#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8x n TRP 1492N 0.00 -0.85 0.47 4.31 -0.00 -1.26 -4.98 117.44 115.14 3k8x n TRP 1492Ca 0.00 0.45 0.07 0.00 -0.00 0.00 0.00 57.50 58.02 3k8x n TRP 1492Cb 0.00 -1.58 -0.09 0.00 -0.00 0.00 0.00 31.31 29.63 3k8x n TRP 1492CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3k8x n LEU 1493N 1.89 0.47 -0.31 5.87 4.77 -1.26 -4.62 117.00 123.81 3k8x n LEU 1493Ca -0.05 -0.34 0.09 0.00 -0.03 0.00 0.00 56.01 55.68 3k8x n LEU 1493Cb 0.24 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.59 3k8x n LEU 1493CO 0.08 0.12 1.11 -0.61 -1.33 0.00 0.00 177.39 176.76 3k8x h GLN 1494N 0.00 0.60 -0.32 3.23 -0.00 -1.98 0.90 115.11 117.55 3k8x h GLN 1494Ca 0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.50 3k8x h GLN 1494Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 3k8x h GLN 1494CO 0.00 0.40 -0.26 -1.35 0.00 0.00 0.00 178.83 177.62 3k8x h PRO 1495N 0.62 0.64 -0.35 -2.39 0.11 -1.99 0.13 132.00 128.77 3k8x h PRO 1495Ca 0.50 -0.26 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 3k8x h PRO 1495Cb 0.75 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 3k8x h PRO 1495CO -0.39 0.84 -0.15 0.87 -0.21 0.00 0.00 178.00 178.96 3k8x h LYS 1496N 0.56 0.73 -0.92 1.05 1.57 -1.66 -1.33 116.57 116.56 3k8x h LYS 1496Ca 0.07 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3k8x h LYS 1496Cb 0.74 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 3k8x h LYS 1496CO 0.06 0.92 0.59 0.00 -0.57 0.00 0.00 179.45 180.44 3k8x h ARG 1497N 0.52 1.23 -0.23 3.15 3.08 -0.68 -1.44 114.38 120.01 3k8x h ARG 1497Ca 0.08 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3k8x h ARG 1497Cb 0.69 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3k8x h ARG 1497CO 0.05 0.83 -0.52 -0.92 -1.07 0.00 0.00 179.97 178.34 3k8x h TYR 1498N 1.26 0.84 -0.33 3.04 3.20 -0.62 -0.61 116.97 123.74 3k8x h TYR 1498Ca 0.33 -0.29 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3k8x h TYR 1498Cb -0.11 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3k8x h TYR 1498CO 0.00 1.05 0.19 -0.22 -1.64 0.00 0.00 178.16 177.54 3k8x h LYS 1499N 0.52 0.38 -0.05 1.82 1.63 -0.70 -0.22 116.57 119.96 3k8x h LYS 1499Ca 0.02 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3k8x h LYS 1499Cb 1.09 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 3k8x h LYS 1499CO 0.11 0.25 -0.01 0.00 -3.45 0.00 0.00 179.45 176.34 3k8x h ALA 1500N 1.15 0.03 -0.79 5.00 0.00 -1.16 -2.22 119.26 121.27 3k8x h ALA 1500Ca 0.13 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3k8x h ALA 1500Cb 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3k8x h ALA 1500CO -0.07 -0.50 0.52 1.25 0.00 0.00 0.00 179.25 180.46 3k8x h HIS 1501N -0.00 0.68 -0.18 0.00 -0.00 -0.89 -1.43 115.15 113.31 3k8x h HIS 1501Ca 0.02 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.30 3k8x h HIS 1501Cb 0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 3k8x h HIS 1501CO -0.11 0.28 -0.37 1.25 -0.00 0.00 0.00 177.93 178.98 3k8x h LEU 1502N 0.60 0.42 -0.84 0.26 5.85 -0.46 -2.36 115.31 118.78 3k8x h LEU 1502Ca 0.38 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3k8x h LEU 1502Cb 0.64 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3k8x h LEU 1502CO -0.15 0.76 0.00 0.23 -0.34 0.00 0.00 178.44 178.94 3k8x n MET 1503N -4.05 1.57 -0.55 1.25 2.81 -0.62 -4.92 117.12 112.62 3k8x n MET 1503Ca -0.01 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.04 3k8x n MET 1503Cb 0.47 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.14 0.78 3.44 3.03 0.00 -0.89 -4.82 105.19 107.86 3k8x n GLY 1504Ca 0.19 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 0.45 -0.13 2.61 -1.32 -0.73 -4.82 115.64 109.70 3k8x s THR 1505Ca 0.00 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.41 3k8x s THR 1505Cb 0.00 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 3k8x s THR 1505CO 0.00 0.00 0.14 -0.89 -2.21 0.00 0.00 174.62 171.66 3k8x s THR 1506N -3.33 5.49 0.29 5.08 2.01 -1.26 -3.29 115.64 120.63 3k8x s THR 1506Ca 0.29 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 3k8x s THR 1506Cb 0.03 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 3k8x s THR 1506CO 0.18 0.60 1.45 -0.47 -0.69 0.00 0.00 174.62 175.69 3k8x s TYR 1507N -0.86 2.92 0.24 4.92 6.14 -1.26 -4.89 117.35 124.55 3k8x s TYR 1507Ca 0.14 1.06 -0.10 0.00 0.64 0.00 0.00 57.07 58.81 3k8x s TYR 1507Cb -0.12 -3.87 0.35 0.00 0.42 0.00 0.00 41.96 38.74 3k8x s TYR 1507CO 0.03 -2.75 1.61 -0.39 0.64 0.00 0.00 175.55 174.69 3k8x h VAL 1508N 3.35 0.27 0.00 3.14 -1.51 -1.96 0.19 116.25 119.73 3k8x h VAL 1508Ca -0.47 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3k8x h VAL 1508Cb 1.22 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 3k8x h VAL 1508CO 0.74 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.87 3k8x n TYR 1509N -5.46 0.00 1.13 5.19 4.02 -1.26 -1.45 117.16 119.34 3k8x n TYR 1509Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.13 3k8x n TYR 1509Cb 0.41 -0.48 0.27 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.48 0.96 -0.18 7.72 10.43 0.66 -4.34 116.55 130.32 3k8x n ASP 1510Ca 0.04 -0.76 -0.07 0.00 2.57 0.00 0.00 54.79 56.56 3k8x n ASP 1510Cb 0.16 0.26 0.02 0.00 1.84 0.00 0.00 41.12 43.40 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 0.88 0.69 -0.59 1.24 -1.00 -1.25 -3.04 116.94 113.87 3k8x h PHE 1511Ca 0.00 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.92 3k8x h PHE 1511Cb 0.53 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.83 3k8x h PHE 1511CO 0.00 0.48 0.41 -1.35 -1.61 0.00 0.00 178.31 176.23 3k8x h PRO 1512N 0.71 0.17 -0.20 1.51 0.11 -1.78 0.17 132.00 132.70 3k8x h PRO 1512Ca 0.19 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.15 3k8x h PRO 1512Cb -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3k8x h PRO 1512CO -0.04 0.12 -0.46 1.49 -0.21 0.00 0.00 178.00 178.90 3k8x h GLU 1513N 0.18 0.50 -0.96 1.05 4.57 -1.82 0.38 114.58 118.47 3k8x h GLU 1513Ca 0.28 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3k8x h GLU 1513Cb 0.87 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 3k8x h GLU 1513CO -0.05 0.86 0.63 -0.07 -1.18 0.00 0.00 179.01 179.20 3k8x h LEU 1514N 0.40 1.05 -0.93 1.64 3.38 -0.98 -1.66 115.31 118.22 3k8x h LEU 1514Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3k8x h LEU 1514Cb 0.96 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3k8x h LEU 1514CO 0.08 0.72 0.03 -0.26 0.09 0.00 0.00 178.44 179.10 3k8x h PHE 1515N 1.22 0.86 -0.10 1.13 -1.00 -0.59 -1.30 116.94 117.16 3k8x h PHE 1515Ca 0.38 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 3k8x h PHE 1515Cb -0.00 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.32 3k8x h PHE 1515CO -0.01 0.78 0.05 -0.09 -1.61 0.00 0.00 178.31 177.43 3k8x h ARG 1516N 0.77 0.14 -0.47 1.51 2.43 -0.59 0.67 114.38 118.84 3k8x h ARG 1516Ca 0.15 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3k8x h ARG 1516Cb 0.42 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3k8x h ARG 1516CO 0.02 0.21 0.29 1.96 -1.51 0.00 0.00 179.97 180.93 3k8x h GLN 1517N 0.04 0.56 -0.58 0.20 4.20 -1.20 -0.62 115.11 117.70 3k8x h GLN 1517Ca 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3k8x h GLN 1517Cb 0.11 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3k8x h GLN 1517CO -0.00 0.37 0.28 0.00 -0.67 0.00 0.00 178.83 178.81 3k8x h ALA 1518N 1.20 0.75 -0.37 3.87 0.00 -1.06 0.13 119.26 123.79 3k8x h ALA 1518Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3k8x h ALA 1518Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3k8x h ALA 1518CO -0.08 0.32 -0.06 0.77 0.00 0.00 0.00 179.25 180.20 3k8x h SER 1519N 0.80 0.59 -0.26 0.00 0.02 -0.57 -0.94 113.55 113.19 3k8x h SER 1519Ca 0.20 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3k8x h SER 1519Cb 0.12 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3k8x h SER 1519CO -0.03 0.70 -0.16 -1.28 -1.14 0.00 0.00 176.83 174.93 3k8x h SER 1520N 0.57 0.58 -0.50 3.07 0.87 -0.71 -2.37 113.55 115.07 3k8x h SER 1520Ca 0.11 -0.43 0.09 0.00 -1.23 0.00 0.00 61.79 60.33 3k8x h SER 1520Cb 0.45 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3k8x h SER 1520CO 0.02 0.89 0.34 0.28 -0.53 0.00 0.00 176.83 177.83 3k8x h SER 1521N 0.28 0.26 -0.08 6.23 0.02 -0.38 -2.19 113.55 117.70 3k8x h SER 1521Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3k8x h SER 1521Cb 0.68 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3k8x h SER 1521CO 0.04 0.16 0.04 -0.61 -1.14 0.00 0.00 176.83 175.33 3k8x h GLN 1522N 0.30 0.11 -0.84 3.45 4.15 -0.67 -1.75 115.11 119.85 3k8x h GLN 1522Ca 0.23 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.68 3k8x h GLN 1522Cb 0.52 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 3k8x h GLN 1522CO -0.05 0.16 0.54 -1.49 -1.93 0.00 0.00 178.83 176.06 3k8x h TRP 1523N 0.02 1.00 -0.34 3.99 4.06 -1.09 -1.75 115.95 121.84 3k8x h TRP 1523Ca 0.03 0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.87 3k8x h TRP 1523Cb 0.09 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 3k8x h TRP 1523CO -0.04 0.55 -0.30 0.87 -3.56 0.00 0.00 178.44 175.97 3k8x h LYS 1524N 1.02 0.79 -0.11 0.49 1.79 -1.10 0.68 116.57 120.13 3k8x h LYS 1524Ca 0.35 -0.41 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 3k8x h LYS 1524Cb 0.06 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3k8x h LYS 1524CO -0.13 1.04 -0.02 -0.91 -1.08 0.00 0.00 179.45 178.34 3k8x h ASN 1525N 0.57 0.14 0.00 0.86 2.35 -1.27 -3.00 115.58 115.23 3k8x h ASN 1525Ca 0.06 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3k8x h ASN 1525Cb 0.87 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 3k8x h ASN 1525CO 0.08 0.19 -0.06 0.15 -1.65 0.00 0.00 177.43 176.14 3k8x h PHE 1526N 0.16 0.00 -1.65 1.19 3.04 -0.67 -3.45 116.94 115.56 3k8x h PHE 1526Ca 0.04 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.73 3k8x h PHE 1526Cb 0.14 0.00 -0.27 0.00 2.56 0.00 0.00 35.95 38.38 3k8x h PHE 1526CO 0.00 0.92 -0.60 0.45 -2.02 0.00 0.00 178.31 177.05 3k8x s SER 1527N -6.18 0.29 0.39 0.41 0.15 0.17 -5.05 113.70 103.89 3k8x s SER 1527Ca -0.17 -1.24 0.19 0.00 0.70 0.00 0.00 55.95 55.43 3k8x s SER 1527Cb -0.02 1.02 1.13 0.00 -1.71 0.00 0.00 66.02 66.44 3k8x s SER 1527CO 0.61 -0.24 1.73 0.00 1.20 0.00 0.00 173.24 176.54 3k8x h ALA 1528N 7.14 2.24 0.00 5.45 0.00 -1.70 -1.94 119.26 130.44 3k8x h ALA 1528Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3k8x h ALA 1528Cb 1.