca 0.21 -0.45 0.07 0.00 0.70 0.00 0.00 55.95 56.47 3k8x s SER 1912Cb 0.16 -1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.02 3k8x s SER 1912CO 0.01 0.18 -0.18 0.00 1.20 0.00 0.00 173.24 174.44 3k8x s ALA 1913N 0.26 1.51 0.10 5.45 0.00 -1.26 -4.74 121.76 123.09 3k8x s ALA 1913Ca -0.13 -1.05 -0.35 0.00 0.00 0.00 0.00 51.96 50.43 3k8x s ALA 1913Cb -0.17 -0.22 -0.15 0.00 0.00 0.00 0.00 23.12 22.58 3k8x s ALA 1913CO 0.07 0.30 1.54 -1.91 0.00 0.00 0.00 175.76 175.76 3k8x n GLU 1914N 1.52 1.84 -4.38 0.00 2.13 -1.26 -4.65 120.64 115.84 3k8x n GLU 1914Ca -0.19 0.66 -0.31 0.00 0.66 0.00 0.00 57.16 57.98 3k8x n GLU 1914Cb 0.54 -2.40 -0.10 0.00 0.27 0.00 0.00 31.44 29.75 3k8x n GLU 1914CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3k8x s THR 1915N 1.15 3.60 -0.22 6.31 -4.23 -0.32 -4.93 115.64 117.00 3k8x s THR 1915Ca 0.82 -0.92 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 3k8x s THR 1915Cb -0.77 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.44 3k8x s THR 1915CO 0.42 0.30 -0.00 -0.22 -0.54 0.00 0.00 174.62 174.58 3k8x s LEU 1916N -1.70 3.17 -0.16 4.79 2.96 -1.26 -0.16 118.68 126.31 3k8x s LEU 1916Ca 0.19 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 3k8x s LEU 1916Cb -0.11 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3k8x s LEU 1916CO 0.10 0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.50 3k8x s ILE 1917N 1.28 4.04 -0.19 6.68 1.01 -0.18 -4.93 121.20 128.90 3k8x s ILE 1917Ca 0.04 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 3k8x s ILE 1917Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3k8x s ILE 1917CO 0.01 0.48 0.64 -1.10 0.00 0.00 0.00 174.94 174.96 3k8x s GLN 1918N 0.44 4.22 -0.37 2.79 -1.52 -1.26 -0.20 119.66 123.76 3k8x s GLN 1918Ca -0.02 0.64 -0.00 0.00 -1.95 0.00 0.00 55.36 54.02 3k8x s GLN 1918Cb -0.14 -3.58 0.10 0.00 -0.22 0.00 0.00 33.01 29.17 3k8x s GLN 1918CO 0.02 -0.24 0.12 -1.21 -0.25 0.00 0.00 175.29 173.74 3k8x s GLU 1919N 1.90 1.87 0.48 2.91 2.02 0.39 -4.99 118.70 123.28 3k8x s GLU 1919Ca 0.29 -1.77 -0.24 0.00 0.02 0.00 0.00 54.97 53.27 3k8x s GLU 1919Cb -0.16 -3.39 -0.08 0.00 0.10 0.00 0.00 34.13 30.60 3k8x s GLU 1919CO 0.10 -0.97 1.38 -0.35 0.02 0.00 0.00 175.26 175.45 3k8x n PRO 1920N 4.47 2.03 -1.41 0.39 -0.04 -1.26 -0.32 135.00 138.86 3k8x n PRO 1920Ca -0.01 0.73 -0.34 0.00 -0.04 0.00 0.00 63.50 63.84 3k8x n PRO 1920Cb 0.42 -2.58 0.10 0.00 -0.04 0.00 0.00 33.50 31.40 3k8x n PRO 1920CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3k8x s GLY 1921N -0.61 2.32 -2.16 0.55 0.00 -1.26 -3.52 107.32 102.63 3k8x s GLY 1921Ca 0.64 0.86 0.00 0.00 0.00 0.00 0.00 44.72 46.22 3k8x s GLY 1921CO 0.55 1.27 0.00 -1.06 0.00 0.00 0.00 173.10 173.86 3k8x n GLN 1922N -2.78 -1.47 -4.98 2.90 6.02 -1.18 -4.90 117.38 110.99 3k8x n GLN 1922Ca 0.13 1.21 -0.29 0.00 -0.01 0.00 0.00 57.00 58.04 3k8x n GLN 1922Cb 0.50 -5.62 -0.17 0.00 1.02 0.00 0.00 30.24 25.97 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 -2.81 1.68 -0.18 5.09 1.01 -1.23 0.10 120.40 124.07 3k8x s VAL 1923Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 3k8x s VAL 1923Cb 0.00 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 3k8x s VAL 1923CO 0.00 0.48 0.96 0.26 0.00 0.00 0.00 175.10 176.79 3k8x s TRP 1924N 0.26 3.41 0.41 5.22 0.51 -0.59 -4.90 118.94 123.27 3k8x s TRP 1924Ca -0.12 1.43 0.08 0.00 -2.12 0.00 0.00 56.10 55.37 3k8x s TRP 1924Cb -0.15 -3.16 -0.01 0.00 -0.81 0.00 0.00 33.47 29.34 3k8x s TRP 1924CO 0.05 -0.33 0.43 -1.01 -0.51 0.00 0.00 176.95 175.58 3k8x s HIS 1925N 2.52 2.77 0.26 -1.98 3.76 -1.26 -0.76 115.29 120.60 3k8x s HIS 1925Ca 0.43 -0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 3k8x s HIS 1925Cb -0.16 -2.20 0.55 0.00 1.11 0.00 0.00 32.58 31.87 3k8x s HIS 1925CO 0.12 -0.18 1.64 -1.35 -0.85 0.00 0.00 174.74 174.11 3k8x h PRO 1926N 0.93 0.14 -0.29 8.40 0.11 -1.87 0.12 132.00 139.54 3k8x h PRO 1926Ca -0.41 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3k8x h PRO 1926Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3k8x h PRO 1926CO 0.54 0.09 0.02 -2.95 -0.21 0.00 0.00 178.00 175.49 3k8x h ASN 1927N 0.15 0.49 1.24 -2.05 7.08 -1.96 -0.95 115.58 119.58 3k8x h ASN 1927Ca 0.47 -0.29 -0.14 0.00 -3.08 0.00 0.00 56.30 53.26 3k8x h ASN 1927Cb 0.88 -0.13 -0.02 0.00 -2.08 0.00 0.00 38.32 36.97 3k8x h ASN 1927CO -0.67 0.66 -0.64 0.77 -2.08 0.00 0.00 177.43 175.47 3k8x h SER 1928N 0.30 0.00 -0.44 6.14 4.64 -1.64 -0.69 113.55 121.86 3k8x h SER 1928Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3k8x h SER 1928Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3k8x h SER 1928CO 0.01 0.64 0.15 0.00 -0.87 0.00 0.00 176.83 176.76 3k8x h ALA 1929N 1.36 0.57 -0.41 5.18 0.00 -0.71 -1.69 119.26 123.55 3k8x h ALA 1929Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3k8x h ALA 1929Cb 1.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3k8x h ALA 1929CO 0.08 0.21 0.25 0.35 0.00 0.00 0.00 179.25 180.14 3k8x h PHE 1930N 0.56 0.54 -0.85 0.00 -0.00 -0.87 -1.42 116.94 114.90 3k8x h PHE 1930Ca 0.14 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.08 3k8x h PHE 1930Cb 0.24 -0.18 -0.04 0.00 -0.00 0.00 0.00 35.95 35.98 3k8x h PHE 1930CO 0.01 0.38 0.40 -0.22 -0.00 0.00 0.00 178.31 178.88 3k8x h LYS 1931N 0.54 1.22 -0.59 1.11 3.64 -1.10 0.11 116.57 121.50 3k8x h LYS 1931Ca 0.15 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3k8x h LYS 1931Cb -0.00 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3k8x h LYS 1931CO -0.03 0.94 0.20 1.15 -2.27 0.00 0.00 179.45 179.44 3k8x h THR 1932N 1.21 1.24 -0.43 1.00 2.02 -0.89 -0.63 112.91 116.43 3k8x h THR 1932Ca 0.29 -0.80 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 3k8x h THR 1932Cb 0.13 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3k8x h THR 1932CO -0.04 0.30 -0.05 0.00 0.37 0.00 0.00 175.52 176.10 3k8x h ALA 1933N 1.06 0.59 -0.07 6.16 0.00 -0.62 -1.49 119.26 124.89 3k8x h ALA 1933Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3k8x h ALA 1933Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k8x h ALA 1933CO -0.01 0.42 -0.01 0.37 0.00 0.00 0.00 179.25 180.03 3k8x h GLN 1934N 0.63 0.01 -0.24 0.00 5.75 -0.62 -0.19 115.11 120.44 3k8x h GLN 1934Ca 0.12 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.66 3k8x h GLN 1934Cb 0.57 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 3k8x h GLN 1934CO 0.03 0.01 -0.00 0.00 -2.65 0.00 0.00 178.83 176.22 3k8x h ALA 1935N 1.06 0.21 -0.22 3.38 0.00 -0.98 0.20 119.26 122.92 3k8x h ALA 1935Ca 0.03 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3k8x h ALA 1935Cb 0.04 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3k8x h ALA 1935CO -0.06 -0.42 -0.08 0.82 0.00 0.00 0.00 179.25 179.51 3k8x h ILE 1936N 0.07 0.73 -0.67 0.00 2.04 -0.97 0.22 117.51 118.92 3k8x h ILE 1936Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3k8x h ILE 1936Cb 0.15 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3k8x h ILE 1936CO -0.20 0.00 0.36 0.78 0.00 0.00 0.00 178.15 179.10 3k8x h ASN 1937N -0.04 0.52 0.93 1.72 2.35 -0.57 -2.03 115.58 118.47 3k8x h ASN 1937Ca 0.11 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3k8x h ASN 1937Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3k8x h ASN 1937CO -0.24 0.33 -0.44 0.44 -1.65 0.00 0.00 177.43 175.87 3k8x h ASP 1938N 0.66 0.00 0.01 5.81 3.32 0.12 -1.16 116.42 125.18 3k8x h ASP 1938Ca 0.31 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.19 3k8x h ASP 1938Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3k8x h ASP 1938CO -0.20 0.44 -0.59 -0.26 -1.72 0.00 0.00 179.24 176.90 3k8x h PHE 1939N 0.00 0.75 0.06 4.55 0.05 -0.81 -3.38 116.94 118.16 3k8x h PHE 1939Ca -0.00 -0.28 -0.00 0.00 3.82 0.00 0.00 57.97 61.50 3k8x h PHE 1939Cb 1.02 -0.14 0.00 0.00 2.00 0.00 0.00 35.95 38.83 3k8x h PHE 1939CO 0.00 1.04 -0.03 -0.97 -0.18 0.00 0.00 178.31 178.17 3k8x h ASN 1940N 0.44 -0.07 -3.40 2.17 -1.24 -0.95 -0.73 115.58 111.81 3k8x h ASN 1940Ca -0.00 -0.54 -0.54 0.00 0.71 0.00 0.00 56.30 55.92 3k8x h ASN 1940Cb 1.16 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.20 3k8x h ASN 1940CO 0.11 0.63 0.36 0.20 -1.29 0.00 0.00 177.43 177.44 3k8x s ASN 1941N -5.77 7.33 0.00 1.15 -0.87 -0.48 -2.88 114.94 113.42 3k8x s ASN 1941Ca -0.13 1.61 0.00 0.00 -1.57 0.00 0.00 52.86 52.77 3k8x s ASN 1941Cb -0.01 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 3k8x s ASN 1941CO 0.50 -0.26 0.00 0.61 -2.57 0.00 0.00 177.10 175.38 3k8x n GLY 1942N 2.93 1.11 0.28 0.66 0.00 -1.26 -4.34 105.19 104.57 3k8x n GLY 1942Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 0.72 -6.15 1.61 5.08 -1.73 -3.35 114.58 110.76 3k8x h GLU 1943Ca 0.00 -0.19 -0.45 0.00 -1.00 0.00 0.00 59.36 57.72 3k8x h GLU 1943Cb 0.00 