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3k8x h ALA 1528CO 0.18 -0.71 0.00 -0.25 0.00 0.00 0.00 179.25 178.47 3k8x n ASP 1529N -4.71 0.00 -4.75 0.00 10.43 -1.26 -4.87 116.55 111.38 3k8x n ASP 1529Ca 0.28 0.42 -0.41 0.00 2.57 0.00 0.00 54.79 57.65 3k8x n ASP 1529Cb 0.97 -0.47 -0.02 0.00 1.84 0.00 0.00 41.12 43.44 3k8x n ASP 1529CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3k8x s VAL 1530N -2.94 2.48 -0.31 2.53 -7.23 -0.73 -4.97 120.40 109.21 3k8x s VAL 1530Ca 0.15 0.41 -0.09 0.00 -1.81 0.00 0.00 61.98 60.65 3k8x s VAL 1530Cb 0.19 -3.26 -0.00 0.00 0.56 0.00 0.00 36.38 33.86 3k8x s VAL 1530CO 0.51 0.07 0.15 -0.54 -0.31 0.00 0.00 175.10 174.98 3k8x s LYS 1531N -0.69 3.25 -0.06 4.82 -0.14 -1.26 -4.99 119.74 120.66 3k8x s LYS 1531Ca 0.59 -0.78 -0.23 0.00 -1.36 0.00 0.00 55.97 54.19 3k8x s LYS 1531Cb -0.43 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.13 3k8x s LYS 1531CO 0.47 -0.45 0.69 -0.51 -0.76 0.00 0.00 175.35 174.79 3k8x s LEU 1532N 1.59 4.32 0.51 3.17 1.43 -1.26 -5.06 118.68 123.38 3k8x s LEU 1532Ca 0.04 1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 3k8x s LEU 1532Cb -0.17 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 3k8x s LEU 1532CO 0.06 -0.10 0.78 0.42 0.23 0.00 0.00 176.35 177.74 3k8x s THR 1533N 0.74 4.09 0.45 5.49 -4.23 -1.26 -5.00 115.64 115.92 3k8x s THR 1533Ca 0.37 -0.15 0.16 0.00 -1.18 0.00 0.00 61.69 60.89 3k8x s THR 1533Cb -0.18 -3.56 0.34 0.00 1.34 0.00 0.00 72.50 70.44 3k8x s THR 1533CO 0.18 -0.50 1.98 -0.78 -0.54 0.00 0.00 174.62 174.96 3k8x h ASP 1534N 0.14 0.31 -0.09 3.99 1.82 -1.97 -2.00 116.42 118.62 3k8x h ASP 1534Ca -0.46 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 3k8x h ASP 1534Cb 1.24 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.20 3k8x h ASP 1534CO 0.60 0.18 0.00 -0.90 -1.61 0.00 0.00 179.24 177.51 3k8x n ASP 1535N -4.46 0.55 0.27 2.28 5.75 -1.26 -3.21 116.55 116.46 3k8x n ASP 1535Ca 0.10 -2.01 0.16 0.00 -0.01 0.00 0.00 54.79 53.03 3k8x n ASP 1535Cb 0.42 -0.08 0.66 0.00 -1.03 0.00 0.00 41.12 41.08 3k8x n ASP 1535CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 3k8x h PHE 1536N 0.55 0.00 -3.31 2.11 -5.15 -1.72 -3.42 116.94 105.99 3k8x h PHE 1536Ca 0.00 0.00 -0.43 0.00 -0.20 0.00 0.00 57.97 57.34 3k8x h PHE 1536Cb 0.15 0.00 -0.37 0.00 0.22 0.00 0.00 35.95 35.95 3k8x h PHE 1536CO 0.07 0.06 -0.77 0.12 -2.00 0.00 0.00 178.31 175.79 3k8x s PHE 1537N -3.72 0.74 -0.08 6.09 2.19 -1.20 -1.14 117.98 120.87 3k8x s PHE 1537Ca 0.01 -0.22 0.02 0.00 0.33 0.00 0.00 56.93 57.07 3k8x s PHE 1537Cb 0.10 -0.79 0.02 0.00 -1.31 0.00 0.00 43.02 41.04 3k8x s PHE 1537CO 0.56 -0.30 -0.12 0.42 1.83 0.00 0.00 175.22 177.61 3k8x s ILE 1538N 1.65 1.16 -0.21 3.12 1.01 0.11 -5.01 121.20 123.03 3k8x s ILE 1538Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3k8x s ILE 1538Cb -0.13 -1.09 0.04 0.00 0.01 0.00 0.00 42.46 41.30 3k8x s ILE 1538CO -0.04 0.37 -0.13 -0.55 0.00 0.00 0.00 174.94 174.59 3k8x s SER 1539N 0.92 3.54 -0.12 3.58 0.15 -1.26 -1.05 113.70 119.47 3k8x s SER 1539Ca -0.09 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.62 3k8x s SER 1539Cb -0.15 -1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.78 3k8x s SER 1539CO 0.01 -0.12 -0.12 0.20 1.20 0.00 0.00 173.24 174.41 3k8x s ASN 1540N 1.31 4.15 0.39 5.45 0.01 -0.65 -4.96 114.94 120.63 3k8x s ASN 1540Ca -0.01 -0.26 -0.26 0.00 -0.71 0.00 0.00 52.86 51.61 3k8x s ASN 1540Cb -0.16 -1.48 -0.09 0.00 0.41 0.00 0.00 41.25 39.93 3k8x s ASN 1540CO -0.09 0.21 1.27 -0.70 -1.51 0.00 0.00 177.10 176.28 3k8x s GLU 1541N 0.11 4.07 -0.18 -0.60 2.12 -1.10 -0.40 118.70 122.72 3k8x s GLU 1541Ca -0.05 2.09 -0.08 0.00 0.36 0.00 0.00 54.97 57.29 3k8x s GLU 1541Cb -0.15 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 3k8x s GLU 1541CO 0.04 -0.39 0.09 -0.51 -0.54 0.00 0.00 175.26 173.96 3k8x s LEU 1542N -2.31 4.02 0.13 2.70 1.43 0.46 -0.71 118.68 124.41 3k8x s LEU 1542Ca 0.55 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3k8x s LEU 1542Cb -0.37 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3k8x s LEU 1542CO 0.47 0.22 0.10 0.27 0.23 0.00 0.00 176.35 177.64 3k8x s ILE 1543N 0.13 0.11 0.06 -0.59 -4.36 -0.82 -4.34 121.20 111.39 3k8x s ILE 1543Ca 0.07 -1.76 -0.29 0.00 -0.26 0.00 0.00 60.65 58.41 3k8x s ILE 1543Cb -0.12 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 3k8x s ILE 1543CO -0.00 -0.49 0.92 -1.61 0.24 0.00 0.00 174.94 174.00 3k8x s GLU 1544N -4.01 4.61 0.00 0.37 2.02 -1.26 -1.06 118.70 119.37 3k8x s GLU 1544Ca 0.20 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.54 3k8x s GLU 1544Cb 0.07 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.89 3k8x s GLU 1544CO -0.00 0.14 0.00 -0.40 0.02 0.00 0.00 175.26 175.02 3k8x n ASP 1545N 3.16 0.00 -0.16 -0.19 5.68 -0.73 -4.84 116.55 119.46 3k8x n ASP 1545Ca 0.02 -0.15 -0.08 0.00 -0.50 0.00 0.00 54.79 54.08 3k8x n ASP 1545Cb 0.50 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.49 3k8x n ASP 1545CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3k8x h GLU 1546N 0.00 0.68 0.00 0.11 3.07 -1.98 -1.54 114.58 114.92 3k8x h GLU 1546Ca 0.00 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 3k8x h GLU 1546Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3k8x h GLU 1546CO 0.00 0.58 -0.24 -0.91 -1.40 0.00 0.00 179.01 177.04 3k8x h ASN 1547N 0.61 0.00 0.00 1.42 2.35 -2.03 -3.46 115.58 114.47 3k8x h ASN 1547Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3k8x h ASN 1547Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3k8x h ASN 1547CO -0.02 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 176.61 3k8x n GLY 1548N -0.83 1.58 3.62 2.83 0.00 -0.58 -5.10 105.19 106.71 3k8x n GLY 1548Ca -0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3k8x n GLY 1548CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k8x s GLU 1549N -1.14 3.96 0.19 1.61 2.12 -1.26 -4.76 118.70 119.42 3k8x s GLU 1549Ca 0.00 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 54.68 3k8x s GLU 1549Cb 0.00 -3.30 -0.10 0.00 0.26 0.00 0.00 34.13 30.99 3k8x s GLU 1549CO 0.00 0.18 1.57 -0.51 -0.54 0.00 0.00 175.26 175.96 3k8x s LEU 1550N 0.65 4.37 0.04 2.70 1.43 -1.26 -1.78 118.68 124.83 3k8x s LEU 1550Ca 0.04 2.68 0.02 0.00 -1.03 0.00 0.00 54.13 55.84 3k8x s LEU 1550Cb -0.13 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 3k8x s LEU 1550CO 0.01 -0.83 -0.07 0.28 0.23 0.00 0.00 176.35 175.97 3k8x s THR 1551N 0.89 0.50 0.15 5.49 -1.32 -0.22 -4.93 115.64 116.20 3k8x s THR 1551Ca 0.68 -1.14 -0.30 0.00 -1.21 0.00 0.00 61.69 59.72 3k8x s THR 1551Cb -0.44 -0.67 -0.07 0.00 -1.51 0.00 0.00 72.50 69.81 3k8x s THR 1551CO 0.34 -0.44 1.08 -1.61 -2.21 0.00 0.00 174.62 171.78 3k8x s GLU 1552N -1.78 4.60 0.07 7.08 2.02 -1.26 -1.94 118.70 127.49 3k8x s GLU 1552Ca -0.09 1.66 -0.03 0.00 0.02 0.00 0.00 54.97 56.53 3k8x s GLU 1552Cb -0.09 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3k8x s GLU 1552CO -0.00 0.07 0.04 0.14 0.02 0.00 0.00 175.26 175.52 3k8x s VAL 1553N -0.03 0.19 -0.25 2.63 -7.23 0.12 -4.98 120.40 110.85 3k8x s VAL 1553Ca 0.50 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 3k8x s VAL 1553Cb -0.28 -1.53 0.03 0.00 0.56 0.00 0.00 36.38 35.17 3k8x s VAL 1553CO 0.33 -0.85 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.59 3k8x s GLU 1554N -3.92 2.76 0.26 4.82 2.02 -1.26 -2.70 118.70 120.69 3k8x s GLU 1554Ca 0.08 -1.03 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 3k8x s GLU 1554Cb 0.07 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.32 3k8x s GLU 1554CO -0.09 -0.43 0.52 -0.98 0.02 0.00 0.00 175.26 174.30 3k8x s ARG 1555N 1.30 1.63 0.30 1.61 1.70 -1.26 -5.12 118.95 119.11 3k8x s ARG 1555Ca -0.01 -1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 53.69 3k8x s ARG 1555Cb -0.17 0.49 -0.10 0.00 -0.57 0.00 0.00 34.95 34.60 3k8x s ARG 1555CO -0.05 -0.69 1.24 -1.21 -1.08 0.00 0.00 175.30 173.51 3k8x s GLU 1556N -3.85 4.45 0.83 3.89 2.02 -1.26 -4.98 118.70 119.80 3k8x s GLU 1556Ca 0.22 2.06 -0.13 0.00 0.02 0.00 0.00 54.97 57.14 3k8x s GLU 1556Cb -0.01 -3.13 0.09 0.00 0.10 0.00 0.00 34.13 31.18 3k8x s GLU 1556CO 0.10 -0.06 1.11 -0.35 0.02 0.00 0.00 175.26 176.07 3k8x n PRO 1557N 1.18 0.04 -0.55 0.39 -0.04 -1.26 -3.75 135.00 131.01 3k8x n PRO 1557Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3k8x n PRO 1557Cb 0.43 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3k8x n PRO 1557CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k8x n GLY 1558N 0.61 0.77 0.84 0.55 0.00 -1.26 -4.94 105.19 101.76 3k8x n GLY 1558Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 3k8x n GLY 1558CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8x n ALA 1559N -0.36 2.51 -1.83 4.61 0.00 -1.25 -4.95 120.51 119.25 3k8x n ALA 1559Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 3k8x n ALA 1559Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3k8x n ALA 1559CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k8x s ASN 1560N -0.95 6.53 0.00 0.00 6.03 -1.26 -4.89 114.94 120.40 3k8x s ASN 1560Ca 0.29 2.58 0.26 0.00 -1.03 0.00 0.00 52.86 54.96 3k8x s ASN 1560Cb 0.16 -2.56 1.01 0.00 -3.03 0.00 0.00 41.25 36.83 3k8x s ASN 1560CO 0.19 -0.95 1.71 0.00 -2.03 0.00 0.00 177.10 176.01 3k8x n ALA 1561N 6.08 2.57 -2.23 3.54 0.00 -1.26 -4.87 120.51 124.34 3k8x n ALA 1561Ca 0.17 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 3k8x n ALA 1561Cb 0.40 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 3k8x n ALA 1561CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3k8x s ILE 1562N -1.94 0.58 -0.83 0.00 -4.36 -1.26 -5.06 121.20 108.33 3k8x s ILE 1562Ca 0.37 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 3k8x s ILE 1562Cb 0.20 -2.13 0.14 0.00 1.25 0.00 0.00 42.46 41.92 3k8x s ILE 1562CO 0.32 -0.45 0.74 0.61 0.24 0.00 0.00 174.94 176.40 3k8x n GLY 1563N -0.23 1.80 2.89 6.27 0.00 -1.26 -4.75 105.19 109.90 3k8x n GLY 1563Ca -0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.28 0.62 0.26 1.61 -2.45 -1.26 -0.18 119.30 116.62 3k8x s MET 1564Ca 0.10 -0.08 0.05 0.00 -1.25 0.00 0.00 55.69 54.50 3k8x s MET 1564Cb 0.07 -0.67 -0.05 0.00 1.25 0.00 0.00 34.83 35.43 3k8x s MET 1564CO 0.03 -0.05 -0.02 0.14 1.05 0.00 0.00 175.02 176.17 3k8x s VAL 1565N 0.72 1.29 -0.06 10.11 -7.23 -0.14 -4.93 120.40 120.15 3k8x s VAL 1565Ca -0.09 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 57.81 3k8x s VAL 1565Cb -0.12 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.45 3k8x s VAL 1565CO -0.00 -0.30 0.47 0.00 -0.31 0.00 0.00 175.10 174.97 3k8x s ALA 1566N -3.25 -1.21 0.03 1.32 0.00 -1.26 -1.32 121.76 116.06 3k8x s ALA 1566Ca 0.29 0.87 0.04 0.00 0.00 0.00 0.00 51.96 53.17 3k8x s ALA 1566Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3k8x s ALA 1566CO 0.10 -0.30 -0.13 -0.06 0.00 0.00 0.00 175.76 175.37 3k8x s PHE 1567N -1.00 1.17 -0.23 0.00 0.40 0.32 -0.40 117.98 118.25 3k8x s PHE 1567Ca -0.10 -0.32 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 3k8x s PHE 1567Cb -0.03 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.76 3k8x s PHE 1567CO 0.06 0.02 0.07 0.21 0.70 0.00 0.00 175.22 176.28 3k8x s LYS 1568N -0.93 3.77 -0.11 0.44 2.20 0.46 -0.53 119.74 125.04 3k8x s LYS 1568Ca 0.02 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 3k8x s LYS 1568Cb -0.07 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 3k8x s LYS 1568CO 0.01 -0.03 -0.07 0.42 -0.36 0.00 0.00 175.35 175.31 3k8x s ILE 1569N 1.21 3.63 -0.25 5.43 1.01 0.05 -1.63 121.20 130.64 3k8x s ILE 1569Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3k8x s ILE 1569Cb -0.14 -2.52 0.06 0.00 0.01 0.00 0.00 42.46 39.86 3k8x s ILE 1569CO 0.04 0.55 -0.09 -0.89 0.00 0.00 0.00 174.94 174.55 3k8x s THR 1570N -0.21 1.87 -0.03 2.92 2.01 -0.21 -1.54 115.64 120.45 3k8x s THR 1570Ca 0.03 -1.42 0.06 0.00 0.31 0.00 0.00 61.69 60.67 3k8x s THR 1570Cb -0.13 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 3k8x s THR 1570CO 0.03 -0.05 -0.22 0.68 -0.69 0.00 0.00 174.62 174.37 3k8x s VAL 1571N 1.24 1.74 -0.20 3.82 -7.23 -0.24 -0.71 120.40 118.82 3k8x s VAL 1571Ca -0.07 -0.93 -0.23 0.00 -1.81 0.00 0.00 61.98 58.93 3k8x s VAL 1571Cb -0.19 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 3k8x s VAL 1571CO -0.06 0.49 0.76 -0.54 -0.31 0.00 0.00 175.10 175.44 3k8x s LYS 1572N -0.40 4.23 0.32 4.82 1.02 -0.29 -0.16 119.74 129.27 3k8x s LYS 1572Ca 0.05 0.85 0.05 0.00 0.02 0.00 0.00 55.97 56.94 3k8x s LYS 1572Cb -0.10 -3.60 -0.06 0.00 -0.52 0.00 0.00 37.83 33.55 3k8x s LYS 1572CO 0.00 -0.35 0.02 0.95 -0.92 0.00 0.00 175.35 175.05 3k8x s THR 1573N 2.26 1.38 0.38 2.17 -4.23 0.22 -4.92 115.64 112.90 3k8x s THR 1573Ca 0.34 -2.03 0.11 0.00 -1.18 0.00 0.00 61.69 58.93 3k8x s THR 1573Cb -0.16 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.31 3k8x s THR 1573CO 0.10 -0.10 1.89 -0.65 -0.54 0.00 0.00 174.62 175.33 3k8x h PRO 1574N 2.14 0.57 0.00 3.99 0.11 -1.94 -0.40 132.00 136.47 3k8x h PRO 1574Ca -0.41 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3k8x h PRO 1574Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3k8x h PRO 1574CO 0.70 0.38 -0.64 1.05 -0.21 0.00 0.00 178.00 179.27 3k8x h GLU 1575N 0.59 0.00 -2.50 1.05 9.09 -1.92 -3.37 114.58 117.52 3k8x h GLU 1575Ca 0.41 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 59.23 3k8x h GLU 1575Cb 0.75 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.45 3k8x h GLU 1575CO -0.17 0.21 -0.77 0.66 0.05 0.00 0.00 179.01 179.00 3k8x n TYR 1576N -3.01 1.72 0.26 2.06 4.02 -0.54 -4.88 117.16 116.80 3k8x n TYR 1576Ca -0.00 -3.90 0.12 0.00 -0.01 0.00 0.00 57.90 54.11 3k8x n TYR 1576Cb 0.66 -0.35 0.71 0.00 -0.02 0.00 0.00 39.34 40.34 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 4.89 0.00 -0.01 -0.72 0.13 -1.30 1.00 132.00 136.00 3k8x h PRO 1577Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3k8x h PRO 1577Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3k8x h PRO 1577CO 0.62 0.12 -0.15 0.54 -0.23 0.00 0.00 178.00 178.91 3k8x n ARG 1578N -3.66 0.91 0.00 0.86 1.74 -1.26 -4.57 116.66 110.67 3k8x n ARG 1578Ca -0.02 -0.44 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 3k8x n ARG 1578Cb 0.24 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.28 3.53 3.15 -0.13 0.00 -0.46 -4.87 105.19 107.69 3k8x n GLY 1579Ca 0.15 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3k8x n GLY 1579CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k8x s ARG 1580N -5.21 0.79 0.09 1.61 1.70 0.77 -4.93 118.95 113.77 3k8x s ARG 1580Ca 0.00 -1.29 0.06 0.00 -0.47 0.00 0.00 55.73 54.02 3k8x s ARG 1580Cb 0.00 -0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.20 3k8x s ARG 1580CO 0.00 -0.03 -0.15 -0.65 -1.08 0.00 0.00 175.30 173.39 3k8x s GLN 1581N -3.74 0.92 0.20 3.89 -0.21 -1.26 -1.08 119.66 118.37 3k8x s GLN 1581Ca 0.10 -1.07 -0.20 0.00 0.02 0.00 0.00 55.36 54.21 3k8x s GLN 1581Cb 0.05 -0.92 0.04 0.00 1.00 0.00 0.00 33.01 33.18 3k8x s GLN 1581CO -0.05 0.20 0.59 -0.59 -2.12 0.00 0.00 175.29 173.32 3k8x s PHE 1582N -1.52 -0.29 0.03 0.91 -0.12 -0.59 -4.26 117.98 112.14 3k8x s PHE 1582Ca 0.02 -0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.88 3k8x s PHE 1582Cb -0.08 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 3k8x s PHE 1582CO 0.03 -0.96 0.09 0.14 -0.05 0.00 0.00 175.22 174.46 3k8x s VAL 1583N -3.84 4.67 -0.20 -2.49 -7.23 -0.31 -0.77 120.40 110.24 3k8x s VAL 1583Ca 0.06 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 3k8x s VAL 1583Cb -0.02 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.75 3k8x s VAL 1583CO -0.04 0.25 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.15 3k8x s VAL 1584N -1.28 2.35 0.07 1.32 1.01 0.31 -0.94 120.40 123.23 3k8x s VAL 1584Ca 0.26 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3k8x s VAL 1584Cb -0.12 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3k8x s VAL 1584CO 0.18 0.45 -0.05 -0.69 0.00 0.00 0.00 175.10 174.99 3k8x s VAL 1585N 1.31 3.74 -0.24 2.92 1.01 0.24 -0.52 120.40 128.85 3k8x s VAL 1585Ca 0.04 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 3k8x s VAL 1585Cb -0.14 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.57 3k8x s VAL 1585CO -0.10 0.18 0.64 0.00 0.00 0.00 0.00 175.10 175.83 3k8x s ALA 1586N -1.21 -1.59 0.64 5.51 0.00 -0.44 -0.25 121.76 124.42 3k8x s ALA 1586Ca 0.22 1.82 -0.17 0.00 0.00 0.00 0.00 51.96 53.83 3k8x s ALA 1586Cb -0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3k8x s ALA 1586CO 0.14 -0.30 1.21 -0.80 0.00 0.00 0.00 175.76 176.00 3k8x s ASN 1587N 0.34 4.87 -0.61 0.00 0.01 -1.15 -0.97 114.94 117.43 3k8x s ASN 1587Ca -0.00 2.37 -0.16 0.00 -0.71 0.00 0.00 52.86 54.36 3k8x s ASN 1587Cb -0.04 -2.59 0.15 0.00 0.41 0.00 0.00 41.25 39.17 3k8x s ASN 1587CO 0.01 -1.81 0.57 -0.62 -1.51 0.00 0.00 177.10 173.74 3k8x s ASP 1588N -1.78 6.33 0.66 -1.22 3.68 0.75 -4.75 116.67 120.33 3k8x s ASP 1588Ca 0.76 -1.99 0.36 0.00 2.13 0.00 0.00 52.55 53.81 3k8x s ASP 1588Cb -0.30 -2.21 1.96 0.00 -1.45 0.00 0.00 42.92 40.92 3k8x s ASP 1588CO 0.38 -0.80 2.12 -0.29 0.13 0.00 0.00 175.17 176.71 3k8x h ILE 1589N 5.63 0.05 -0.01 4.11 6.09 -1.86 -1.18 117.51 130.34 3k8x h ILE 1589Ca -0.20 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 3k8x h ILE 1589Cb 1.09 0.82 0.00 0.00 0.47 0.00 0.00 36.82 39.19 3k8x h ILE 1589CO 0.97 0.00 -0.17 0.35 -3.07 0.00 0.00 178.15 176.23 3k8x n THR 1590N -3.06 0.00 -3.65 2.19 -2.24 -1.26 -3.21 114.28 103.04 3k8x n THR 1590Ca -0.02 