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.19 3k8x h GLU 1943CO 0.00 0.75 -0.75 1.04 -1.00 0.00 0.00 179.01 179.05 3k8x n GLN 1944N -4.21 -6.12 -3.50 2.33 6.02 -0.69 -4.25 117.38 106.97 3k8x n GLN 1944Ca 0.02 0.67 -0.30 0.00 -0.01 0.00 0.00 57.00 57.37 3k8x n GLN 1944Cb 0.30 -5.57 -0.04 0.00 1.02 0.00 0.00 30.24 25.95 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 -7.20 4.17 0.97 1.08 1.43 -0.37 -4.87 118.68 113.89 3k8x s LEU 1945Ca 0.55 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.24 3k8x s LEU 1945Cb -0.27 -3.48 0.17 0.00 0.03 0.00 0.00 46.19 42.64 3k8x s LEU 1945CO 0.80 -0.07 1.11 -2.16 0.23 0.00 0.00 176.35 176.26 3k8x s PRO 1946N -3.02 0.68 -0.02 1.29 0.04 -1.26 -4.63 135.00 128.08 3k8x s PRO 1946Ca 0.44 0.42 -0.03 0.00 0.04 0.00 0.00 61.00 61.87 3k8x s PRO 1946Cb -0.11 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3k8x s PRO 1946CO 0.25 -2.54 0.07 1.41 0.04 0.00 0.00 177.00 176.23 3k8x s MET 1947N -5.08 0.15 -0.12 4.56 1.75 -0.79 -0.58 119.30 119.19 3k8x s MET 1947Ca 0.65 -0.02 0.02 0.00 -1.25 0.00 0.00 55.69 55.09 3k8x s MET 1947Cb -0.17 0.07 -0.01 0.00 2.84 0.00 0.00 34.83 37.56 3k8x s MET 1947CO 0.56 -0.02 -0.18 1.41 -0.65 0.00 0.00 175.02 176.13 3k8x s MET 1948N -0.25 3.23 -0.29 4.11 1.75 -0.16 -0.57 119.30 127.11 3k8x s MET 1948Ca -0.03 -0.78 -0.06 0.00 -1.25 0.00 0.00 55.69 53.57 3k8x s MET 1948Cb -0.02 -2.48 0.01 0.00 2.84 0.00 0.00 34.83 35.18 3k8x s MET 1948CO 0.00 0.19 0.07 0.42 -0.65 0.00 0.00 175.02 175.05 3k8x s ILE 1949N 0.36 3.81 -1.34 10.11 1.01 0.15 -0.92 121.20 134.38 3k8x s ILE 1949Ca -0.14 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 3k8x s ILE 1949Cb -0.17 -2.99 0.08 0.00 0.01 0.00 0.00 42.46 39.39 3k8x s ILE 1949CO 0.07 0.06 1.87 0.18 0.00 0.00 0.00 174.94 177.12 3k8x n LEU 1950N 4.83 5.64 -4.67 2.97 4.77 0.74 -1.33 117.00 129.94 3k8x n LEU 1950Ca -0.14 -4.08 -0.42 0.00 -0.03 0.00 0.00 56.01 51.33 3k8x n LEU 1950Cb 0.47 -1.70 -0.03 0.00 -2.33 0.00 0.00 43.42 39.84 3k8x n LEU 1950CO 0.31 0.56 1.14 0.00 -1.33 0.00 0.00 177.39 178.06 3k8x s ALA 1951N 3.46 3.60 -0.39 -1.18 0.00 -0.94 -4.22 121.76 122.09 3k8x s ALA 1951Ca 0.50 0.74 0.11 0.00 0.00 0.00 0.00 51.96 53.31 3k8x s ALA 1951Cb 0.07 -3.62 0.39 0.00 0.00 0.00 0.00 23.12 19.95 3k8x s ALA 1951CO 0.02 -1.06 1.13 -1.71 0.00 0.00 0.00 175.76 174.14 3k8x n ASN 1952N 6.05 -0.80 -4.62 0.00 5.15 -1.25 -4.18 115.26 115.61 3k8x n ASN 1952Ca 0.14 -2.83 -0.33 0.00 -0.60 0.00 0.00 54.58 50.97 3k8x n ASN 1952Cb 0.44 0.60 -0.10 0.00 -0.53 0.00 0.00 39.78 40.19 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 -0.96 2.96 -0.67 1.20 0.51 -0.88 -4.63 118.94 116.47 3k8x s TRP 1953Ca 0.25 0.01 0.24 0.00 -2.12 0.00 0.00 56.10 54.49 3k8x s TRP 1953Cb 0.39 -1.65 0.30 0.00 -0.81 0.00 0.00 33.47 31.70 3k8x s TRP 1953CO -0.05 0.39 1.27 0.54 -0.51 0.00 0.00 176.95 178.59 3k8x n ARG 1954N 1.66 0.26 0.00 4.98 1.74 0.29 -2.52 116.66 123.07 3k8x n ARG 1954Ca -0.16 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3k8x n ARG 1954Cb 0.53 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.36 0.01 3.82 -0.13 0.00 -1.24 -4.44 105.19 104.57 3k8x n GLY 1955Ca 0.03 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.68 3.51 0.17 1.61 0.40 -1.26 -1.54 117.98 119.19 3k8x s PHE 1956Ca 0.00 1.40 -0.31 0.00 -0.60 0.00 0.00 56.93 57.43 3k8x s PHE 1956Cb 0.00 -2.66 -0.09 0.00 0.51 0.00 0.00 43.02 40.79 3k8x s PHE 1956CO 0.00 0.18 1.37 0.45 0.70 0.00 0.00 175.22 177.91 3k8x s SER 1957N -1.94 6.82 0.00 1.36 0.15 0.06 -4.86 113.70 115.30 3k8x s SER 1957Ca 0.50 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.57 3k8x s SER 1957Cb -0.14 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3k8x s SER 1957CO 0.19 -0.61 0.89 0.61 1.20 0.00 0.00 173.24 175.52 3k8x n GLY 1958N 2.86 1.94 3.76 9.45 0.00 -1.26 -4.57 105.19 117.37 3k8x n GLY 1958Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.80 1.64 0.13 -0.02 0.00 -1.26 -4.76 107.32 102.24 3k8x s GLY 1959Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 43.70 3k8x s GLY 1959CO 0.00 -0.13 1.72 -1.61 0.00 0.00 0.00 173.10 173.08 3k8x h GLN 1960N -1.91 0.50 0.04 2.90 4.15 -1.99 -1.72 115.11 117.09 3k8x h GLN 1960Ca -0.47 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 58.88 3k8x h GLN 1960Cb 1.29 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 3k8x h GLN 1960CO 0.46 0.44 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.68 3k8x h ARG 1961N 0.44 -0.07 -0.17 1.69 2.43 -1.98 0.13 114.38 116.84 3k8x h ARG 1961Ca 0.12 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3k8x h ARG 1961Cb 0.10 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3k8x h ARG 1961CO -0.02 -0.05 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.51 3k8x h ASP 1962N -0.08 0.43 -0.18 -3.80 3.32 -1.88 0.66 116.42 114.89 3k8x h ASP 1962Ca -0.00 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 3k8x h ASP 1962Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3k8x h ASP 1962CO -0.00 0.81 -0.07 0.24 -1.72 0.00 0.00 179.24 178.51 3k8x h MET 1963N 0.33 0.37 -0.81 3.56 2.86 -1.18 -1.58 114.93 118.48 3k8x h MET 1963Ca 0.02 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3k8x h MET 1963Cb 0.91 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.50 3k8x h MET 1963CO 0.08 0.66 0.51 0.35 1.06 0.00 0.00 176.91 179.56 3k8x h PHE 1964N 0.07 0.95 -0.05 -0.22 3.57 -0.54 -1.21 116.94 119.51 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 0.53 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3k8x h PHE 1964CO 0.06 0.53 0.00 0.09 -2.23 0.00 0.00 178.31 176.76 3k8x n ASN 1965N -4.61 1.33 -0.57 0.41 3.02 0.20 -4.88 115.26 110.16 3k8x n ASN 1965Ca 0.10 -2.08 -0.04 0.00 -0.03 0.00 0.00 54.58 52.53 3k8x n ASN 1965Cb 0.11 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 3k8x n ASN 1965CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k8x n GLU 1966N 0.02 -0.53 -0.26 3.52 1.02 -0.46 -4.82 120.64 119.14 3k8x n GLU 1966Ca 0.03 0.19 0.21 0.00 -0.02 0.00 0.00 57.16 57.56 3k8x n GLU 1966Cb 0.31 -3.78 0.54 0.00 -0.02 0.00 0.00 31.44 28.48 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 -0.09 0.63 -1.00 2.62 3.04 -1.46 -0.35 116.25 119.64 3k8x h VAL 1967Ca -0.10 -0.12 0.09 0.00 -1.01 0.00 0.00 66.70 65.56 3k8x h VAL 1967Cb 1.07 0.24 -0.08 0.00 -2.01 0.00 0.00 31.29 30.51 3k8x h VAL 1967CO 0.11 0.07 0.64 -0.07 -1.01 0.00 0.00 177.57 177.31 3k8x h LEU 1968N 0.36 0.98 -0.22 3.16 4.07 -1.87 -0.22 115.31 121.56 3k8x h LEU 1968Ca 0.49 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.43 3k8x h LEU 1968Cb 1.32 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 3k8x h LEU 1968CO -0.18 0.57 -0.09 0.11 -1.08 0.00 0.00 178.44 177.77 3k8x h LYS 1969N 1.08 0.44 -0.22 1.13 1.57 -1.45 -2.49 116.57 116.62 3k8x h LYS 1969Ca 0.47 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.90 3k8x h LYS 1969Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3k8x h LYS 1969CO -0.22 0.71 -0.51 1.88 -0.57 0.00 0.00 179.45 180.73 3k8x h TYR 1970N 0.15 0.78 -0.77 -1.35 -1.99 -1.32 -2.39 116.97 110.08 3k8x h TYR 1970Ca 0.05 -0.27 0.01 0.00 2.00 0.00 0.00 58.73 60.52 3k8x h TYR 1970Cb 0.56 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.10 3k8x h TYR 1970CO 0.06 1.01 0.51 0.78 -0.00 0.00 0.00 178.16 180.52 3k8x h GLY 1971N 0.99 1.09 1.37 3.88 0.00 -1.12 -2.61 103.07 106.66 3k8x h GLY 1971Ca 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3k8x h GLY 1971CO 0.10 0.40 0.25 1.76 0.00 0.00 0.00 176.54 179.06 3k8x h SER 1972N 1.05 0.74 -0.83 0.19 0.02 -1.22 -2.00 113.55 111.49 3k8x h SER 1972Ca 0.28 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.27 3k8x h SER 1972Cb -0.12 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.17 3k8x h SER 1972CO -0.06 0.65 0.54 -0.26 -1.14 0.00 0.00 176.83 176.56 3k8x h PHE 1973N 0.81 0.78 -0.20 3.45 0.05 -1.04 -1.96 116.94 118.84 3k8x h PHE 1973Ca 0.20 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.01 3k8x h PHE 1973Cb 0.12 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 3k8x h PHE 1973CO 0.01 0.34 0.12 0.82 -0.18 0.00 0.00 178.31 179.42 3k8x h ILE 1974N 0.71 1.04 -0.26 -0.55 2.04 -1.31 0.83 117.51 120.00 3k8x h ILE 1974Ca 0.40 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 66.21 3k8x h ILE 1974Cb 0.56 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3k8x h ILE 1974CO -0.16 0.05 0.00 0.58 0.00 0.00 0.00 178.15 178.62 3k8x h VAL 1975N 0.25 0.82 -0.83 1.67 2.07 -1.40 -0.90 116.25 117.94 3k8x h VAL 1975Ca 0.07 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3k8x h VAL 1975Cb -0.02 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3k8x h VAL 1975CO -0.03 0.02 0.54 0.44 0.02 0.00 0.00 177.57 178.56 3k8x h ASP 1976N 0.09 0.96 -0.73 0.57 3.45 -0.97 0.83 116.42 120.62 3k8x h ASP 1976Ca 0.12 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.50 3k8x h ASP 1976Cb 0.16 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 3k8x h ASP 1976CO -0.20 0.70 0.25 0.00 -1.57 0.00 0.00 179.24 178.42 3k8x h ALA 1977N 1.30 1.05 -0.26 3.45 0.00 -0.30 -2.63 119.26 121.86 3k8x h ALA 1977Ca 0.30 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3k8x h ALA 1977Cb -0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3k8x h ALA 1977CO -0.06 0.65 -0.33 -0.07 0.00 0.00 0.00 179.25 179.44 3k8x h LEU 1978N 1.09 0.74 -1.19 0.00 3.38 -0.56 -2.90 115.31 115.87 3k8x h LEU 1978Ca 0.24 -0.50 0.24 0.00 0.09 0.00 0.00 57.88 57.95 3k8x h LEU 1978Cb 0.27 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 3k8x h LEU 1978CO -0.01 1.09 0.63 0.58 0.09 0.00 0.00 178.44 180.82 3k8x h VAL 1979N 0.41 0.58 -0.00 1.22 2.07 -0.69 -2.26 116.25 117.58 3k8x h VAL 1979Ca 0.03 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3k8x h VAL 1979Cb 0.91 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3k8x h VAL 1979CO 0.08 0.10 -0.18 -0.67 0.02 0.00 0.00 177.57 176.92 3k8x n ASP 1980N -4.72 0.37 -4.74 0.57 4.64 -1.01 -4.93 116.55 106.73 3k8x n ASP 1980Ca 0.25 -0.23 -0.41 0.00 -1.38 0.00 0.00 54.79 53.02 3k8x n ASP 1980Cb 0.76 -0.10 -0.04 0.00 -1.04 0.00 0.00 41.12 40.70 3k8x n ASP 1980CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3k8x s TYR 1981N -2.74 3.52 -0.74 -0.67 5.04 -0.85 -4.96 117.35 115.96 3k8x s TYR 1981Ca 0.21 1.54 0.06 0.00 -2.44 0.00 0.00 57.07 56.44 3k8x s TYR 1981Cb 0.19 -3.34 0.07 0.00 0.35 0.00 0.00 41.96 39.23 3k8x s TYR 1981CO 0.54 -0.84 0.77 1.63 -1.34 0.00 0.00 175.55 176.31 3k8x n LYS 1982N 2.27 0.34 -4.44 4.97 4.76 -1.26 -4.91 118.16 119.90 3k8x n LYS 1982Ca 0.03 -1.02 -0.22 0.00 -2.87 0.00 0.00 58.31 54.23 3k8x n LYS 1982Cb 0.45 -1.12 -0.10 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.59 1.57 0.27 1.97 1.11 -1.26 -5.09 119.66 117.63 3k8x s GLN 1983Ca 0.08 -1.77 -0.30 0.00 0.01 0.00 0.00 55.36 53.39 3k8x s GLN 1983Cb 0.05 -1.34 -0.14 0.00 -1.01 0.00 0.00 33.01 30.57 3k8x s GLN 1983CO 0.08 0.13 1.17 -2.30 0.01 0.00 0.00 175.29 174.39 3k8x n PRO 1984N -0.58 1.60 -5.21 2.91 -0.02 -1.26 -4.80 135.00 127.63 3k8x n PRO 1984Ca -0.06 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 3k8x n PRO 1984Cb 0.62 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.70 2.00 -0.21 4.25 1.01 0.13 -1.88 121.20 125.80 3k8x s ILE 1985Ca 0.63 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 3k8x s ILE 1985Cb -0.69 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.08 3k8x s ILE 1985CO 0.57 0.55 -0.10 -0.63 0.00 0.00 0.00 174.94 175.33 3k8x s ILE 1986N 0.01 2.80 -0.21 2.92 1.01 0.26 -1.17 121.20 126.82 3k8x s ILE 1986Ca -0.08 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 3k8x s ILE 1986Cb -0.15 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 3k8x s ILE 1986CO 0.05 0.42 0.15 -0.63 0.00 0.00 0.00 174.94 174.93 3k8x s ILE 1987N 1.38 5.39 -0.18 2.92 -1.09 0.34 -0.68 121.20 129.29 3k8x s ILE 1987Ca 0.04 0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.63 3k8x s ILE 1987Cb -0.14 -3.49 0.06 0.00 -1.58 0.00 0.00 42.46 37.31 3k8x s ILE 1987CO -0.07 0.42 0.06 -0.47 -1.23 0.00 0.00 174.94 173.65 3k8x s TYR 1988N 0.51 0.63 -0.36 3.97 6.04 -0.44 0.38 117.35 128.08 3k8x s TYR 1988Ca 0.08 -0.59 -0.29 0.00 0.04 0.00 0.00 57.07 56.31 3k8x s TYR 1988Cb -0.12 -0.87 0.01 0.00 -1.04 0.00 0.00 41.96 39.95 3k8x s TYR 1988CO -0.00 -0.56 1.30 0.42 -1.54 0.00 0.00 175.55 175.17 3k8x s ILE 1989N 1.99 4.10 1.06 3.14 1.01 -0.40 -2.21 121.20 129.89 3k8x s ILE 1989Ca 0.00 1.20 -0.16 0.00 0.00 0.00 0.00 60.65 61.69 3k8x s ILE 1989Cb -0.16 -4.25 0.22 0.00 0.01 0.00 0.00 42.46 38.28 3k8x s ILE 1989CO -0.08 -0.63 1.18 -2.16 0.00 0.00 0.00 174.94 173.25 3k8x s PRO 1990N 4.40 -0.06 0.20 2.79 0.04 -1.26 -0.70 135.00 140.40 3k8x s PRO 1990Ca 0.56 -0.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 3k8x s PRO 1990Cb -0.14 -1.73 0.23 0.00 0.04 0.00 0.00 34.50 32.89 3k8x s PRO 1990CO 0.26 -2.94 1.68 -1.00 0.04 0.00 0.00 177.00 175.05 3k8x h PRO 1991N -2.02 0.14 -0.66 0.56 0.13 -1.92 -0.59 132.00 127.63 3k8x h PRO 1991Ca -0.46 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3k8x h PRO 1991Cb 1.28 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 3k8x h PRO 1991CO 0.42 0.09 0.07 0.25 -0.23 0.00 0.00 178.00 178.61 3k8x n THR 1992N -5.22 2.59 -2.97 1.56 -2.24 -1.26 -3.58 114.28 103.17 3k8x n THR 1992Ca 0.07 -1.34 -0.18 0.00 -2.27 0.00 0.00 64.05 60.33 3k8x n THR 1992Cb 0.29 -0.33 0.02 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.75 1.91 0.12 3.38 0.00 -0.23 -4.94 107.32 106.81 3k8x s GLY 1993Ca 0.50 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 3k8x s GLY 1993CO 0.14 -1.46 0.30 -1.83 0.00 0.00 0.00 173.10 170.25 3k8x s GLU 1994N -4.43 1.01 -0.08 2.90 -1.05 -1.26 -1.36 118.70 114.43 3k8x s GLU 1994Ca 0.56 -0.90 -0.03 0.00 -0.15 0.00 0.00 54.97 54.45 3k8x s GLU 1994Cb -0.10 0.40 0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3k8x s GLU 1994CO 0.34 -0.37 0.10 -1.17 0.95 0.00 0.00 175.26 175.12 3k8x s LEU 1995N -2.86 0.10 0.05 1.83 2.96 -0.90 -2.07 118.68 117.79 3k8x s LEU 1995Ca 0.07 0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.09 3k8x s LEU 1995Cb 0.03 -0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.67 3k8x s LEU 1995CO -0.09 -0.27 -0.26 -0.13 -1.32 0.00 0.00 176.35 174.28 3k8x s ARG 1996N 2.21 1.78 0.05 1.98 1.81 -1.05 -3.51 118.95 122.22 3k8x s ARG 1996Ca 0.04 -1.11 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 3k8x s ARG 1996Cb -0.13 -1.96 0.00 0.00 -0.45 0.00 0.00 34.95 32.41 3k8x s ARG 1996CO -0.05 0.51 0.00 0.41 -0.68 0.00 0.00 175.30 175.49 3k8x n GLY 1997N 1.76 2.38 0.38 -3.53 0.00 -0.75 -0.78 105.19 104.65 3k8x n GLY 1997Ca -0.17 0.14 0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 2.00 -0.02 0.00 -1.91 -0.04 103.07 103.10 3k8x h GLY 1998Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3k8x h GLY 1998CO 0.00 0.00 -0.20 1.48 0.00 0.00 0.00 176.54 177.82 3k8x h SER 1999N 0.00 0.00 0.01 0.19 4.64 -1.28 -2.68 113.55 114.43 3k8x h SER 1999Ca 0.22 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.34 3k8x h SER 1999Cb 0.98 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3k8x h SER 1999CO -0.00 0.20 -0.80 -0.25 -0.87 0.00 0.00 176.83 175.11 3k8x h TRP 2000N 0.00 0.79 -0.30 4.77 2.91 -1.00 -3.36 115.95 119.75 3k8x h TRP 2000Ca -0.00 -0.43 0.07 0.00 1.13 0.00 0.00 58.89 59.65 3k8x h TRP 2000Cb 0.78 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.27 3k8x h TRP 2000CO 0.00 1.26 -0.18 0.28 -1.03 0.00 0.00 178.44 178.77 3k8x h VAL 2001N 0.09 0.48 0.00 2.65 2.07 -1.27 -1.30 116.25 118.97 3k8x h VAL 2001Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3k8x h VAL 2001Cb 1.49 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3k8x h VAL 2001CO 0.16 0.00 0.00 1.33 0.02 0.00 0.00 177.57 179.08 3k8x n VAL 2002N -5.35 1.17 -0.99 2.57 0.24 -1.15 -1.72 118.33 113.09 3k8x n VAL 2002Ca 0.00 0.29 0.06 0.00 -2.04 0.00 0.00 64.34 62.66 3k8x n VAL 2002Cb 0.26 -1.14 0.09 0.00 -1.47 0.00 0.00 33.84 31.58 3k8x n VAL 2002CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3k8x n VAL 2003N -1.42 1.37 -2.14 3.34 0.24 -0.56 -4.51 118.33 114.65 3k8x n VAL 2003Ca 0.03 -1.61 -0.41 0.00 -2.04 0.00 0.00 64.34 60.31 3k8x n VAL 2003Cb 0.09 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 3k8x n VAL 2003CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k8x s ASP 2004N -2.13 6.81 0.30 -1.34 2.15 -0.70 -4.86 116.67 116.89 3k8x s ASP 2004Ca 0.20 2.57 0.21 0.00 0.43 0.00 0.00 52.55 55.96 3k8x s ASP 2004Cb 0.17 -2.63 1.09 0.00 -0.30 0.00 0.00 42.92 41.26 3k8x s ASP 2004CO 0.02 -0.55 1.64 -0.81 -0.17 0.00 0.00 175.17 175.29 3k8x n PRO 2005N 1.76 0.14 0.10 4.34 -0.04 -1.26 -0.95 135.00 139.09 3k8x n PRO 2005Ca 0.03 0.60 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 3k8x n PRO 2005Cb 0.42 -1.92 0.40 0.00 -0.04 0.00 0.00 33.50 32.36 3k8x n PRO 2005CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3k8x n THR 2006N -2.22 0.55 -0.09 0.52 -1.04 -1.26 -1.99 114.28 108.76 3k8x n THR 2006Ca -0.01 -0.27 0.02 0.00 -2.04 0.00 0.00 64.05 61.75 3k8x n THR 2006Cb 0.06 -0.56 0.35 0.00 -1.82 0.00 0.00 70.33 68.36 3k8x n THR 2006CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3k8x h ILE 2007N 0.00 1.14 -1.42 12.58 2.04 -1.40 -3.38 117.51 127.08 3k8x h ILE 2007Ca 0.00 -0.27 -0.27 0.00 1.00 0.00 0.00 64.86 65.32 3k8x h ILE 2007Cb 0.73 0.34 -0.23 0.00 -0.74 0.00 0.00 36.82 36.92 3k8x h ILE 2007CO 0.00 0.14 -0.63 0.21 0.00 0.00 0.00 178.15 177.87 3k8x s ASN 2008N -6.56 -0.55 