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.16 3k8x n THR 1590Cb 0.25 0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.30 3.33 -1.46 4.78 5.36 -0.46 -4.60 117.98 122.63 3k8x s PHE 1591Ca 0.29 -1.52 -0.00 0.00 -0.96 0.00 0.00 56.93 54.73 3k8x s PHE 1591Cb 0.20 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 3k8x s PHE 1591CO 0.45 -0.81 0.25 1.63 -1.46 0.00 0.00 175.22 175.27 3k8x n LYS 1592N 4.87 -2.30 -2.88 10.12 5.02 -1.26 -1.48 118.16 130.24 3k8x n LYS 1592Ca -0.10 0.27 -0.16 0.00 -2.02 0.00 0.00 58.31 56.30 3k8x n LYS 1592Cb 0.43 -4.13 -0.00 0.00 -0.02 0.00 0.00 35.03 31.31 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 -4.48 -0.70 -2.71 -0.18 -5.35 -1.23 -1.67 119.36 103.03 3k8x n ILE 1593Ca -0.32 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 61.96 3k8x n ILE 1593Cb 0.69 -1.58 0.01 0.00 -1.74 0.00 0.00 39.64 37.02 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 -0.94 -0.51 3.79 3.28 0.00 -0.55 -2.86 105.19 107.41 3k8x n GLY 1594Ca -0.07 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.33 5.26 -0.51 1.61 1.04 -0.67 -3.00 113.70 115.10 3k8x s SER 1595Ca 0.14 1.82 -0.17 0.00 0.48 0.00 0.00 55.95 58.22 3k8x s SER 1595Cb -0.07 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.61 3k8x s SER 1595CO 0.17 -1.52 0.51 -0.36 0.98 0.00 0.00 173.24 173.03 3k8x s PHE 1596N -2.65 3.17 0.59 5.02 0.40 0.20 -4.78 117.98 119.93 3k8x s PHE 1596Ca 0.63 -0.93 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 3k8x s PHE 1596Cb -0.17 -3.51 0.07 0.00 0.51 0.00 0.00 43.02 39.92 3k8x s PHE 1596CO 0.46 -0.97 0.82 0.20 0.70 0.00 0.00 175.22 176.43 3k8x s GLY 1597N 2.99 1.80 0.34 4.36 0.00 -1.26 -1.09 107.32 114.47 3k8x s GLY 1597Ca 0.07 -1.69 0.08 0.00 0.00 0.00 0.00 44.72 43.18 3k8x s GLY 1597CO 0.07 -1.29 1.86 -2.55 0.00 0.00 0.00 173.10 171.19 3k8x h PRO 1598N -0.01 0.72 -0.25 2.90 0.11 -1.89 -0.35 132.00 133.24 3k8x h PRO 1598Ca -0.37 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 3k8x h PRO 1598Cb 1.28 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3k8x h PRO 1598CO 0.45 0.48 -0.50 1.96 -0.21 0.00 0.00 178.00 180.18 3k8x h GLN 1599N 0.74 0.70 -0.44 1.05 4.20 -1.95 -1.61 115.11 117.80 3k8x h GLN 1599Ca 0.46 -0.42 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3k8x h GLN 1599Cb 0.68 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 3k8x h GLN 1599CO -0.22 1.04 0.06 0.93 -0.67 0.00 0.00 178.83 179.97 3k8x h GLU 1600N 0.55 0.74 0.26 1.46 3.07 -1.71 -1.82 114.58 117.13 3k8x h GLU 1600Ca 0.02 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3k8x h GLU 1600Cb 1.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 3k8x h GLU 1600CO 0.10 0.77 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.83 3k8x h ASP 1601N 0.60 -0.57 -0.80 1.42 3.45 -1.04 0.80 116.42 120.28 3k8x h ASP 1601Ca 0.13 0.05 0.08 0.00 0.43 0.00 0.00 57.03 57.72 3k8x h ASP 1601Cb 0.39 0.19 -0.07 0.00 -0.56 0.00 0.00 39.33 39.28 3k8x h ASP 1601CO 0.01 -0.33 0.46 -0.08 -1.57 0.00 0.00 179.24 177.74 3k8x h GLU 1602N -0.49 0.78 -0.22 3.56 4.57 -1.26 0.24 114.58 121.76 3k8x h GLU 1602Ca -0.01 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 3k8x h GLU 1602Cb 0.44 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3k8x h GLU 1602CO -0.02 0.52 -0.24 0.35 -1.18 0.00 0.00 179.01 178.43 3k8x h PHE 1603N 0.80 0.67 -0.46 0.92 3.57 -1.07 -1.10 116.94 120.27 3k8x h PHE 1603Ca 0.38 -0.20 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3k8x h PHE 1603Cb 0.30 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 3k8x h PHE 1603CO -0.06 0.90 0.12 0.35 -2.23 0.00 0.00 178.31 177.39 3k8x h PHE 1604N 0.24 0.19 -0.76 0.41 3.57 0.00 -0.66 116.94 119.94 3k8x h PHE 1604Ca 0.03 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3k8x h PHE 1604Cb 0.80 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 3k8x h PHE 1604CO 0.08 0.03 0.50 -0.97 -2.23 0.00 0.00 178.31 175.72 3k8x h ASN 1605N 0.26 0.86 -0.65 0.41 -0.73 -0.40 -0.81 115.58 114.51 3k8x h ASN 1605Ca 0.23 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.32 3k8x h ASN 1605Cb 0.27 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 3k8x h ASN 1605CO -0.27 0.61 0.18 0.11 -0.37 0.00 0.00 177.43 177.69 3k8x h LYS 1606N 1.01 1.06 -0.45 6.67 1.57 -0.63 -1.23 116.57 124.56 3k8x h LYS 1606Ca 0.28 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 3k8x h LYS 1606Cb -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3k8x h LYS 1606CO -0.07 0.92 -0.27 0.28 -0.57 0.00 0.00 179.45 179.74 3k8x h VAL 1607N 1.01 1.27 -0.59 0.50 2.07 -0.84 1.00 116.25 120.67 3k8x h VAL 1607Ca 0.22 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3k8x h VAL 1607Cb 0.33 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3k8x h VAL 1607CO -0.00 0.49 0.37 0.74 0.02 0.00 0.00 177.57 179.19 3k8x h THR 1608N 0.83 1.09 -0.06 2.57 2.02 -0.85 -1.49 112.91 117.02 3k8x h THR 1608Ca 0.10 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 3k8x h THR 1608Cb 0.86 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3k8x h THR 1608CO 0.08 0.13 -0.55 -0.33 0.37 0.00 0.00 175.52 175.22 3k8x h GLU 1609N 0.73 0.18 -0.47 6.66 5.08 -0.99 -0.98 114.58 124.80 3k8x h GLU 1609Ca 0.23 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3k8x h GLU 1609Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3k8x h GLU 1609CO -0.09 0.68 0.23 -0.92 -1.00 0.00 0.00 179.01 177.91 3k8x h TYR 1610N 0.14 0.67 -0.30 4.33 3.20 -0.37 -0.33 116.97 124.32 3k8x h TYR 1610Ca 0.00 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3k8x h TYR 1610Cb 1.01 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 3k8x h TYR 1610CO 0.01 0.54 -0.32 0.00 -1.64 0.00 0.00 178.16 176.76 3k8x h ALA 1611N 1.07 0.44 -0.49 1.82 0.00 -0.87 -3.07 119.26 118.16 3k8x h ALA 1611Ca 0.16 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3k8x h ALA 1611Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3k8x h ALA 1611CO -0.02 0.48 0.30 0.00 0.00 0.00 0.00 179.25 180.01 3k8x h ARG 1612N 0.49 0.65 -0.81 0.00 3.08 -1.04 0.92 114.38 117.68 3k8x h ARG 1612Ca 0.04 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3k8x h ARG 1612Cb 0.89 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 3k8x h ARG 1612CO 0.08 0.46 0.53 -0.22 -1.07 0.00 0.00 179.97 179.75 3k8x h LYS 1613N 0.65 0.97 0.00 0.04 3.64 -1.07 -2.51 116.57 118.29 3k8x h LYS 1613Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3k8x h LYS 1613Cb -0.03 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3k8x h LYS 1613CO -0.03 0.64 -0.57 0.54 -2.27 0.00 0.00 179.45 177.76 3k8x n ARG 1614N -4.45 0.11 -0.68 1.90 1.74 -0.95 -4.94 116.66 109.39 3k8x n ARG 1614Ca 0.10 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3k8x n ARG 1614Cb 0.11 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 1.44 0.63 3.80 -0.13 0.00 0.19 -4.77 105.19 106.36 3k8x n GLY 1615Ca 0.05 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 4.72 0.50 -0.61 1.10 -0.46 -0.70 121.20 123.75 3k8x s ILE 1616Ca 0.00 -0.61 -0.23 0.00 -0.51 0.00 0.00 60.65 59.30 3k8x s ILE 1616Cb 0.00 -3.25 -0.07 0.00 0.15 0.00 0.00 42.46 39.30 3k8x s ILE 1616CO 0.00 0.19 1.30 -2.65 -2.11 0.00 0.00 174.94 171.68 3k8x n PRO 1617N 0.64 1.76 -3.97 3.50 -0.02 -1.26 -4.55 135.00 131.09 3k8x n PRO 1617Ca -0.09 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 3k8x n PRO 1617Cb 0.52 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 3k8x n PRO 1617CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3k8x s ARG 1618N -2.62 2.39 -0.13 -0.52 3.52 -0.50 -1.16 118.95 119.94 3k8x s ARG 1618Ca 0.68 -1.28 -0.16 0.00 -0.13 0.00 0.00 55.73 54.84 3k8x s ARG 1618Cb -0.45 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 3k8x s ARG 1618CO 0.53 -0.59 0.39 0.42 -0.81 0.00 0.00 175.30 175.24 3k8x s ILE 1619N 1.20 5.23 -0.12 4.11 1.09 -0.12 -2.52 121.20 130.08 3k8x s ILE 1619Ca -0.06 0.77 0.01 0.00 -1.10 0.00 0.00 60.65 60.27 3k8x s ILE 1619Cb -0.20 -3.73 -0.01 0.00 -1.06 0.00 0.00 42.46 37.46 3k8x s ILE 1619CO -0.03 0.37 -0.16 -0.47 -0.10 0.00 0.00 174.94 174.56 3k8x s TYR 1620N 0.41 2.74 -0.34 3.97 6.04 -0.22 -0.60 117.35 129.36 3k8x s TYR 1620Ca 0.22 -0.69 -0.08 0.00 0.04 0.00 0.00 57.07 56.55 3k8x s TYR 1620Cb -0.14 -1.79 0.02 0.00 -1.04 0.00 0.00 41.96 39.01 3k8x s TYR 1620CO 0.08 -0.22 0.14 -0.51 -1.54 0.00 0.00 175.55 173.49 3k8x s LEU 1621N 0.25 4.31 -0.27 6.97 1.43 0.65 -0.64 118.68 131.39 3k8x s LEU 1621Ca -0.11 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 51.94 3k8x s LEU 1621Cb -0.16 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3k8x s LEU 1621CO 0.06 -0.30 0.36 0.00 0.23 0.00 0.00 176.35 176.70 3k8x s ALA 1622N 1.50 3.56 -0.35 4.21 0.00 0.21 -2.95 121.76 127.94 3k8x s ALA 1622Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.19 3k8x s ALA 1622Cb -0.18 -2.69 0.17 0.00 0.00 0.00 0.00 23.12 20.42 3k8x s ALA 1622CO 0.04 -0.64 0.50 0.00 0.00 0.00 0.00 175.76 175.67 3k8x s ALA 1623N 2.02 -1.59 0.38 0.00 0.00 -1.26 -1.67 121.76 119.64 3k8x s ALA 1623Ca 0.14 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 3k8x s ALA 1623Cb -0.16 -2.37 0.05 0.00 0.00 0.00 0.00 23.12 20.65 3k8x s ALA 1623CO 0.10 -2.02 0.77 0.54 0.00 0.00 0.00 175.76 175.15 3k8x s ASN 1624N 2.07 0.05 -0.11 0.00 2.20 -0.38 -3.97 114.94 114.80 3k8x s ASN 1624Ca 