0.51 1.72 3.84 -0.92 -4.60 114.94 108.38 3k8x s ASN 2008Ca -0.09 -2.03 0.29 0.00 0.21 0.00 0.00 52.86 51.24 3k8x s ASN 2008Cb 0.17 1.21 1.23 0.00 -0.55 0.00 0.00 41.25 43.31 3k8x s ASN 2008CO 0.75 -0.10 1.94 0.00 -2.79 0.00 0.00 177.10 176.90 3k8x h ALA 2009N 5.40 1.04 -0.15 1.71 0.00 -1.59 0.42 119.26 126.10 3k8x h ALA 2009Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3k8x h ALA 2009Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3k8x h ALA 2009CO 0.12 0.13 -0.08 -0.44 0.00 0.00 0.00 179.25 178.99 3k8x h ASP 2010N 0.00 0.21 0.00 0.00 3.32 -1.95 -3.36 116.42 114.64 3k8x h ASP 2010Ca -0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3k8x h ASP 2010Cb 0.57 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3k8x h ASP 2010CO 0.01 0.33 -1.04 0.00 -1.72 0.00 0.00 179.24 176.82 3k8x n GLN 2011N -4.33 3.52 -3.32 3.56 1.13 -0.83 -4.99 117.38 112.12 3k8x n GLN 2011Ca -0.01 -0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.67 3k8x n GLN 2011Cb 0.23 -1.02 -0.06 0.00 0.11 0.00 0.00 30.24 29.50 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 -2.02 4.17 0.00 -1.09 -1.94 0.08 -0.70 119.30 117.81 3k8x s MET 2012Ca -0.00 0.63 0.03 0.00 -1.71 0.00 0.00 55.69 54.63 3k8x s MET 2012Cb 0.00 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 3k8x s MET 2012CO 0.03 0.55 -0.09 -1.21 -0.01 0.00 0.00 175.02 174.28 3k8x s GLU 2013N -0.73 0.69 -0.11 2.03 2.02 -0.32 -4.79 118.70 117.49 3k8x s GLU 2013Ca 0.28 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 3k8x s GLU 2013Cb -0.18 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.37 3k8x s GLU 2013CO 0.16 0.17 -0.07 1.41 0.02 0.00 0.00 175.26 176.96 3k8x s MET 2014N -0.42 3.17 0.06 1.61 -2.45 -1.26 -0.50 119.30 119.51 3k8x s MET 2014Ca 0.02 -0.55 0.05 0.00 -1.25 0.00 0.00 55.69 53.95 3k8x s MET 2014Cb -0.04 -2.71 -0.03 0.00 1.25 0.00 0.00 34.83 33.30 3k8x s MET 2014CO -0.00 0.45 -0.14 0.71 1.05 0.00 0.00 175.02 177.09 3k8x s TYR 2015N -0.23 1.24 -0.03 4.11 1.51 0.16 0.25 117.35 124.35 3k8x s TYR 2015Ca 0.03 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.73 3k8x s TYR 2015Cb -0.13 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 3k8x s TYR 2015CO 0.03 0.05 -0.17 0.00 -1.11 0.00 0.00 175.55 174.35 3k8x s ALA 2016N -1.07 1.47 0.47 3.71 0.00 -1.05 -1.27 121.76 124.01 3k8x s ALA 2016Ca -0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.04 3k8x s ALA 2016Cb -0.09 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.51 3k8x s ALA 2016CO 0.02 0.30 1.20 0.34 0.00 0.00 0.00 175.76 177.62 3k8x s ASP 2017N -0.10 6.03 0.53 0.00 2.15 0.12 -0.51 116.67 124.90 3k8x s ASP 2017Ca -0.00 2.39 0.23 0.00 0.43 0.00 0.00 52.55 55.60 3k8x s ASP 2017Cb -0.10 -2.61 1.39 0.00 -0.30 0.00 0.00 42.92 41.30 3k8x s ASP 2017CO 0.01 -1.02 2.04 1.62 -0.17 0.00 0.00 175.17 177.65 3k8x h VAL 2018N 1.83 0.78 -0.56 1.11 3.04 -0.75 0.28 116.25 121.99 3k8x h VAL 2018Ca -0.50 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.15 3k8x h VAL 2018Cb 1.26 0.80 -0.03 0.00 -2.01 0.00 0.00 31.29 31.31 3k8x h VAL 2018CO 0.60 0.00 0.06 0.59 -1.01 0.00 0.00 177.57 177.81 3k8x n ASN 2019N -4.37 5.11 -4.78 3.17 3.02 -1.26 -4.66 115.26 111.48 3k8x n ASN 2019Ca 0.06 -2.90 -0.23 0.00 -0.03 0.00 0.00 54.58 51.48 3k8x n ASN 2019Cb 0.47 -0.68 0.08 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.62 3.66 0.01 5.41 0.00 1.00 -4.25 121.76 124.97 3k8x s ALA 2020Ca 0.49 -1.49 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 3k8x s ALA 2020Cb 0.38 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 21.38 3k8x s ALA 2020CO 0.14 -1.25 0.19 0.50 0.00 0.00 0.00 175.76 175.34 3k8x s ARG 2021N -5.06 0.59 -0.20 0.00 3.52 -0.46 -4.38 118.95 112.96 3k8x s ARG 2021Ca 0.63 -0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 55.51 3k8x s ARG 2021Cb -0.07 0.25 0.10 0.00 -1.56 0.00 0.00 34.95 33.66 3k8x s ARG 2021CO 0.43 -0.16 0.88 0.00 -0.81 0.00 0.00 175.30 175.64 3k8x s ALA 2022N -1.78 -1.88 0.00 6.12 0.00 -0.59 -2.13 121.76 121.50 3k8x s ALA 2022Ca -0.11 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3k8x s ALA 2022Cb -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.19 3k8x s ALA 2022CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3k8x n GLY 2023N 1.66 -0.69 0.29 0.00 0.00 -1.23 -4.36 105.19 100.86 3k8x n GLY 2023Ca -0.14 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 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 0.76 1.25 -3.28 1.61 2.07 -1.93 -2.01 116.25 114.73 3k8x h VAL 2024Ca 0.00 -0.91 -0.50 0.00 0.82 0.00 0.00 66.70 66.10 3k8x h VAL 2024Cb 0.00 0.64 -0.18 0.00 -1.52 0.00 0.00 31.29 30.24 3k8x h VAL 2024CO 0.00 0.34 -0.77 -0.76 0.02 0.00 0.00 177.57 176.40 3k8x s LEU 2025N -9.58 2.45 0.79 2.57 1.43 -1.26 -2.42 118.68 112.66 3k8x s LEU 2025Ca -0.12 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 51.96 3k8x s LEU 2025Cb 0.13 -0.78 0.07 0.00 0.03 0.00 0.00 46.19 45.64 3k8x s LEU 2025CO 0.83 -0.06 1.22 -1.61 0.23 0.00 0.00 176.35 176.95 3k8x s GLU 2026N -2.87 1.74 0.24 1.70 2.02 -1.26 -4.77 118.70 115.50 3k8x s GLU 2026Ca 0.16 1.80 -0.05 0.00 0.02 0.00 0.00 54.97 56.90 3k8x s GLU 2026Cb -0.05 -1.78 0.44 0.00 0.10 0.00 0.00 34.13 32.84 3k8x s GLU 2026CO 0.06 -2.15 1.72 -1.35 0.02 0.00 0.00 175.26 173.56 3k8x h PRO 2027N -0.72 0.39 -0.22 0.39 0.11 -1.92 -0.45 132.00 129.57 3k8x h PRO 2027Ca -0.47 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3k8x h PRO 2027Cb 1.30 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3k8x h PRO 2027CO 0.47 0.26 -0.17 0.37 -0.21 0.00 0.00 178.00 178.71 3k8x h GLN 2028N 0.40 -0.17 -0.96 1.05 5.75 -1.92 0.29 115.11 119.54 3k8x h GLN 2028Ca 0.40 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.93 3k8x h GLN 2028Cb 0.62 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.16 3k8x h GLN 2028CO -0.42 -0.11 0.63 0.78 -2.65 0.00 0.00 178.83 177.06 3k8x h GLY 2029N -0.17 1.36 1.26 2.39 0.00 -1.77 -1.67 103.07 104.46 3k8x h GLY 2029Ca 0.13 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3k8x h GLY 2029CO -0.33 0.48 0.14 1.98 0.00 0.00 0.00 176.54 178.81 3k8x h MET 2030N 1.28 0.92 0.12 4.80 1.85 -0.15 -3.01 114.93 120.75 3k8x h MET 2030Ca 0.36 -0.20 -0.01 0.00 -0.61 0.00 0.00 59.70 59.24 3k8x h MET 2030Cb -0.12 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 31.78 3k8x h MET 2030CO -0.09 0.83 -0.06 0.28 -0.40 0.00 0.00 176.91 177.47 3k8x h VAL 2031N 0.88 1.03 0.00 -5.77 2.07 -0.14 -0.07 116.25 114.26 3k8x h VAL 2031Ca 0.19 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3k8x h VAL 2031Cb 0.32 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3k8x h VAL 2031CO 0.00 0.16 0.46 1.23 0.02 0.00 0.00 177.57 179.43 3k8x h GLY 2032N -0.48 0.00 0.00 2.17 0.00 -1.18 -1.38 103.07 102.20 3k8x h GLY 2032Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3k8x h GLY 2032CO 0.03 0.00 -1.39 1.39 0.00 0.00 0.00 176.54 176.57 3k8x n ILE 2033N -2.47 0.39 0.24 2.60 5.41 -1.14 -4.83 119.36 119.57 3k8x n ILE 2033Ca -0.01 -0.16 0.03 0.00 1.00 0.00 0.00 62.75 63.61 3k8x n ILE 2033Cb 0.48 -0.75 -0.04 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.65 4.41 -3.10 0.38 4.76 -0.05 -4.68 118.16 117.23 3k8x n LYS 2034Ca -0.12 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.10 3k8x n LYS 2034Cb 0.63 -0.83 -0.03 0.00 -1.84 0.00 0.00 35.03 32.96 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 -1.21 1.55 -3.62 2.13 -0.00 -0.55 -5.01 117.46 110.74 3k8x n PHE 2035Ca 0.01 -3.88 -0.37 0.00 -0.00 0.00 0.00 57.45 53.21 3k8x n PHE 2035Cb 0.10 -0.44 -0.07 0.00 -0.00 0.00 0.00 39.48 39.07 3k8x n PHE 2035CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3k8x s ARG 2036N -2.79 3.99 0.00 -4.13 1.70 -1.22 -4.67 118.95 111.82 3k8x s ARG 2036Ca 0.43 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.78 3k8x s ARG 2036Cb 0.32 -3.33 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 3k8x s ARG 2036CO -0.10 0.46 0.00 -2.13 -1.08 0.00 0.00 175.30 172.45 3k8x n ARG 2037N 2.83 0.00 -0.28 3.89 0.63 -1.26 -0.78 116.66 121.69 3k8x n ARG 2037Ca -0.14 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.78 3k8x n ARG 2037Cb 0.53 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.55 3k8x n ARG 2037CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3k8x h GLU 2038N 0.00 0.87 0.00 -0.14 4.81 -2.00 -1.00 114.58 117.12 3k8x h GLU 2038Ca 0.00 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 3k8x h GLU 2038Cb 0.00 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3k8x h GLU 2038CO 0.00 0.57 -0.60 -0.22 -0.73 0.00 0.00 179.01 178.03 3k8x h LYS 2039N 0.89 0.00 0.00 1.92 3.64 -1.30 -2.55 116.57 119.17 3k8x h LYS 2039Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3k8x h LYS 2039Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3k8x h LYS 2039CO -0.15 0.60 0.00 1.25 -2.27 0.00 0.00 179.45 178.88 3k8x h LEU 2040N 0.00 0.00 0.04 5.20 5.85 -1.54 -3.06 115.31 121.81 3k8x h LEU 2040Ca -0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 3k8x h LEU 2040Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3k8x h LEU 2040CO 0.08 0.00 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.51 3k8x h LEU 2041N 0.00 0.15 -2.33 2.25 3.38 -0.78 -3.19 115.31 114.79 3k8x h LEU 2041Ca 0.00 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.10 3k8x h LEU 2041Cb 0.46 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3k8x h LEU 2041CO 0.00 1.26 0.22 0.44 0.09 0.00 0.00 178.44 180.45 3k8x h ASP 2042N -0.78 0.00 0.08 -0.43 3.32 -1.50 -2.06 116.42 115.06 3k8x h ASP 2042Ca -0.14 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.69 3k8x h ASP 2042Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3k8x h ASP 2042CO -0.00 0.00 -1.17 0.74 -1.72 0.00 0.00 179.24 177.09 3k8x h THR 2043N 0.00 1.12 -0.87 0.35 2.02 -1.64 -2.90 112.91 111.00 3k8x h THR 2043Ca 0.01 -2.35 0.13 0.00 0.77 0.00 0.00 66.41 64.97 3k8x h THR 2043Cb 0.46 2.72 -0.07 0.00 -1.74 0.00 0.00 68.15 69.52 3k8x h THR 2043CO -0.00 0.61 0.57 0.24 0.37 0.00 0.00 175.52 177.31 3k8x h MET 2044N -0.54 0.70 -0.33 6.66 2.86 -1.45 -0.95 114.93 121.87 3k8x h MET 2044Ca -0.27 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 3k8x h MET 2044Cb 1.56 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 3k8x h MET 2044CO -0.00 0.46 0.13 -0.97 1.06 0.00 0.00 176.91 177.59 3k8x h ASN 2045N 0.72 0.47 1.45 1.22 -0.73 -1.47 0.16 115.58 117.39 3k8x h ASN 2045Ca 0.43 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 3k8x h ASN 2045Cb 0.64 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 3k8x h ASN 2045CO -0.19 0.51 -0.18 -0.09 -0.37 0.00 0.00 177.43 177.11 3k8x h ARG 2046N 0.39 0.00 0.00 6.67 9.65 -1.22 -3.39 114.38 126.47 3k8x h ARG 2046Ca 0.11 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.87 3k8x h ARG 2046Cb 0.20 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 3k8x h ARG 2046CO -0.01 0.18 -1.46 1.28 2.80 0.00 0.00 179.97 182.76 3k8x n LEU 2047N -3.20 0.00 -4.44 3.80 7.99 -0.40 -5.00 117.00 115.75 3k8x n LEU 2047Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.68 3k8x n LEU 2047Cb 0.52 0.16 -0.13 0.00 -0.11 0.00 0.00 43.42 43.87 3k8x n LEU 2047CO 0.34 0.16 -0.38 -0.62 -1.51 0.00 0.00 177.39 175.39 3k8x s ASP 2048N -3.81 4.54 0.07 -1.43 2.15 0.55 -5.04 116.67 113.70 3k8x s ASP 2048Ca -0.03 -0.22 -0.28 0.00 0.43 0.00 0.00 52.55 52.45 3k8x s ASP 2048Cb 0.02 -1.74 -0.17 0.00 -0.30 0.00 0.00 42.92 40.73 3k8x s ASP 2048CO 0.28 0.14 1.62 0.44 -0.17 0.00 0.00 175.17 177.48 3k8x h ASP 2049N 6.94 -0.37 -1.22 -0.34 3.32 -1.91 -2.96 116.42 119.88 3k8x h ASP 2049Ca -0.31 -0.02 0.45 0.00 0.02 0.00 0.00 57.03 57.17 3k8x h ASP 2049Cb 1.19 0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 3k8x h ASP 2049CO 0.60 -0.22 0.74 2.29 -1.72 0.00 0.00 179.24 180.93 3k8x n LYS 2050N -5.26 -0.04 -3.17 3.56 2.85 -1.26 -5.13 118.16 109.71 3k8x n LYS 2050Ca -0.10 1.28 -0.34 0.00 -1.05 0.00 0.00 58.31 58.10 3k8x n LYS 2050Cb 0.21 -2.43 -0.06 0.00 -0.65 0.00 0.00 35.03 32.10 3k8x n LYS 2050CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 3k8x s TYR 2051N -5.32 3.51 -0.34 5.58 5.04 -1.12 -5.19 117.35 119.51 3k8x s TYR 2051Ca -0.08 1.24 -0.01 0.00 -2.44 0.00 0.00 57.07 55.78 3k8x s TYR 2051Cb 0.32 -2.53 0.28 0.00 0.35 0.00 0.00 41.96 40.38 3k8x s TYR 2051CO 0.79 0.24 1.23 2.89 -1.34 0.00 0.00 175.55 179.36 3k8x n ARG 2080N 0.20 0.19 -2.92 4.97 1.85 -1.26 -4.83 116.66 114.85 3k8x n ARG 2080Ca 0.00 -0.79 -0.32 0.00 -1.00 0.00 0.00 57.85 55.74 3k8x n ARG 2080Cb 0.52 -0.32 -0.02 0.00 -1.05 0.00 0.00 32.46 31.58 3k8x n ARG 2080CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3k8x n GLU 2081N 1.39 3.88 0.00 2.89 0.00 -1.26 -4.48 120.64 123.06 3k8x n GLU 2081Ca 0.01 -4.77 0.01 0.00 0.00 0.00 0.00 57.16 52.41 3k8x n GLU 2081Cb 0.71 -2.33 -0.00 0.00 0.00 0.00 0.00 31.44 29.82 3k8x n GLU 2081CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3k8x n LEU 2082N 0.06 0.47 -0.34 4.31 -0.00 -1.26 -4.87 117.00 115.37 3k8x n LEU 2082Ca 0.35 -0.68 0.32 0.00 -0.00 0.00 0.00 56.01 56.00 3k8x n LEU 2082Cb 0.35 0.00 0.68 0.00 -0.00 0.00 0.00 43.42 44.45 3k8x n LEU 2082CO 0.43 0.11 1.29 0.25 -0.00 0.00 0.00 177.39 179.47 3k8x h LEU 2083N 0.14 0.14 -0.54 1.47 5.85 -1.99 -2.06 115.31 118.31 3k8x h LEU 2083Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3k8x h LEU 2083Cb 0.05 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3k8x h LEU 2083CO 0.00 0.01 0.17 -0.65 -0.34 0.00 0.00 178.44 177.63 3k8x h PRO 2084N 0.12 0.32 -0.01 5.25 0.11 -1.97 -2.18 132.00 133.64 3k8x h PRO 2084Ca 0.60 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.69 3k8x h PRO 2084Cb 2.10 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 33.14 3k8x h PRO 2084CO -0.11 0.21 -0.51 -0.89 -0.21 0.00 0.00 178.00 176.49 3k8x n ILE 2085N -5.04 0.00 0.10 4.15 2.08 -0.78 -2.74 119.36 117.13 3k8x n ILE 2085Ca 0.07 -0.12 0.03 0.00 0.56 0.00 0.00 62.75 63.29 3k8x n ILE 2085Cb 0.24 0.74 -0.01 0.00 -0.75 0.00 0.00 39.64 39.86 3k8x n ILE 2085CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 3k8x h TYR 2086N 1.14 0.00 -0.31 1.39 -1.99 -1.51 -2.68 116.97 113.01 3k8x h TYR 2086Ca 0.00 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 3k8x h TYR 2086Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 3k8x h TYR 2086CO 0.00 0.44 0.01 0.78 -0.00 0.00 0.00 178.16 179.39 3k8x h GLY 2087N 3.67 0.58 0.63 3.88 0.00 -1.40 -2.52 103.07 107.92 3k8x h GLY 2087Ca -0.06 -0.42 0.08 0.00 0.00 0.00 0.00 47.33 46.92 3k8x h GLY 2087CO 0.05 0.39 0.50 1.46 0.00 0.00 0.00 176.54 178.94 3k8x h GLN 2088N 0.34 0.86 -0.58 4.80 1.08 -1.56 -0.29 115.11 119.75 3k8x h GLN 2088Ca 0.09 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3k8x h GLN 2088Cb 0.43 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3k8x h GLN 2088CO 0.01 0.57 0.36 0.82 -0.95 0.00 0.00 178.83 179.64 3k8x h ILE 2089N 0.88 1.17 -0.89 2.54 5.03 -1.42 -1.17 117.51 123.65 3k8x h ILE 2089Ca 0.38 -0.37 -0.02 0.00 -0.12 0.00 0.00 64.86 64.73 3k8x h ILE 2089Cb 0.26 0.36 -0.04 0.00 -3.03 0.00 0.00 36.82 34.37 3k8x h ILE 2089CO -0.21 0.17 0.48 0.77 -0.68 0.00 0.00 178.15 178.69 3k8x h SER 2090N 0.79 1.11 0.28 1.72 4.64 -0.83 -1.01 113.55 120.24 3k8x h SER 2090Ca 0.21 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3k8x h SER 2090Cb -0.03 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 3k8x h SER 2090CO -0.04 0.89 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.51 3k8x h LEU 2091N 1.24 -0.60 -0.97 5.97 3.38 -0.67 -1.49 115.31 122.17 3k8x h LEU 2091Ca 0.31 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.36 3k8x h LEU 2091Cb 0.03 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3k8x h LEU 2091CO -0.05 -0.35 0.64 1.56 0.09 0.00 0.00 178.44 180.33 3k8x h GLN 2092N -0.52 1.21 -0.34 1.13 1.08 -0.99 0.53 115.11 117.22 3k8x h GLN 2092Ca -0.01 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.18 3k8x h GLN 2092Cb 0.46 -0.27 -0.06 0.00 -0.05 0.00 0.00 27.48 27.56 3k8x h GLN 2092CO -0.02 0.80 -0.03 0.35 -0.95 0.00 0.00 178.83 178.97 3k8x h PHE 2093N 1.25 -0.08 -0.15 2.96 3.57 -0.99 -1.25 116.94 122.24 3k8x h PHE 2093Ca 0.38 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 3k8x h PHE 2093Cb -0.03 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3k8x h PHE 2093CO -0.01 -0.10 0.06 0.00 -2.23 0.00 0.00 178.31 176.04 3k8x h ALA 2094N 1.31 0.19 0.00 2.41 0.00 -0.37 -2.90 119.26 119.90 3k8x h ALA 2094Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k8x h ALA 2094Cb 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k8x h ALA 2094CO -0.31 -0.23 -0.02 0.22 0.00 0.00 0.00 179.25 178.92 3k8x h ASP 2095N 0.08 0.00 1.38 0.00 1.82 -0.66 -1.15 116.42 117.89 3k8x h ASP 2095Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 3k8x h ASP 2095Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 3k8x h ASP 2095CO -0.00 0.02 -0.00 0.18 -1.61 0.00 0.00 179.24 177.82 3k8x n LEU 2096N -3.25 0.65 0.13 2.28 4.77 -0.50 -2.35 117.00 118.74 3k8x n LEU 2096Ca -0.02 0.56 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 3k8x n LEU 2096Cb 0.14 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 3k8x n LEU 2096CO 0.23 -0.14 0.40 0.45 -1.33 0.00 0.00 177.39 177.00 3k8x h HIS 2097N 0.00 0.00 -0.32 -1.77 3.86 -1.30 -3.39 115.15 112.23 3k8x h HIS 2097Ca 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3k8x h HIS 2097Cb 0.69 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.10 3k8x h HIS 2097CO 0.00 0.53 0.12 -0.25 0.86 0.00 0.00 177.93 