0.14 -1.17 0.21 0.00 -0.94 0.00 0.00 52.86 51.10 3k8x s ASN 1624Cb -0.10 0.84 0.45 0.00 -2.00 0.00 0.00 41.25 40.44 3k8x s ASN 1624CO -0.15 -1.67 1.17 -1.54 -2.94 0.00 0.00 177.10 171.97 3k8x n SER 1625N -1.41 1.54 0.00 3.54 3.41 -1.13 -4.14 113.62 115.42 3k8x n SER 1625Ca -0.08 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 3k8x n SER 1625Cb 0.60 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3k8x n SER 1625CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8x n GLY 1626N -0.13 -1.91 3.72 5.00 0.00 -1.19 -4.84 105.19 105.84 3k8x n GLY 1626Ca 0.12 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 3k8x n GLY 1626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8x n ALA 1627N 0.55 2.24 -1.78 4.61 0.00 -1.26 0.61 120.51 125.49 3k8x n ALA 1627Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 3k8x n ALA 1627Cb 0.00 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.01 3k8x n ALA 1627CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3k8x s ARG 1628N -0.16 4.15 0.13 0.00 3.52 -0.25 -4.65 118.95 121.70 3k8x s ARG 1628Ca 0.67 2.51 0.09 0.00 -0.13 0.00 0.00 55.73 58.87 3k8x s ARG 1628Cb -0.54 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 3k8x s ARG 1628CO 0.46 -0.48 -0.22 0.96 -0.81 0.00 0.00 175.30 175.21 3k8x s ILE 1629N -1.02 1.90 0.27 4.11 -4.36 -1.26 -4.59 121.20 116.24 3k8x s ILE 1629Ca 0.53 -1.72 -0.19 0.00 -0.26 0.00 0.00 60.65 59.01 3k8x s ILE 1629Cb -0.45 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 41.52 3k8x s ILE 1629CO 0.60 -0.10 0.67 -0.83 0.24 0.00 0.00 174.94 175.52 3k8x s GLY 1630N -2.18 0.03 0.28 6.27 0.00 -0.95 -4.88 107.32 105.89 3k8x s GLY 1630Ca 0.11 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.45 3k8x s GLY 1630CO 0.06 -0.20 0.05 -0.29 0.00 0.00 0.00 173.10 172.72 3k8x s MET 1631N -3.94 1.49 -0.81 2.90 1.75 -1.26 -4.73 119.30 114.70 3k8x s MET 1631Ca 0.13 -1.80 -0.22 0.00 -1.25 0.00 0.00 55.69 52.55 3k8x s MET 1631Cb -0.05 -0.63 0.08 0.00 2.84 0.00 0.00 34.83 37.07 3k8x s MET 1631CO 0.07 -0.19 1.14 0.00 -0.65 0.00 0.00 175.02 175.39 3k8x s ALA 1632N -3.46 3.07 0.18 4.11 0.00 -1.26 -4.88 121.76 119.52 3k8x s ALA 1632Ca 0.35 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.07 3k8x s ALA 1632Cb 0.08 -4.08 0.09 0.00 0.00 0.00 0.00 23.12 19.20 3k8x s ALA 1632CO 0.13 -3.05 1.72 0.93 0.00 0.00 0.00 175.76 175.49 3k8x h GLU 1633N 9.45 0.99 0.00 0.00 4.39 -2.00 -2.67 114.58 124.74 3k8x h GLU 1633Ca -0.07 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3k8x h GLU 1633Cb 1.04 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3k8x h GLU 1633CO 1.21 0.87 0.27 1.05 -1.16 0.00 0.00 179.01 181.25 3k8x h GLU 1634N 0.92 0.00 0.00 2.33 -0.00 -2.03 0.07 114.58 115.88 3k8x h GLU 1634Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.57 3k8x h GLU 1634Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 3k8x h GLU 1634CO -0.01 0.00 -1.49 -0.89 -0.00 0.00 0.00 179.01 176.62 3k8x n ILE 1635N -2.43 0.12 -0.28 -1.06 2.08 -1.01 -4.50 119.36 112.28 3k8x n ILE 1635Ca -0.01 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.93 3k8x n ILE 1635Cb 0.31 0.15 0.13 0.00 -0.75 0.00 0.00 39.64 39.48 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 1.01 -0.01 1.39 2.07 -1.03 -2.59 116.25 117.09 3k8x h VAL 1636Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3k8x h VAL 1636Cb 0.86 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3k8x h VAL 1636CO 0.00 0.16 -0.22 -0.81 0.02 0.00 0.00 177.57 176.72 3k8x n PRO 1637N -4.69 0.97 -0.05 1.57 -0.04 -1.26 -4.27 135.00 127.23 3k8x n PRO 1637Ca 0.11 -0.57 0.02 0.00 -0.04 0.00 0.00 63.50 63.02 3k8x n PRO 1637Cb 0.18 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.99 3k8x n PRO 1637CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3k8x n LEU 1638N -0.52 0.00 -4.79 1.53 4.77 -1.01 -5.01 117.00 111.97 3k8x n LEU 1638Ca 0.13 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 3k8x n LEU 1638Cb 0.35 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3k8x n LEU 1638CO 0.24 0.21 0.69 0.72 -1.33 0.00 0.00 177.39 177.92 3k8x s PHE 1639N -3.05 3.43 0.32 -1.77 -0.12 -1.02 -4.69 117.98 111.08 3k8x s PHE 1639Ca -0.09 1.69 0.09 0.00 -0.05 0.00 0.00 56.93 58.57 3k8x s PHE 1639Cb 0.10 -2.99 -0.05 0.00 -0.63 0.00 0.00 43.02 39.45 3k8x s PHE 1639CO 0.86 -0.22 -0.00 -0.65 -0.05 0.00 0.00 175.22 175.16 3k8x s GLN 1640N -2.49 2.10 -0.14 1.99 -1.52 0.47 -4.97 119.66 115.11 3k8x s GLN 1640Ca 0.56 -1.67 0.02 0.00 -1.95 0.00 0.00 55.36 52.32 3k8x s GLN 1640Cb -0.18 -1.98 0.01 0.00 -0.22 0.00 0.00 33.01 30.64 3k8x s GLN 1640CO 0.23 0.20 -0.21 0.08 -0.25 0.00 0.00 175.29 175.33 3k8x s VAL 1641N -2.47 2.04 -0.92 1.09 1.01 -1.26 -1.98 120.40 117.91 3k8x s VAL 1641Ca 0.34 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 3k8x s VAL 1641Cb -0.02 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 34.64 3k8x s VAL 1641CO 0.19 0.55 1.22 0.00 0.00 0.00 0.00 175.10 177.06 3k8x s ALA 1642N 0.89 3.11 0.74 5.51 0.00 -0.77 -5.02 121.76 126.22 3k8x s ALA 1642Ca -0.05 -2.46 -0.13 0.00 0.00 0.00 0.00 51.96 49.31 3k8x s ALA 1642Cb -0.15 -4.19 0.04 0.00 0.00 0.00 0.00 23.12 18.82 3k8x s ALA 1642CO -0.04 -3.18 1.12 -1.58 0.00 0.00 0.00 175.76 172.09 3k8x s TRP 1643N 3.67 2.41 -1.09 0.00 0.52 -1.26 -1.08 118.94 122.10 3k8x s TRP 1643Ca 0.36 1.59 0.23 0.00 0.02 0.00 0.00 56.10 58.29 3k8x s TRP 1643Cb -0.05 -3.19 1.01 0.00 -1.15 0.00 0.00 33.47 30.10 3k8x s TRP 1643CO -0.07 -1.99 1.73 0.09 0.02 0.00 0.00 176.95 176.74 3k8x n ASN 1644N -3.05 0.00 -3.15 2.95 5.03 0.28 -4.68 115.26 112.65 3k8x n ASN 1644Ca 0.11 0.38 0.05 0.00 0.87 0.00 0.00 54.58 55.99 3k8x n ASN 1644Cb 0.52 -0.45 -0.01 0.00 -1.02 0.00 0.00 39.78 38.82 3k8x n ASN 1644CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3k8x s ASP 1645N -2.91 -0.72 0.18 6.41 -1.08 -1.26 -5.04 116.67 112.25 3k8x s ASP 1645Ca 0.13 0.29 -0.13 0.00 -0.52 0.00 0.00 52.55 52.32 3k8x s ASP 1645Cb 0.15 1.54 0.12 0.00 -1.46 0.00 0.00 42.92 43.28 3k8x s ASP 1645CO 0.40 -0.13 1.79 0.00 0.52 0.00 0.00 175.17 177.75 3k8x h ALA 1646N 7.80 0.63 0.00 3.66 0.00 -1.98 -2.82 119.26 126.55 3k8x h ALA 1646Ca -0.12 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3k8x h ALA 1646Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3k8x h ALA 1646CO -0.02 -0.08 -0.79 0.00 0.00 0.00 0.00 179.25 178.36 3k8x h ALA 1647N 1.26 0.66 -2.86 0.00 0.00 -2.00 -3.39 119.26 112.93 3k8x h ALA 1647Ca 0.21 -0.22 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3k8x h ALA 1647Cb 0.11 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.54 3k8x h ALA 1647CO -0.14 0.26 -0.44 -1.71 0.00 0.00 0.00 179.25 177.21 3k8x n ASN 1648N -2.88 3.49 0.08 0.00 4.05 -1.07 -4.98 115.26 113.95 3k8x n ASN 1648Ca -0.01 -3.24 -0.06 0.00 0.45 0.00 0.00 54.58 51.72 3k8x n ASN 1648Cb 0.62 -0.82 -0.03 0.00 1.23 0.00 0.00 39.78 40.78 3k8x n ASN 1648CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3k8x h PRO 1649N 5.31 0.04 0.00 1.20 0.11 -1.76 -3.34 132.00 133.55 3k8x h PRO 1649Ca 0.16 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3k8x h PRO 1649Cb 0.74 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3k8x h PRO 1649CO 0.78 0.90 0.00 -0.40 -0.21 0.00 0.00 178.00 179.08 3k8x n ASP 1650N -3.51 0.00 -0.05 -2.05 5.75 -1.26 -2.83 116.55 112.59 3k8x n ASP 1650Ca -0.01 0.47 -0.14 0.00 -0.01 0.00 0.00 54.79 55.10 3k8x n ASP 1650Cb 0.84 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.38 3k8x n ASP 1650CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3k8x h LYS 1651N 0.00 0.44 0.00 0.11 6.56 -1.94 -3.49 116.57 118.25 3k8x h LYS 1651Ca 0.00 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 3k8x h LYS 1651Cb 0.08 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 3k8x h LYS 1651CO 0.00 0.90 0.00 0.41 -2.06 0.00 0.00 179.45 178.70 3k8x n GLY 1652N 0.46 2.46 3.39 3.86 0.00 -1.13 -5.05 105.19 109.19 3k8x n GLY 1652Ca -0.07 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 2.04 -0.13 1.61 -0.12 -1.26 -0.55 117.98 117.56 3k8x s PHE 1653Ca 0.00 -0.42 0.06 0.00 -0.05 0.00 0.00 56.93 56.52 3k8x s PHE 1653Cb 0.00 -0.97 -0.12 0.00 -0.63 0.00 0.00 43.02 41.30 3k8x s PHE 1653CO 0.00 0.47 -0.04 1.04 -0.05 0.00 0.00 175.22 176.64 3k8x n GLN 1654N -0.04 1.29 -3.85 1.99 1.13 -0.24 -4.89 117.38 112.78 3k8x n GLN 1654Ca -0.10 0.04 -0.06 0.00 -1.94 0.00 0.00 57.00 54.94 3k8x n GLN 1654Cb 0.58 -1.29 0.02 0.00 0.11 0.00 0.00 30.24 29.66 3k8x n GLN 1654CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3k8x s TYR 1655N -2.29 0.10 0.23 1.08 -0.85 -1.25 -5.05 117.35 109.32 3k8x s TYR 1655Ca -0.12 -0.64 0.09 0.00 -0.52 0.00 0.00 57.07 55.88 3k8x s TYR 1655Cb 0.04 0.77 -0.04 0.00 0.38 0.00 0.00 41.96 43.11 3k8x s TYR 1655CO 0.41 -1.24 -0.02 -0.51 -1.52 0.00 0.00 175.55 172.67 3k8x s LEU 1656N -3.25 3.19 0.19 -3.49 1.43 -1.26 -1.84 118.68 113.64 3k8x s LEU 1656Ca 0.19 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 3k8x s LEU 1656Cb -0.04 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.44 3k8x s LEU 1656CO 0.08 0.04 0.56 -0.72 0.23 0.00 0.00 176.35 176.54 3k8x s TYR 1657N -2.05 -0.24 0.09 0.29 1.13 -0.84 -1.23 117.35 114.50 3k8x s TYR 1657Ca 0.29 -0.08 0.04 0.00 -1.41 0.00 0.00 57.07 55.92 3k8x s TYR 1657Cb -0.08 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 