179.19 3k8x n ASP 2098N -3.20 3.15 -4.93 2.45 10.43 -0.99 -4.75 116.55 118.71 3k8x n ASP 2098Ca 0.01 -2.52 -0.23 0.00 2.57 0.00 0.00 54.79 54.62 3k8x n ASP 2098Cb 0.75 -0.61 -0.03 0.00 1.84 0.00 0.00 41.12 43.08 3k8x n ASP 2098CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3k8x s ARG 2099N -1.59 3.31 0.48 -1.24 1.81 -1.26 -1.54 118.95 118.92 3k8x s ARG 2099Ca 0.24 -0.79 0.16 0.00 -1.72 0.00 0.00 55.73 53.62 3k8x s ARG 2099Cb 0.19 -2.83 1.18 0.00 -0.45 0.00 0.00 34.95 33.04 3k8x s ARG 2099CO 0.06 0.45 2.06 0.66 -0.68 0.00 0.00 175.30 177.84 3k8x h SER 2100N 1.50 0.16 -0.93 0.23 4.64 -1.82 -1.63 113.55 115.70 3k8x h SER 2100Ca -0.50 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3k8x h SER 2100Cb 1.22 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3k8x h SER 2100CO 0.63 0.11 0.62 0.28 -0.87 0.00 0.00 176.83 177.59 3k8x h SER 2101N 0.18 1.07 -0.29 4.97 0.02 -1.94 -0.34 113.55 117.23 3k8x h SER 2101Ca 0.15 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 3k8x h SER 2101Cb 0.35 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3k8x h SER 2101CO -0.02 0.78 -0.49 -0.09 -1.14 0.00 0.00 176.83 175.87 3k8x h ARG 2102N 1.27 0.87 -0.56 3.45 2.43 -1.60 -1.46 114.38 118.78 3k8x h ARG 2102Ca 0.34 -0.51 0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3k8x h ARG 2102Cb -0.15 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.37 3k8x h ARG 2102CO -0.07 1.15 0.10 0.52 -1.51 0.00 0.00 179.97 180.16 3k8x h MET 2103N 0.68 0.23 0.12 0.20 2.86 -1.13 0.20 114.93 118.10 3k8x h MET 2103Ca 0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3k8x h MET 2103Cb 1.08 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3k8x h MET 2103CO 0.11 0.15 -0.06 0.28 1.06 0.00 0.00 176.91 178.45 3k8x h VAL 2104N 0.23 0.90 -0.55 -2.22 2.07 -0.94 -2.21 116.25 113.54 3k8x h VAL 2104Ca 0.29 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.77 3k8x h VAL 2104Cb 0.43 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3k8x h VAL 2104CO -0.39 0.01 0.36 0.00 0.02 0.00 0.00 177.57 177.58 3k8x h ALA 2105N 0.70 1.66 -0.00 1.67 0.00 -0.70 -1.56 119.26 121.02 3k8x h ALA 2105Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k8x h ALA 2105Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3k8x h ALA 2105CO 0.03 0.30 -0.11 1.63 0.00 0.00 0.00 179.25 181.09 3k8x n LYS 2106N -4.46 0.46 -2.12 0.00 4.76 0.66 -4.95 118.16 112.51 3k8x n LYS 2106Ca 0.06 -0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 3k8x n LYS 2106Cb 0.09 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.77 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 1.34 0.05 0.36 0.72 0.00 -0.59 -4.95 105.19 102.12 3k8x n GLY 2107Ca 0.12 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.91 0.00 -4.26 1.61 0.24 -0.88 -4.94 118.33 106.19 3k8x n VAL 2108Ca -0.12 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 3k8x n VAL 2108Cb 0.57 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.80 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 -2.56 0.81 -0.00 1.34 -4.36 -1.25 -4.81 121.20 110.36 3k8x s ILE 2109Ca 0.19 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.45 3k8x s ILE 2109Cb 0.18 -2.11 -0.33 0.00 1.25 0.00 0.00 42.46 41.45 3k8x s ILE 2109CO 0.59 -0.50 0.86 0.28 0.24 0.00 0.00 174.94 176.42 3k8x h SER 2110N 2.67 0.74 -5.01 4.36 0.02 -0.57 -3.46 113.55 112.31 3k8x h SER 2110Ca -0.37 -0.91 -0.05 0.00 -0.84 0.00 0.00 61.79 59.62 3k8x h SER 2110Cb 1.20 -0.24 -0.16 0.00 0.14 0.00 0.00 62.40 63.35 3k8x h SER 2110CO 0.63 1.73 0.11 -0.54 -1.14 0.00 0.00 176.83 177.63 3k8x s LYS 2111N -2.59 1.09 0.10 3.45 1.02 -1.26 -5.09 119.74 116.47 3k8x s LYS 2111Ca -0.12 -0.18 -0.09 0.00 0.02 0.00 0.00 55.97 55.60 3k8x s LYS 2111Cb 0.05 0.50 -0.06 0.00 -0.52 0.00 0.00 37.83 37.80 3k8x s LYS 2111CO 0.91 -0.41 0.42 -1.83 -0.92 0.00 0.00 175.35 173.52 3k8x s GLU 2112N -2.46 3.76 0.26 1.68 -1.05 -1.26 -2.53 118.70 117.10 3k8x s GLU 2112Ca -0.05 0.17 0.03 0.00 -0.15 0.00 0.00 54.97 54.96 3k8x s GLU 2112Cb -0.01 -2.95 -0.05 0.00 -0.44 0.00 0.00 34.13 30.68 3k8x s GLU 2112CO -0.02 0.53 0.04 -0.51 0.95 0.00 0.00 175.26 176.25 3k8x s LEU 2113N -2.07 2.03 -0.20 1.83 1.43 0.34 -4.90 118.68 117.14 3k8x s LEU 2113Ca 0.35 -1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 3k8x s LEU 2113Cb -0.14 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 3k8x s LEU 2113CO 0.19 -0.60 -0.04 -1.61 0.23 0.00 0.00 176.35 174.53 3k8x s GLU 2114N -3.92 3.48 0.14 1.70 2.02 -1.26 0.01 118.70 120.87 3k8x s GLU 2114Ca 0.33 -0.59 -0.20 0.00 0.02 0.00 0.00 54.97 54.53 3k8x s GLU 2114Cb 0.07 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.35 3k8x s GLU 2114CO 0.12 -0.04 1.17 1.87 0.02 0.00 0.00 175.26 178.40 3k8x n TRP 2115N 4.36 -0.22 0.30 1.61 -0.00 -1.26 -0.84 117.44 121.39 3k8x n TRP 2115Ca -0.18 0.95 0.17 0.00 -0.00 0.00 0.00 57.50 58.44 3k8x n TRP 2115Cb 0.51 -0.63 0.95 0.00 -0.00 0.00 0.00 31.31 32.14 3k8x n TRP 2115CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 3k8x h THR 2116N 0.00 0.31 -0.30 5.87 1.35 -1.96 0.29 112.91 118.47 3k8x h THR 2116Ca 0.17 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3k8x h THR 2116Cb 0.36 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3k8x h THR 2116CO -0.73 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 173.95 3k8x n GLU 2117N -3.47 2.37 -0.11 4.72 -0.58 -0.02 -0.92 120.64 122.63 3k8x n GLU 2117Ca -0.02 -2.05 -0.10 0.00 -0.42 0.00 0.00 57.16 54.57 3k8x n GLU 2117Cb 0.14 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.56 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 4.48 0.77 -0.26 0.62 0.00 -0.09 -1.61 119.26 123.18 3k8x h ALA 2118Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3k8x h ALA 2118Cb 0.91 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3k8x h ALA 2118CO 0.00 0.65 -0.00 -0.09 0.00 0.00 0.00 179.25 179.81 3k8x h ARG 2119N 0.73 0.08 -0.52 0.00 2.43 -1.82 0.61 114.38 115.89 3k8x h ARG 2119Ca 0.09 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3k8x h ARG 2119Cb 0.81 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3k8x h ARG 2119CO 0.07 0.05 -0.17 0.00 -1.51 0.00 0.00 179.97 178.41 3k8x h ARG 2120N 0.08 1.02 0.18 0.20 3.08 -1.70 -0.45 114.38 116.79 3k8x h ARG 2120Ca 0.12 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3k8x h ARG 2120Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3k8x h ARG 2120CO -0.21 1.10 -0.09 0.35 -1.07 0.00 0.00 179.97 180.06 3k8x h PHE 2121N 0.90 -0.22 -0.34 3.04 3.57 -0.88 -3.13 116.94 119.88 3k8x h PHE 2121Ca 0.13 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 3k8x h PHE 2121Cb 0.74 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3k8x h PHE 2121CO 0.05 0.11 -0.17 0.74 -2.23 0.00 0.00 178.31 176.81 3k8x h PHE 2122N -0.59 0.68 -0.33 0.41 0.05 0.28 -1.31 116.94 116.13 3k8x h PHE 2122Ca -0.02 -0.13 0.07 0.00 3.82 0.00 0.00 57.97 61.71 3k8x h PHE 2122Cb 0.44 -0.17 -0.07 0.00 2.00 0.00 0.00 35.95 38.14 3k8x h PHE 2122CO 0.03 0.75 -0.17 0.35 -0.18 0.00 0.00 178.31 179.09 3k8x h PHE 2123N 0.55 -0.44 0.04 -0.55 3.57 -1.13 0.43 116.94 119.42 3k8x h PHE 2123Ca 0.09 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.40 3k8x h PHE 2123Cb 0.61 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3k8x h PHE 2123CO 0.03 -0.25 -1.03 -1.49 -2.23 0.00 0.00 178.31 173.34 3k8x h TRP 2124N -0.13 0.28 -0.37 0.41 4.06 -1.43 -1.14 115.95 117.63 3k8x h TRP 2124Ca 0.17 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 3k8x h TRP 2124Cb 0.38 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 3k8x h TRP 2124CO -0.38 1.08 0.06 -0.09 -3.56 0.00 0.00 178.44 175.55 3k8x h ARG 2125N 0.07 0.61 -0.14 0.49 9.65 -0.96 -0.02 114.38 124.08 3k8x h ARG 2125Ca -0.06 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.63 3k8x h ARG 2125Cb 1.73 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.23 3k8x h ARG 2125CO 0.16 0.68 0.02 1.25 2.80 0.00 0.00 179.97 184.87 3k8x h LEU 2126N 0.45 0.22 -0.73 3.80 5.85 -0.06 0.17 115.31 125.02 3k8x h LEU 2126Ca 0.11 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.62 3k8x h LEU 2126Cb 0.36 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3k8x h LEU 2126CO 0.01 0.44 0.42 -0.09 -0.34 0.00 0.00 178.44 178.88 3k8x h ARG 2127N -0.00 0.75 -0.47 1.25 2.43 -1.18 0.67 114.38 117.83 3k8x h ARG 2127Ca 0.04 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3k8x h ARG 2127Cb 0.31 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3k8x h ARG 2127CO 0.00 0.49 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.77 3k8x h ARG 2128N 0.77 0.89 -0.37 0.20 1.12 -0.74 -1.62 114.38 114.63 3k8x h ARG 2128Ca 0.33 -0.33 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 3k8x h ARG 2128Cb 0.20 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 3k8x h ARG 2128CO -0.19 0.98 0.18 0.00 -3.11 0.00 0.00 179.97 177.83 3k8x h ARG 2129N 0.73 0.53 -0.50 0.20 2.47 0.20 -1.96 114.38 116.05 3k8x h ARG 2129Ca 0.12 -0.08 0.03 0.00 -1.26 0.00 0.00 59.98 58.79 3k8x h ARG 2129Cb 0.64 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 3k8x h ARG 2129CO 0.04 0.47 0.28 -0.07 0.56 0.00 0.00 179.97 181.26 3k8x h LEU 2130N 0.46 0.44 -0.67 3.04 3.38 -0.83 0.20 115.31 121.31 3k8x h LEU 2130Ca 0.13 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3k8x h LEU 2130Cb 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3k8x h LEU 2130CO -0.02 0.31 0.26 0.78 0.09 0.00 0.00 178.44 179.86 3k8x h ASN 2131N 0.55 0.93 -0.42 -0.43 -0.26 -1.15 -1.88 115.58 112.92 3k8x h ASN 2131Ca 0.21 -0.18 -0.13 0.00 -0.56 0.00 0.00 56.30 55.65 3k8x h ASN 2131Cb 0.06 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3k8x h ASN 2131CO -0.12 0.85 -0.22 -0.33 -1.06 0.00 0.00 177.43 176.56 3k8x h GLU 2132N 0.95 0.93 -0.53 0.81 5.08 -1.11 -2.45 114.58 118.27 3k8x h GLU 2132Ca 0.22 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3k8x h GLU 2132Cb 0.22 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3k8x h GLU 2132CO -0.02 1.05 0.24 0.93 -1.00 0.00 0.00 179.01 180.21 3k8x h GLU 2133N 0.80 0.45 -0.63 2.33 4.39 -0.76 -1.12 114.58 120.04 3k8x h GLU 2133Ca 0.11 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3k8x h GLU 2133Cb 0.78 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 3k8x h GLU 2133CO 0.06 0.30 0.39 -0.92 -1.16 0.00 0.00 179.01 177.69 3k8x h TYR 2134N 0.46 0.83 -0.35 4.33 3.20 -1.28 -0.40 116.97 123.76 3k8x h TYR 2134Ca 0.24 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3k8x h TYR 2134Cb 0.20 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3k8x h TYR 2134CO -0.12 0.55 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.73 3k8x h LEU 2135N 0.86 0.62 -0.11 2.82 3.38 -0.98 -0.94 115.31 120.96 3k8x h LEU 2135Ca 0.23 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k8x h LEU 2135Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3k8x h LEU 2135CO -0.04 0.79 0.07 0.40 0.09 0.00 0.00 178.44 179.74 3k8x h ILE 2136N 0.57 1.06 -0.04 1.22 2.04 -0.62 -0.24 117.51 121.50 3k8x h ILE 2136Ca 0.10 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3k8x h ILE 2136Cb 0.59 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3k8x h ILE 2136CO 0.04 0.06 -0.09 0.11 0.00 0.00 0.00 178.15 178.27 3k8x h LYS 2137N 0.12 -0.13 -0.48 2.37 1.57 -0.81 0.68 116.57 119.90 3k8x h LYS 2137Ca 0.04 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3k8x h LYS 2137Cb 0.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3k8x h LYS 2137CO -0.01 -0.08 0.32 0.00 -0.57 0.00 0.00 179.45 179.11 3k8x h ARG 2138N -0.13 0.41 -0.01 3.15 3.08 -1.08 -2.33 114.38 117.46 3k8x h ARG 2138Ca 0.05 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 3k8x h ARG 2138Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3k8x h ARG 2138CO -0.12 0.27 -0.82 1.25 -1.07 0.00 0.00 179.97 179.48 3k8x h LEU 2139N 0.42 0.23 -1.09 3.04 5.85 -0.04 -3.01 115.31 120.71 3k8x h LEU 2139Ca 0.21 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.88 3k8x h LEU 2139Cb 0.28 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 3k8x h LEU 2139CO -0.05 0.95 0.61 0.28 -0.34 0.00 0.00 178.44 179.89 3k8x h SER 2140N 0.11 0.83 -0.38 1.25 0.02 -0.32 -3.38 113.55 111.68 3k8x h SER 2140Ca -0.03 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3k8x h SER 2140Cb 1.42 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 3k8x h SER 2140CO 0.12 0.42 0.21 -1.00 -1.14 0.00 0.00 176.83 175.44 3k8x s HIS 2141N -5.86 1.31 0.00 3.45 3.76 -1.14 -4.72 115.29 112.10 3k8x s HIS 2141Ca -0.11 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 56.53 3k8x s HIS 2141Cb 0.23 -3.55 0.00 0.00 1.11 0.00 0.00 32.58 30.36 3k8x s HIS 2141CO 0.80 -1.42 0.00 0.00 -0.85 0.00 0.00 174.74 173.27 3k8x n GLN 2142N 8.68 0.00 -0.14 1.40 10.64 -1.26 -5.06 117.38 131.64 3k8x n GLN 2142Ca 0.45 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.56 3k8x n GLN 2142Cb 0.45 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.86 3k8x n GLN 2142CO 0.00 0.00 0.00 -0.39 -1.83 0.00 0.00 177.06 174.84 3k8x h VAL 2143N 1.72 0.93 -1.34 -0.39 -1.51 -1.96 -3.39 116.25 110.31 3k8x h VAL 2143Ca 0.00 -0.14 -0.43 0.00 -1.23 0.00 0.00 66.70 64.90 3k8x h VAL 2143Cb 0.00 0.49 -0.06 0.00 -2.13 0.00 0.00 31.29 29.59 3k8x h VAL 2143CO 0.00 0.07 1.08 -0.83 -1.23 0.00 0.00 177.57 176.66 3k8x s GLY 2144N -2.78 0.44 -0.28 5.19 0.00 -1.26 -4.96 107.32 103.68 3k8x s GLY 2144Ca -0.13 -1.37 -0.21 0.00 0.00 0.00 0.00 44.72 43.01 3k8x s GLY 2144CO 0.73 3.24 0.67 -0.54 0.00 0.00 0.00 173.10 177.19 3k8x s GLU 2145N 6.54 4.03 0.35 2.90 0.41 -1.26 -5.06 118.70 126.60 3k8x s GLU 2145Ca 0.61 0.50 0.08 0.00 -0.41 0.00 0.00 54.97 55.75 3k8x s GLU 2145Cb -0.07 -3.69 -0.03 0.00 -1.78 0.00 0.00 34.13 28.56 3k8x s GLU 2145CO 0.06 -0.51 0.28 0.00 -0.49 0.00 0.00 175.26 174.60 3k8x s ALA 2146N 2.63 3.81 1.12 5.21 0.00 -1.26 -5.12 121.76 128.14 3k8x s ALA 2146Ca 0.27 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 3k8x s ALA 2146Cb -0.15 -1.06 0.26 0.00 0.00 0.00 0.00 23.12 22.17 3k8x s ALA 2146CO 0.10 -0.02 1.05 -1.54 0.00 0.00 0.00 175.76 175.34 3k8x s SER 2147N -3.99 1.43 0.02 0.00 1.04 -1.26 -4.82 113.70 106.13 3k8x s SER 2147Ca 0.41 1.36 -0.25 0.00 0.48 0.00 0.00 55.95 57.96 3k8x s SER 2147Cb -0.05 -2.12 -0.18 0.00 0.10 0.00 0.00 66.02 63.78 3k8x s SER 2147CO 0.26 -3.90 1.43 -0.09 0.98 0.00 0.00 173.24 171.92 3k8x h ARG 2148N -2.42 -0.10 -0.97 4.02 2.43 -2.00 -1.80 114.38 113.55 3k8x h ARG 2148Ca -0.60 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 58.77 3k8x h ARG 2148Cb 1.34 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.82 3k8x h ARG 2148CO 0.53 0.18 0.61 1.25 -1.51 0.00 0.00 179.97 181.04 3k8x h LEU 2149N -0.38 0.65 -0.42 3.80 6.46 -2.00 0.10 115.31 123.52 3k8x h LEU 2149Ca -0.01 0.07 -0.18 0.00 -0.12 0.00 0.00 57.88 57.64 3k8x h LEU 2149Cb 0.33 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 3k8x h LEU 2149CO 0.02 0.25 -0.60 -0.33 -0.62 0.00 0.00 178.44 177.16 3k8x h GLU 2150N 0.65 0.62 -0.36 1.25 5.08 -1.90 -2.38 114.58 117.55 3k8x h GLU 2150Ca 0.53 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3k8x h GLU 2150Cb 0.97 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3k8x h GLU 2150CO -0.29 1.04 0.16 0.87 -1.00 0.00 0.00 179.01 179.79 3k8x h LYS 2151N 0.46 0.52 -0.04 2.33 1.57 0.04 -1.56 116.57 119.90 3k8x h LYS 2151Ca -0.00 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3k8x h LYS 2151Cb 1.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3k8x h LYS 2151CO 0.12 0.48 -0.56 0.82 -0.57 0.00 0.00 179.45 179.74 3k8x h ILE 2152N 0.43 1.39 0.23 1.86 2.04 -1.18 -1.89 117.51 120.40 3k8x h ILE 2152Ca 0.12 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 3k8x h ILE 2152Cb 0.14 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3k8x h ILE 2152CO -0.01 0.55 -0.12 0.00 0.00 0.00 0.00 178.15 178.57 3k8x h ALA 2153N 1.34 -0.33 -0.14 1.87 0.00 -1.31 0.20 119.26 120.89 3k8x h ALA 2153Ca -0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3k8x h ALA 2153Cb 1.02 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3k8x h ALA 2153CO 0.08 -0.69 -0.09 -0.09 0.00 0.00 0.00 179.25 178.46 3k8x h ARG 2154N -0.34 -0.08 -0.39 0.00 2.43 -1.12 -0.64 114.38 114.24 3k8x h ARG 2154Ca -0.03 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3k8x h ARG 2154Cb 0.27 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3k8x h ARG 2154CO 0.04 -0.06 0.03 0.82 -1.51 0.00 0.00 179.97 179.30 3k8x h ILE 2155N -0.09 0.74 0.00 1.20 2.04 -1.23 -2.51 117.51 117.67 3k8x h ILE 2155Ca 0.08 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3k8x h ILE 2155Cb 0.21 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3k8x h ILE 2155CO -0.19 0.03 -0.15 0.03 0.00 0.00 0.00 178.15 177.86 3k8x h ARG 2156N 0.14 0.00 0.00 2.37 3.08 -0.14 -1.38 114.38 118.46 3k8x h ARG 2156Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3k8x h ARG 2156Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3k8x h ARG 2156CO -0.29 0.15 0.00 0.66 -1.07 0.00 0.00 179.97 179.42 3k8x h SER 2157N 0.00 0.00 1.50 7.04 4.64 -0.67 -2.77 113.55 123.29 3k8x h SER 2157Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3k8x h SER 2157Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3k8x h SER 2157CO 0.02 0.00 -0.11 -0.50 -0.87 0.00 0.00 176.83 175.37 3k8x h TRP 2158N 0.00 0.00 -3.40 4.77 6.55 -1.14 -3.45 115.95 119.28 3k8x h TRP 2158Ca 0.00 0.00 -0.52 0.00 0.95 0.00 0.00 58.89 59.32 3k8x h TRP 2158Cb 0.51 0.00 0.04 0.00 -0.86 0.00 0.00 29.16 28.84 3k8x