3k8x s TYR 1657CO 0.19 -0.92 0.03 -0.51 -2.51 0.00 0.00 175.55 171.83 3k8x s LEU 1658N -2.84 3.59 0.68 -3.49 1.43 0.54 -0.39 118.68 118.20 3k8x s LEU 1658Ca 0.07 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3k8x s LEU 1658Cb -0.01 -2.30 0.07 0.00 0.03 0.00 0.00 46.19 43.97 3k8x s LEU 1658CO -0.05 0.17 0.97 0.42 0.23 0.00 0.00 176.35 178.09 3k8x s THR 1659N -1.36 2.34 0.57 5.49 -4.23 -1.26 -0.79 115.64 116.40 3k8x s THR 1659Ca 0.27 -0.39 0.26 0.00 -1.18 0.00 0.00 61.69 60.65 3k8x s THR 1659Cb -0.12 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.12 3k8x s THR 1659CO 0.20 0.00 2.12 -1.28 -0.54 0.00 0.00 174.62 175.12 3k8x h SER 1660N -0.48 0.00 0.41 3.99 0.87 -1.99 -0.91 113.55 115.43 3k8x h SER 1660Ca -0.43 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 3k8x h SER 1660Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3k8x h SER 1660CO 0.55 0.00 -0.19 -0.08 -0.53 0.00 0.00 176.83 176.57 3k8x h GLU 1661N 0.00 -0.52 -0.19 2.24 4.81 -1.98 -2.26 114.58 116.67 3k8x h GLU 1661Ca 0.08 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3k8x h GLU 1661Cb 0.38 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3k8x h GLU 1661CO -0.00 -0.21 -0.02 0.78 -0.73 0.00 0.00 179.01 178.82 3k8x h GLY 1662N -0.94 0.17 -0.32 1.92 0.00 -1.80 -2.32 103.07 99.77 3k8x h GLY 1662Ca -0.06 0.04 0.16 0.00 0.00 0.00 0.00 47.33 47.48 3k8x h GLY 1662CO 0.09 -0.05 -0.00 1.98 0.00 0.00 0.00 176.54 178.56 3k8x h MET 1663N 0.04 0.10 -0.02 4.80 -1.53 -1.25 -2.10 114.93 114.98 3k8x h MET 1663Ca 0.09 -0.01 -0.13 0.00 -3.44 0.00 0.00 59.70 56.22 3k8x h MET 1663Cb 0.13 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.14 3k8x h MET 1663CO -0.17 0.06 -0.60 0.93 0.14 0.00 0.00 176.91 177.27 3k8x h GLU 1664N 0.10 0.06 -0.88 0.39 3.07 -1.10 -2.88 114.58 113.33 3k8x h GLU 1664Ca 0.40 -0.04 0.08 0.00 -0.50 0.00 0.00 59.36 59.30 3k8x h GLU 1664Cb 0.69 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.54 3k8x h GLU 1664CO -0.65 0.64 0.57 1.15 -1.40 0.00 0.00 179.01 179.32 3k8x h THR 1665N 0.04 1.01 -0.12 1.13 2.02 -0.84 -2.31 112.91 113.84 3k8x h THR 1665Ca -0.01 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3k8x h THR 1665Cb 1.07 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3k8x h THR 1665CO 0.08 0.17 -0.03 -0.07 0.37 0.00 0.00 175.52 176.04 3k8x h LEU 1666N 0.93 0.23 -1.44 2.58 3.38 -1.29 -2.80 115.31 116.89 3k8x h LEU 1666Ca 0.39 -0.37 0.15 0.00 0.09 0.00 0.00 57.88 58.14 3k8x h LEU 1666Cb 0.31 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3k8x h LEU 1666CO -0.16 0.55 0.54 0.50 0.09 0.00 0.00 178.44 179.96 3k8x h LYS 1667N -0.08 0.53 -0.12 1.13 3.11 -1.40 -0.11 116.57 119.63 3k8x h LYS 1667Ca 0.03 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 3k8x h LYS 1667Cb 0.45 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.55 3k8x h LYS 1667CO 0.01 0.35 -0.01 -0.22 -2.81 0.00 0.00 179.45 176.77 3k8x h LYS 1668N 0.55 0.21 -0.02 1.90 3.64 -1.33 -3.06 116.57 118.46 3k8x h LYS 1668Ca 0.41 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3k8x h LYS 1668Cb 0.78 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3k8x h LYS 1668CO -0.16 0.48 0.00 1.19 -2.27 0.00 0.00 179.45 178.70 3k8x n PHE 1669N -4.77 0.02 -3.21 1.91 0.99 -0.85 -4.91 117.46 106.64 3k8x n PHE 1669Ca -0.06 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.45 57.23 3k8x n PHE 1669Cb 0.22 0.00 0.08 0.00 -1.00 0.00 0.00 39.48 38.78 3k8x n PHE 1669CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3k8x n ASP 1670N -0.67 -2.06 -2.69 4.37 2.03 -0.54 -4.97 116.55 112.01 3k8x n ASP 1670Ca 0.17 -0.52 -0.06 0.00 0.52 0.00 0.00 54.79 54.89 3k8x n ASP 1670Cb 0.12 -4.42 0.04 0.00 -0.72 0.00 0.00 41.12 36.14 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 -3.65 1.85 -0.04 -0.67 5.02 -0.17 -4.90 118.16 115.60 3k8x n LYS 1671Ca -0.24 -3.56 -0.03 0.00 -2.02 0.00 0.00 58.31 52.46 3k8x n LYS 1671Cb 0.64 -1.61 0.22 0.00 -0.02 0.00 0.00 35.03 34.25 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 2.66 0.61 -0.18 1.97 5.08 -1.92 -3.06 114.58 119.74 3k8x h GLU 1672Ca -0.06 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3k8x h GLU 1672Cb 1.26 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3k8x h GLU 1672CO 0.35 0.69 0.00 0.27 -1.00 0.00 0.00 179.01 179.32 3k8x n ASN 1673N -4.21 0.89 0.15 1.42 0.23 -1.26 -3.97 115.26 108.51 3k8x n ASN 1673Ca 0.01 -2.00 0.13 0.00 -0.53 0.00 0.00 54.58 52.19 3k8x n ASN 1673Cb 0.32 -0.12 0.47 0.00 -2.08 0.00 0.00 39.78 38.37 3k8x n ASN 1673CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3k8x h SER 1674N 0.95 0.00 -5.05 0.53 0.02 -1.82 -3.42 113.55 104.75 3k8x h SER 1674Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3k8x h SER 1674Cb 0.23 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.61 3k8x h SER 1674CO 0.00 0.00 -0.69 0.68 -1.14 0.00 0.00 176.83 175.68 3k8x s VAL 1675N -3.30 0.33 -0.20 2.27 -7.23 -1.25 -0.41 120.40 110.60 3k8x s VAL 1675Ca 0.06 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3k8x s VAL 1675Cb 0.10 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.64 3k8x s VAL 1675CO 0.49 -0.90 -0.07 -0.76 -0.31 0.00 0.00 175.10 173.55 3k8x s LEU 1676N -2.75 2.76 0.02 1.32 1.43 0.76 -4.89 118.68 117.33 3k8x s LEU 1676Ca 0.05 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 3k8x s LEU 1676Cb 0.05 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 3k8x s LEU 1676CO -0.08 0.00 -0.21 0.42 0.23 0.00 0.00 176.35 176.71 3k8x s THR 1677N 1.33 1.70 -0.20 5.49 -4.23 -1.26 0.05 115.64 118.53 3k8x s THR 1677Ca 0.04 -1.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 3k8x s THR 1677Cb -0.14 -1.45 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 3k8x s THR 1677CO -0.04 0.33 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.61 3k8x s GLU 1678N -0.89 3.40 0.04 3.99 2.12 -0.11 -4.90 118.70 122.35 3k8x s GLU 1678Ca 0.08 -0.63 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 3k8x s GLU 1678Cb -0.09 -2.92 -0.06 0.00 0.26 0.00 0.00 34.13 31.32 3k8x s GLU 1678CO 0.01 -0.08 1.40 0.50 -0.54 0.00 0.00 175.26 176.54 3k8x s ARG 1679N 1.16 4.30 0.12 4.30 3.52 -1.26 -0.73 118.95 130.35 3k8x s ARG 1679Ca 0.02 2.00 -0.01 0.00 -0.13 0.00 0.00 55.73 57.61 3k8x s ARG 1679Cb -0.14 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3k8x s ARG 1679CO -0.01 -0.52 0.02 -0.08 -0.81 0.00 0.00 175.30 173.90 3k8x s THR 1680N 1.94 0.23 -0.12 4.11 -1.32 0.59 -4.96 115.64 116.09 3k8x s THR 1680Ca 0.64 -1.90 -0.00 0.00 -1.21 0.00 0.00 61.69 59.22 3k8x s THR 1680Cb -0.33 -1.92 0.03 0.00 -1.51 0.00 0.00 72.50 68.76 3k8x s THR 1680CO 0.28 -0.61 -0.08 0.68 -2.21 0.00 0.00 174.62 172.68 3k8x s VAL 1681N -3.95 1.11 -0.07 5.08 -7.23 -1.26 0.27 120.40 114.35 3k8x s VAL 1681Ca 0.20 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.00 3k8x s VAL 1681Cb 0.07 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.90 3k8x s VAL 1681CO -0.01 0.35 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.43 3k8x s ILE 1682N 1.67 0.84 -1.35 -0.62 -1.09 0.61 -4.78 121.20 116.47 3k8x s ILE 1682Ca 0.04 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.19 3k8x s ILE 1682Cb -0.13 -0.83 0.01 0.00 -1.58 0.00 0.00 42.46 39.93 3k8x s ILE 1682CO -0.09 0.30 0.67 0.59 -1.23 0.00 0.00 174.94 175.19 3k8x n ASN 1683N 4.25 -1.35 0.00 3.58 4.13 -1.26 -2.16 115.26 122.45 3k8x n ASN 1683Ca -0.20 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.21 3k8x n ASN 1683Cb 0.51 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.91 3k8x n ASN 1683CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k8x n GLY 1684N -1.66 2.08 3.84 7.41 0.00 -1.26 -4.97 105.19 110.63 3k8x n GLY 1684Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3k8x n GLY 1684CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k8x s GLU 1685N 0.00 4.04 -0.01 1.61 2.56 -0.92 -5.06 118.70 120.92 3k8x s GLU 1685Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 54.97 55.32 3k8x s GLU 1685Cb 0.00 -2.87 -0.05 0.00 2.00 0.00 0.00 34.13 33.21 3k8x s GLU 1685CO 0.00 0.43 0.73 -1.83 -0.56 0.00 0.00 175.26 174.03 3k8x s GLU 1686N -2.07 4.45 -0.05 4.30 -1.05 -1.26 -0.28 118.70 122.74 3k8x s GLU 1686Ca 0.41 0.97 0.06 0.00 -0.15 0.00 0.00 54.97 56.26 3k8x s GLU 1686Cb -0.15 -3.40 -0.01 0.00 -0.44 0.00 0.00 34.13 30.13 3k8x s GLU 1686CO 0.20 0.18 -0.25 1.03 0.95 0.00 0.00 175.26 177.36 3k8x s ARG 1687N 0.36 2.45 -0.71 -4.83 0.52 0.14 -4.58 118.95 112.30 3k8x s ARG 1687Ca 0.38 -0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 54.57 3k8x s ARG 1687Cb -0.19 -2.12 0.19 0.00 0.52 0.00 0.00 34.95 33.34 3k8x s ARG 1687CO 0.20 0.41 0.63 -0.06 0.02 0.00 0.00 175.30 176.51 3k8x s PHE 1688N -0.25 3.59 0.15 -0.53 0.08 0.03 -0.30 117.98 120.76 3k8x s PHE 1688Ca -0.01 -2.01 -0.31 0.00 0.12 0.00 0.00 56.93 54.72 3k8x s PHE 1688Cb -0.13 -3.67 -0.10 0.00 -0.57 0.00 0.00 43.02 38.54 3k8x s PHE 1688CO 0.03 -0.97 1.70 0.08 -0.10 0.00 0.00 175.22 175.96 3k8x s VAL 1689N 0.45 2.46 -0.50 -0.44 1.01 0.09 -0.34 120.40 123.12 3k8x s VAL 1689Ca 0.14 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 3k8x s VAL 1689Cb -0.16 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.11 3k8x s VAL 1689CO -0.05 0.01 1.23 -0.63 0.00 0.00 0.00 175.10 175.66 3k8x s ILE 1690N 1.78 4.05 -0.03 2.22 -1.09 -0.37 -0.94 121.20 126.82 3k8x s ILE 1690Ca 0.75 1.02 0.12 0.00 -2.23 0.00 0.00 60.65 60.32 3k8x s ILE 1690Cb -0.46 -4.55 -0.23 0.00 -1.58 0.00 0.00 42.46 35.65 3k8x s ILE 1690CO 0.33 -1.07 0.71 0.11 -1.23 0.00 0.00 174.94 173.79 3k8x h LYS 1691N 9.79 0.00 -2.13 2.79 1.79 -0.71 -3.44 116.57 124.66 3k8x h LYS 1691Ca -0.25 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.17 3k8x h LYS 1691Cb 1.07 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.51 3k8x h LYS 1691CO 1.14 0.52 0.06 0.99 -1.08 0.00 0.00 179.45 181.08 3k8x s THR 1692N -2.62 -0.00 -0.21 -0.16 2.01 -1.09 -4.98 115.64 108.60 3k8x s THR 1692Ca -0.04 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.82 3k8x s THR 1692Cb 0.08 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 3k8x s THR 1692CO 0.82 0.00 0.32 -0.63 -0.69 0.00 0.00 174.62 174.44 3k8x s ILE 1693N 0.42 5.26 -0.26 1.82 1.01 -1.26 -0.17 121.20 128.02 3k8x s ILE 1693Ca -0.01 0.54 -0.15 0.00 0.00 0.00 0.00 60.65 61.03 3k8x s ILE 1693Cb -0.05 -3.65 -0.12 0.00 0.01 0.00 0.00 42.46 38.65 3k8x s ILE 1693CO -0.00 0.30 -0.29 -0.38 0.00 0.00 0.00 174.94 174.57 3k8x n ILE 1694N 4.22 1.53 0.00 2.92 2.08 0.45 -4.97 119.36 125.58 3k8x n ILE 1694Ca -0.11 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 62.90 3k8x n ILE 1694Cb 0.51 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 3k8x n ILE 1694CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k8x n GLY 1695N 1.29 -1.92 0.09 7.39 0.00 -0.61 -4.86 105.19 106.57 3k8x n GLY 1695Ca -0.49 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.23 0.74 -4.71 1.61 3.41 -1.26 -4.73 113.62 107.45 3k8x n SER 1696Ca 0.00 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 3k8x n SER 1696Cb 0.00 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3k8x n SER 1696CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k8x s GLU 1697N -2.96 4.46 -0.31 4.33 2.12 -1.26 -4.99 118.70 120.09 3k8x s GLU 1697Ca -0.04 1.65 -0.20 0.00 0.36 0.00 0.00 54.97 56.75 3k8x s GLU 1697Cb 0.09 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 3k8x s GLU 1697CO 0.82 -0.22 0.61 0.34 -0.54 0.00 0.00 175.26 176.27 3k8x s ASP 1698N 1.09 6.47 0.00 -1.70 2.15 -1.26 -4.44 116.67 118.98 3k8x s ASP 1698Ca 0.56 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.93 3k8x s ASP 1698Cb -0.26 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 3k8x s ASP 1698CO 0.28 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 3k8x n GLY 1699N 4.46 0.72 0.08 2.66 0.00 -1.26 -4.85 105.19 107.01 3k8x n GLY 1699Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 0.18 0.00 0.99 4.77 -1.26 -4.19 117.00 117.48 3k8x n LEU 1700Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3k8x n LEU 1700Cb 0.00 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3k8x n LEU 1700CO 0.00 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3k8x n GLY 1701N 2.07 1.86 0.31 -0.72 0.00 -1.26 -2.24 105.19 105.21 3k8x n GLY 1701Ca -0.26 0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 0.65 0.00 1.61 -1.51 -1.98 0.14 116.25 115.16 3k8x h VAL 1702Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 3k8x h VAL 1702Cb 0.00 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.06 3k8x h VAL 1702CO 0.00 0.00 -0.16 1.05 -1.23 0.00 0.00 177.57 177.23 3k8x h GLU 1703N 0.00 0.00 0.01 5.19 9.09 -1.97 -0.01 114.58 126.89 3k8x h GLU 1703Ca 0.06 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.25 3k8x h GLU 1703Cb 0.30 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.37 3k8x h GLU 1703CO -0.00 0.16 -1.05 0.00 0.05 0.00 0.00 179.01 178.17 3k8x h LEU 1705N 0.01 0.36 -0.15 0.00 3.38 -1.02 -2.12 115.31 115.76 3k8x h LEU 1705Ca -0.03 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3k8x h LEU 1705Cb 1.80 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 3k8x h LEU 1705CO 0.14 0.46 0.08 -0.09 0.09 0.00 0.00 178.44 179.12 3k8x h ARG 1706N 0.23 0.17 0.00 1.13 2.43 -1.10 -1.86 114.38 115.38 3k8x h ARG 1706Ca 0.08 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3k8x h ARG 1706Cb 0.23 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3k8x h ARG 1706CO -0.00 0.11 -0.27 0.78 -1.51 0.00 0.00 179.97 179.08 3k8x h GLY 1707N 0.18 0.00 0.75 2.80 0.00 -1.51 -1.15 103.07 104.13 3k8x h GLY 1707Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3k8x h GLY 1707CO -0.03 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 178.16 3k8x h SER 1708N 0.00 0.36 -0.88 0.19 0.02 -1.02 -2.92 113.55 109.29 3k8x h SER 1708Ca -0.00 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 3k8x h SER 1708Cb 0.57 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 3k8x h SER 1708CO 0.04 0.74 0.56 1.23 -1.14 0.00 0.00 176.83 178.26 3k8x h GLY 1709N -0.01 1.30 0.63 -3.77 0.00 -0.85 -0.27 103.07 100.09 3k8x h GLY 1709Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.98 3k8x h GLY 1709CO 0.03 0.34 -0.01 -2.00 0.00 0.00 0.00 176.54 174.91 3k8x h LEU 1710N 1.08 -0.10 0.00 3.11 5.85 -1.23 -1.26 115.31 122.75 3k8x h LEU 1710Ca 0.36 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 3k8x h LEU 1710Cb 0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3k8x h LEU 1710CO -0.13 -0.02 -0.23 0.16 -0.34 0.00 0.00 178.44 177.88 3k8x h ILE 1711N 0.07 0.31 -0.05 4.05 3.07 -1.26 -0.13 117.51 123.57 3k8x h ILE 1711Ca 0.11 -1.45 -0.01 0.00 1.55 0.00 0.00 64.86 65.06 3k8x h ILE 1711Cb 0.15 2.14 -0.00 0.00 -0.27 0.00 0.00 36.82 38.83 3k8x h ILE 1711CO -0.19 0.18 -0.02 0.00 -1.05 0.00 0.00 178.15 177.07 3k8x h ALA 1712N 1.81 0.06 -0.34 0.16 0.00 -0.77 -1.79 119.26 118.40 3k8x h ALA 1712Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3k8x h ALA 1712Cb 1.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3k8x h ALA 1712CO 0.02 -0.21 -0.07 0.78 0.00 0.00 0.00 179.25 179.77 3k8x h GLY 1713N -0.28 0.61 1.64 0.00 0.00 -1.16 -1.08 103.07 102.80 3k8x h GLY 1713Ca 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 3k8x h GLY 1713CO 0.01 0.37 -0.22 0.00 0.00 0.00 0.00 176.54 176.70 3k8x h ALA 1714N 1.40 1.18 0.24 3.60 0.00 -0.87 -2.47 119.26 122.34 3k8x h ALA 1714Ca 0.10 -0.32 -0.34 0.00 0.00 0.00 0.00 54.91 54.36 3k8x h ALA 1714Cb 0.44 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.15 3k8x h ALA 1714CO 0.02 0.52 -1.52 1.15 0.00 0.00 0.00 179.25 179.42 3k8x h THR 1715N 0.38 1.21 -0.70 0.00 2.02 -0.98 -2.09 112.91 112.75 3k8x h THR 1715Ca 0.06 -2.65 0.15 0.00 0.77 0.00 0.00 66.41 64.74 3k8x h THR 1715Cb 0.61 2.99 -0.11 0.00 -1.74 0.00 0.00 68.15 69.90 3k8x h THR 1715CO 0.04 0.82 0.15 -1.28 0.37 0.00 0.00 175.52 175.62 3k8x h SER 1716N 0.11 -0.01 -0.22 4.18 0.87 -1.15 -1.39 113.55 115.94 3k8x h SER 1716Ca -0.28 0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.28 3k8x h SER 1716Cb 2.14 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 64.28 3k8x h SER 1716CO 0.25 -0.03 -0.39 0.03 -0.53 0.00 0.00 176.83 176.15 3k8x h ARG 1717N 0.26 0.76 -0.39 2.24 3.08 -1.42 -3.26 114.38 115.65 3k8x h ARG 1717Ca 0.39 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3k8x h ARG 1717Cb 0.65 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3k8x h ARG 1717CO -0.49 1.02 0.13 0.00 -1.07 0.00 0.00 179.97 179.55 3k8x h ALA 1718N 0.94 0.51 -1.02 0.04 0.00 -0.81 -2.55 119.26 116.36 3k8x h ALA 1718Ca 0.05 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.05 3k8x h ALA 1718Cb 0.94 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 3k8x h ALA 1718CO 0.09 0.14 0.63 -0.92 0.00 0.00 0.00 179.25 179.19 3k8x h TYR 1719N 0.48 0.84 -0.01 0.00 5.03 -1.32 0.31 116.97 122.31 3k8x h TYR 1719Ca 0.13 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.46 3k8x h TYR 1719Cb 0.24 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.27 3k8x h TYR 1719CO 0.01 0.09 -0.01 0.72 -1.32 0.00 0.00 178.16 177.64 3k8x n HIS 1720N -4.74 0.00 0.00 -3.82 8.25 -0.97 -4.16 115.22 109.78 3k8x n HIS 1720Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 3k8x n HIS 1720Cb 0.79 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.60 1.61 -4.24 0.41 -0.08 0.01 -4.93 116.55 108.74 3k8x n ASP 1721Ca 0.21 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.36 3k8x n ASP 1721Cb 0.21 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.57 3k8x n ASP 1721CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3k8x s ILE 1722N -1.91 0.63 -0.02 5.18 -4.36 0.88 -4.84 121.20 116.76 3k8x s ILE 1722Ca 0.00 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 3k8x s ILE 1722Cb 0.00 -2.14 -0.06 0.00 1.25 0.00 0.00 42.46 41.51 3k8x s ILE 1722CO 0.00 -0.45 1.66 0.12 0.24 0.00 0.00 174.94 176.50 3k8x s PHE 1723N -3.69 2.07 -0.01 1.37 5.36 -1.26 -4.38 117.98 117.44 3k8x s PHE 1723Ca 0.25 0.21 0.07 0.00 -0.96 0.00 0.00 56.93 56.50 3k8x s PHE 1723Cb 0.06 -3.93 -0.02 0.00 -0.34 0.00 0.00 43.02 38.79 3k8x s PHE 1723CO 0.04 -3.87 -0.23 0.95 -1.46 0.00 0.00 175.22 170.65 3k8x s THR 1724N 3.71 2.32 -0.14 0.12 -4.23 -1.26 -1.40 115.64 114.75 3k8x s THR 1724Ca 0.74 -1.07 -0.20 0.00 -1.18 0.00 0.00 61.69 59.98 3k8x s THR 1724Cb -0.35 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 71.69 3k8x s THR 1724CO 0.31 0.54 0.51 -0.51 -0.54 0.00 0.00 174.62 174.92 3k8x s ILE 1725N -0.68 0.01 -0.07 2.99 2.07 -1.05 -4.18 121.20 120.30 3k8x s ILE 1725Ca 0.11 -0.09 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 