h TRP 2158CO 0.00 0.11 0.66 0.71 -1.05 0.00 0.00 178.44 178.87 3k8x s TYR 2159N -3.36 3.23 1.05 0.49 4.12 -1.05 -5.00 117.35 116.83 3k8x s TYR 2159Ca 0.04 1.21 -0.12 0.00 0.02 0.00 0.00 57.07 58.22 3k8x s TYR 2159Cb 0.07 -3.62 0.22 0.00 -1.52 0.00 0.00 41.96 37.11 3k8x s TYR 2159CO 0.64 -1.95 1.07 -2.14 0.02 0.00 0.00 175.55 173.20 3k8x s PRO 2160N -0.19 -0.01 0.55 -1.71 0.02 -1.26 -4.89 135.00 127.51 3k8x s PRO 2160Ca 0.57 1.06 0.26 0.00 0.02 0.00 0.00 61.00 62.91 3k8x s PRO 2160Cb -0.37 -1.64 1.60 0.00 0.02 0.00 0.00 34.50 34.10 3k8x s PRO 2160CO 0.39 -3.18 2.18 0.00 -0.33 0.00 0.00 177.00 176.06 3k8x h ALA 2161N -2.24 1.54 0.00 -1.55 0.00 -1.97 -2.37 119.26 112.67 3k8x h ALA 2161Ca -0.54 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3k8x h ALA 2161Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k8x h ALA 2161CO 0.48 0.06 0.00 0.66 0.00 0.00 0.00 179.25 180.45 3k8x h SER 2162N 0.00 0.00 -3.42 0.00 4.64 -2.03 -3.43 113.55 109.31 3k8x h SER 2162Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3k8x h SER 2162Cb 0.11 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.10 3k8x h SER 2162CO 0.01 0.00 0.14 -0.69 -0.87 0.00 0.00 176.83 175.41 3k8x s VAL 2163N -3.79 5.01 -0.37 0.95 1.01 -0.90 -5.04 120.40 117.27 3k8x s VAL 2163Ca -0.01 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 3k8x s VAL 2163Cb 0.10 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.55 3k8x s VAL 2163CO 0.49 0.09 1.10 -0.62 0.00 0.00 0.00 175.10 176.15 3k8x s ASP 2164N 1.25 6.83 0.48 3.32 2.15 -1.26 -4.91 116.67 124.52 3k8x s ASP 2164Ca 0.29 0.85 0.23 0.00 0.43 0.00 0.00 52.55 54.35 3k8x s ASP 2164Cb -0.16 -2.55 1.27 0.00 -0.30 0.00 0.00 42.92 41.18 3k8x s ASP 2164CO 0.10 -1.01 1.91 0.45 -0.17 0.00 0.00 175.17 176.45 3k8x h HIS 2165N 8.48 0.25 -0.00 -5.34 3.86 -1.96 -1.19 115.15 119.25 3k8x h HIS 2165Ca -0.21 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3k8x h HIS 2165Cb 1.06 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.45 3k8x h HIS 2165CO 0.88 0.08 -0.14 0.39 0.86 0.00 0.00 177.93 180.00 3k8x n GLU 2166N -4.40 0.13 -3.32 2.45 -0.58 -1.26 -4.74 120.64 108.92 3k8x n GLU 2166Ca 0.16 -0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 3k8x n GLU 2166Cb 0.71 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.00 3k8x n GLU 2166CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3k8x s ASP 2167N -2.89 6.18 0.17 1.62 -1.08 -0.45 -4.95 116.67 115.27 3k8x s ASP 2167Ca 0.17 -0.80 -0.14 0.00 -0.52 0.00 0.00 52.55 51.25 3k8x s ASP 2167Cb 0.19 -2.22 0.11 0.00 -1.46 0.00 0.00 42.92 39.53 3k8x s ASP 2167CO 0.56 -0.61 1.77 0.44 0.52 0.00 0.00 175.17 177.85 3k8x h ASP 2168N 8.75 0.29 -0.37 -0.34 3.45 -1.85 -0.68 116.42 125.67 3k8x h ASP 2168Ca -0.27 0.03 -0.14 0.00 0.43 0.00 0.00 57.03 57.09 3k8x h ASP 2168Cb 1.11 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 3k8x h ASP 2168CO 0.82 0.21 -0.29 -0.09 -1.57 0.00 0.00 179.24 178.32 3k8x h ARG 2169N 0.42 0.89 -0.38 3.56 2.43 -1.93 -0.01 114.38 119.36 3k8x h ARG 2169Ca 0.20 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 3k8x h ARG 2169Cb 0.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3k8x h ARG 2169CO -0.16 1.06 -0.05 0.37 -1.51 0.00 0.00 179.97 179.68 3k8x h GLN 2170N 0.75 0.72 -0.03 0.20 4.15 -1.79 0.30 115.11 119.41 3k8x h GLN 2170Ca 0.09 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 3k8x h GLN 2170Cb 0.85 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 3k8x h GLN 2170CO 0.07 0.84 0.01 0.28 -1.93 0.00 0.00 178.83 178.10 3k8x h VAL 2171N 0.53 1.17 -0.06 2.39 2.07 -1.02 0.03 116.25 121.36 3k8x h VAL 2171Ca 0.10 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3k8x h VAL 2171Cb 0.55 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3k8x h VAL 2171CO 0.03 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 177.69 3k8x h ALA 2172N 0.80 -0.02 -0.86 1.67 0.00 -0.97 -2.12 119.26 117.76 3k8x h ALA 2172Ca 0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3k8x h ALA 2172Cb 0.21 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3k8x h ALA 2172CO -0.00 -0.54 0.57 1.15 0.00 0.00 0.00 179.25 180.42 3k8x h THR 2173N -0.09 1.22 0.35 0.00 2.02 -0.90 -2.14 112.91 113.37 3k8x h THR 2173Ca 0.05 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3k8x h THR 2173Cb 0.16 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3k8x h THR 2173CO -0.11 0.21 -0.17 -0.25 0.37 0.00 0.00 175.52 175.57 3k8x h TRP 2174N 1.16 -0.44 -0.71 3.16 7.01 -0.60 -1.73 115.95 123.80 3k8x h TRP 2174Ca 0.31 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.46 3k8x h TRP 2174Cb -0.13 0.14 -0.11 0.00 -2.10 0.00 0.00 29.16 26.96 3k8x h TRP 2174CO -0.01 -0.24 0.13 0.82 -2.79 0.00 0.00 178.44 176.35 3k8x h ILE 2175N -0.53 0.50 0.00 2.65 2.04 -1.26 -0.84 117.51 120.07 3k8x h ILE 2175Ca -0.05 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3k8x h ILE 2175Cb 0.40 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3k8x h ILE 2175CO 0.08 0.04 -0.15 -0.33 0.00 0.00 0.00 178.15 177.79 3k8x h GLU 2176N 0.23 0.00 -0.01 2.37 5.08 -1.13 -2.64 114.58 118.47 3k8x h GLU 2176Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3k8x h GLU 2176Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3k8x h GLU 2176CO -0.52 0.15 -0.43 0.39 -1.00 0.00 0.00 179.01 177.59 3k8x n GLU 2177N -3.20 0.79 -1.11 2.33 1.02 -0.67 -4.27 120.64 115.52 3k8x n GLU 2177Ca 0.02 -0.56 0.03 0.00 -0.02 0.00 0.00 57.16 56.63 3k8x n GLU 2177Cb 0.48 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.53 3k8x n GLU 2177CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3k8x n ASN 2178N -0.62 1.60 0.05 1.62 4.13 -0.39 -4.87 115.26 116.79 3k8x n ASN 2178Ca 0.10 -3.09 -0.11 0.00 1.68 0.00 0.00 54.58 53.15 3k8x n ASN 2178Cb 0.38 -0.43 -0.04 0.00 -1.54 0.00 0.00 39.78 38.15 3k8x n ASN 2178CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 3k8x h TYR 2179N 1.13 -0.52 -0.55 3.10 0.99 -1.66 0.16 116.97 119.62 3k8x h TYR 2179Ca -0.07 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.76 3k8x h TYR 2179Cb 1.39 0.23 -0.10 0.00 1.00 0.00 0.00 36.73 39.24 3k8x h TYR 2179CO 0.53 -0.28 -0.42 0.87 -0.00 0.00 0.00 178.16 178.86 3k8x h LYS 2180N -0.31 -0.23 -0.00 4.88 6.56 -1.90 1.59 116.57 127.15 3k8x h LYS 2180Ca 0.06 0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.60 3k8x h LYS 2180Cb 0.39 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 3k8x h LYS 2180CO -0.19 -0.15 -0.32 0.00 -2.06 0.00 0.00 179.45 176.73 3k8x h THR 2181N -0.24 1.23 0.10 -0.16 1.03 -1.86 -2.66 112.91 110.36 3k8x h THR 2181Ca 0.18 -1.08 -0.01 0.00 -0.01 0.00 0.00 66.41 65.49 3k8x h THR 2181Cb 0.57 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 3k8x h THR 2181CO -0.67 0.31 -0.05 -0.07 -0.01 0.00 0.00 175.52 175.03 3k8x h LEU 2182N 0.00 -0.12 -0.93 0.00 3.38 0.69 -2.84 115.31 115.50 3k8x h LEU 2182Ca -0.00 -0.42 0.26 0.00 0.09 0.00 0.00 57.88 57.80 3k8x h LEU 2182Cb 0.56 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.17 3k8x h LEU 2182CO 0.04 0.41 0.10 -0.78 0.09 0.00 0.00 178.44 178.30 3k8x h ASP 2183N -0.69 -0.30 0.05 -0.43 3.58 0.23 -0.50 116.42 118.36 3k8x h ASP 2183Ca -0.01 0.25 -0.19 0.00 0.42 0.00 0.00 57.03 57.50 3k8x h ASP 2183Cb 0.53 0.40 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 3k8x h ASP 2183CO 0.02 -0.29 -0.67 0.44 -2.88 0.00 0.00 179.24 175.87 3k8x h ASP 2184N 0.07 0.67 0.19 2.28 3.45 -1.53 -2.18 116.42 119.37 3k8x h ASP 2184Ca 0.57 -0.41 -0.04 0.00 0.43 0.00 0.00 57.03 57.59 3k8x h ASP 2184Cb 1.18 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 3k8x h ASP 2184CO -0.81 1.15 -0.18 0.50 -1.57 0.00 0.00 179.24 178.33 3k8x h LYS 2185N 0.42 0.00 0.11 3.56 1.63 -0.88 -1.46 116.57 119.95 3k8x h LYS 2185Ca -0.02 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.51 3k8x h LYS 2185Cb 1.25 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.91 3k8x h LYS 2185CO 0.13 0.18 -1.13 -0.07 -3.45 0.00 0.00 179.45 175.10 3k8x h LEU 2186N 0.00 0.80 -3.11 5.20 3.38 -1.02 -3.09 115.31 117.47 3k8x h LEU 2186Ca -0.00 -0.83 -0.29 0.00 0.09 0.00 0.00 57.88 56.85 3k8x h LEU 2186Cb 0.32 -0.25 -0.17 0.00 0.09 0.00 0.00 40.66 40.65 3k8x h LEU 2186CO 0.02 1.55 0.36 0.29 0.09 0.00 0.00 178.44 180.76 3k8x n LYS 2187N -3.88 1.69 -1.42 1.13 5.02 -0.84 -4.04 118.16 115.82 3k8x n LYS 2187Ca -0.14 -1.64 -0.15 0.00 -2.02 0.00 0.00 58.31 54.37 3k8x n LYS 2187Cb 0.94 -1.64 0.10 0.00 -0.02 0.00 0.00 35.03 34.41 3k8x n LYS 2187CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k8x n GLY 2188N -0.36 5.81 0.00 0.72 0.00 -0.56 -4.97 105.19 105.83 3k8x n GLY 2188Ca 0.33 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3k8x n GLY 2188CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79