3k8x s ILE 1725Cb -0.10 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 3k8x s ILE 1725CO 0.00 -0.05 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.86 3k8x s THR 1726N -0.25 1.94 -0.31 4.00 2.01 -0.06 -1.06 115.64 121.91 3k8x s THR 1726Ca -0.04 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 60.87 3k8x s THR 1726Cb -0.03 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 3k8x s THR 1726CO 0.03 0.54 0.16 -0.22 -0.69 0.00 0.00 174.62 174.44 3k8x s LEU 1727N 0.01 4.10 -0.76 4.42 2.96 0.19 -0.79 118.68 128.81 3k8x s LEU 1727Ca -0.08 -0.40 -0.23 0.00 -0.22 0.00 0.00 54.13 53.20 3k8x s LEU 1727Cb -0.14 -2.03 0.07 0.00 0.50 0.00 0.00 46.19 44.58 3k8x s LEU 1727CO 0.05 -0.17 1.13 -0.69 -1.32 0.00 0.00 176.35 175.35 3k8x s VAL 1728N 1.65 4.18 -0.24 1.68 1.01 0.13 -0.61 120.40 128.20 3k8x s VAL 1728Ca 0.05 -0.39 0.22 0.00 0.00 0.00 0.00 61.98 61.87 3k8x s VAL 1728Cb -0.17 -4.81 -0.26 0.00 0.00 0.00 0.00 36.38 31.14 3k8x s VAL 1728CO 0.07 -1.63 0.66 1.07 0.00 0.00 0.00 175.10 175.27 3k8x n THR 1729N 6.10 0.09 -4.05 3.92 5.66 -0.67 -1.60 114.28 123.72 3k8x n THR 1729Ca 0.06 -0.41 -0.13 0.00 -3.05 0.00 0.00 64.05 60.52 3k8x n THR 1729Cb 0.48 0.11 -0.04 0.00 -1.55 0.00 0.00 70.33 69.33 3k8x n THR 1729CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k8x n ARG 1731N -0.53 0.80 -4.14 0.00 0.00 -1.26 -4.57 116.66 106.96 3k8x n ARG 1731Ca -0.00 0.29 -0.29 0.00 -0.00 0.00 0.00 57.85 57.85 3k8x n ARG 1731Cb 0.61 -1.63 -0.17 0.00 -0.00 0.00 0.00 32.46 31.28 3k8x n ARG 1731CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3k8x s SER 1732N -0.85 2.48 -0.05 2.89 0.15 -0.33 -1.25 113.70 116.74 3k8x s SER 1732Ca 0.63 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.90 3k8x s SER 1732Cb -0.64 -1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 3k8x s SER 1732CO 0.58 -0.05 -0.20 -0.69 1.20 0.00 0.00 173.24 174.09 3k8x s VAL 1733N 1.36 1.64 0.00 4.45 1.01 -1.26 -1.19 120.40 126.41 3k8x s VAL 1733Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3k8x s VAL 1733Cb -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3k8x s VAL 1733CO -0.07 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3k8x n GLY 1734N 3.06 3.66 0.40 4.51 0.00 0.08 -0.48 105.19 116.42 3k8x n GLY 1734Ca -0.18 0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 0.70 -0.84 -0.61 6.09 -1.93 -0.34 117.51 120.58 3k8x h ILE 1735Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 3k8x h ILE 1735Cb 0.00 0.26 -0.04 0.00 0.47 0.00 0.00 36.82 37.51 3k8x h ILE 1735CO 0.00 0.07 0.53 1.23 -3.07 0.00 0.00 178.15 176.91 3k8x h GLY 1736N 0.40 1.21 0.81 8.18 0.00 -1.11 -1.15 103.07 111.41 3k8x h GLY 1736Ca 0.45 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3k8x h GLY 1736CO -0.16 0.47 -0.16 0.00 0.00 0.00 0.00 176.54 176.69 3k8x h ALA 1737N 1.29 0.28 -0.70 3.60 0.00 -1.19 -3.00 119.26 119.54 3k8x h ALA 1737Ca 0.31 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3k8x h ALA 1737Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3k8x h ALA 1737CO -0.06 0.18 0.46 1.88 0.00 0.00 0.00 179.25 181.71 3k8x h TYR 1738N 0.13 0.66 -0.15 0.00 -1.99 -1.01 -1.96 116.97 112.65 3k8x h TYR 1738Ca 0.04 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 3k8x h TYR 1738Cb 0.68 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 3k8x h TYR 1738CO 0.08 0.33 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.20 3k8x h LEU 1739N 0.64 0.29 -0.82 3.88 3.38 -1.16 0.87 115.31 122.39 3k8x h LEU 1739Ca 0.32 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3k8x h LEU 1739Cb 0.40 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3k8x h LEU 1739CO -0.11 0.58 0.35 -0.37 0.09 0.00 0.00 178.44 178.98 3k8x h VAL 1740N 0.25 1.26 0.04 1.22 -1.51 -1.21 -2.55 116.25 113.76 3k8x h VAL 1740Ca 0.04 -0.79 -0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3k8x h VAL 1740Cb 0.65 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 3k8x h VAL 1740CO 0.05 0.33 -0.02 -0.09 -1.23 0.00 0.00 177.57 176.61 3k8x h ARG 1741N 1.18 -0.06 -0.94 5.19 1.12 -1.30 -3.09 114.38 116.48 3k8x h ARG 1741Ca 0.27 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 59.24 3k8x h ARG 1741Cb 0.18 0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.09 3k8x h ARG 1741CO -0.03 0.38 0.60 -0.07 -3.11 0.00 0.00 179.97 177.75 3k8x h LEU 1742N -0.51 0.88 0.00 3.80 3.38 -0.77 1.17 115.31 123.26 3k8x h LEU 1742Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k8x h LEU 1742Cb 0.46 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3k8x h LEU 1742CO 0.01 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.67 3k8x n GLY 1743N -1.39 -0.99 5.00 0.83 0.00 -0.97 -4.43 105.19 103.24 3k8x n GLY 1743Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.14 0.00 -2.46 1.61 1.13 0.40 -4.40 117.38 112.52 3k8x n GLN 1744Ca 0.16 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.80 3k8x n GLN 1744Cb 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.47 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 4.39 -0.10 -1.09 0.52 -1.26 -4.81 118.95 116.60 3k8x s ARG 1745Ca 0.00 1.69 -0.07 0.00 -0.52 0.00 0.00 55.73 56.83 3k8x s ARG 1745Cb 0.00 -3.48 0.04 0.00 0.52 0.00 0.00 34.95 32.03 3k8x s ARG 1745CO 0.00 -0.35 0.25 0.00 0.02 0.00 0.00 175.30 175.22 3k8x s ALA 1746N 1.72 -0.59 -0.19 2.13 0.00 -1.26 -0.88 121.76 122.70 3k8x s ALA 1746Ca 0.57 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3k8x s ALA 1746Cb -0.26 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3k8x s ALA 1746CO 0.25 -0.17 -0.18 0.42 0.00 0.00 0.00 175.76 176.08 3k8x s ILE 1747N 0.83 2.23 -0.24 0.00 1.01 0.03 0.00 121.20 125.07 3k8x s ILE 1747Ca -0.06 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 3k8x s ILE 1747Cb -0.07 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3k8x s ILE 1747CO -0.05 0.52 0.09 -1.58 0.00 0.00 0.00 174.94 173.92 3k8x s GLN 1748N 1.31 3.80 0.13 2.79 0.74 -0.57 -0.69 119.66 127.18 3k8x s GLN 1748Ca 0.05 -0.41 -0.31 0.00 0.05 0.00 0.00 55.36 54.75 3k8x s GLN 1748Cb -0.13 -3.37 -0.08 0.00 1.10 0.00 0.00 33.01 30.53 3k8x s GLN 1748CO -0.12 -0.06 1.31 0.08 -0.55 0.00 0.00 175.29 175.95 3k8x s VAL 1749N 1.31 3.45 0.15 1.34 1.01 -0.63 -1.42 120.40 125.61 3k8x s VAL 1749Ca 0.05 1.09 -0.34 0.00 0.00 0.00 0.00 61.98 62.79 3k8x s VAL 1749Cb -0.15 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.38 3k8x s VAL 1749CO 0.04 0.11 1.41 -0.62 0.00 0.00 0.00 175.10 176.04 3k8x n GLU 1750N 3.48 1.64 -0.62 2.72 1.02 0.12 -1.48 120.64 127.53 3k8x n GLU 1750Ca 0.09 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3k8x n GLU 1750Cb 0.43 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 2.69 1.12 3.37 0.62 0.00 -1.26 -4.98 105.19 106.75 3k8x n GLY 1751Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.25 3.06 0.45 1.61 -1.52 -0.55 -4.94 119.66 117.52 3k8x s GLN 1752Ca 0.00 -0.89 -0.15 0.00 -1.95 0.00 0.00 55.36 52.37 3k8x s GLN 1752Cb 0.00 -3.50 -0.08 0.00 -0.22 0.00 0.00 33.01 29.21 3k8x s GLN 1752CO 0.00 -0.50 0.89 -1.25 -0.25 0.00 0.00 175.29 174.17 3k8x s PRO 1753N 1.53 3.94 -0.25 2.91 0.04 -1.26 -4.74 135.00 137.17 3k8x s PRO 1753Ca 0.03 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 61.86 3k8x s PRO 1753Cb -0.18 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.14 3k8x s PRO 1753CO 0.04 -0.12 -0.05 0.42 0.04 0.00 0.00 177.00 177.33 3k8x s ILE 1754N -2.42 2.88 0.03 0.56 1.01 0.30 -1.19 121.20 122.37 3k8x s ILE 1754Ca 0.57 -1.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 3k8x s ILE 1754Cb -0.10 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3k8x s ILE 1754CO 0.27 0.16 0.11 0.27 0.00 0.00 0.00 174.94 175.75 3k8x s ILE 1755N 1.31 0.12 -0.18 2.92 -4.36 -0.34 -4.14 121.20 116.54 3k8x s ILE 1755Ca -0.01 -0.98 -0.21 0.00 -0.26 0.00 0.00 60.65 59.19 3k8x s ILE 1755Cb -0.17 -0.76 -0.19 0.00 1.25 0.00 0.00 42.46 42.60 3k8x s ILE 1755CO -0.04 -0.54 0.31 -0.07 0.24 0.00 0.00 174.94 174.84 3k8x h LEU 1756N 3.83 0.00 -8.37 0.37 3.38 -1.91 0.27 115.31 112.89 3k8x h LEU 1756Ca -0.32 -0.57 -0.18 0.00 0.09 0.00 0.00 57.88 56.90 3k8x h LEU 1756Cb 1.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 3k8x h LEU 1756CO 0.47 1.25 -0.69 0.42 0.09 0.00 0.00 178.44 179.99 3k8x s THR 1757N -2.28 0.46 0.67 0.22 -4.23 -1.26 -3.80 115.64 105.41 3k8x s THR 1757Ca -0.24 -1.88 -0.15 0.00 -1.18 0.00 0.00 61.69 58.24 3k8x s THR 1757Cb 0.03 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.22 3k8x s THR 1757CO 0.56 -0.89 1.11 -0.83 -0.54 0.00 0.00 174.62 174.03 3k8x s GLY 1758N -3.00 2.11 0.17 3.99 0.00 -1.26 -4.90 107.32 104.44 3k8x s GLY 1758Ca 0.11 0.52 -0.18 0.00 0.00 0.00 0.00 44.72 45.17 3k8x s GLY 1758CO -0.06 0.87 1.63 0.00 0.00 0.00 0.00 173.10 175.54 3k8x h ALA 1759N -0.06 0.13 -0.53 3.20 0.00 -1.92 -2.67 119.26 117.41 3k8x h ALA 1759Ca -0.46 0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.70 3k8x h ALA 1759Cb 1.24 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 3k8x h ALA 1759CO 0.54 -0.55 0.04 -1.35 0.00 0.00 0.00 179.25 177.93 3k8x h PRO 1760N -0.11 0.16 -0.20 0.00 0.11 -1.93 0.47 132.00 130.49 3k8x h PRO 1760Ca 0.21 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 3k8x h PRO 1760Cb 0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3k8x h PRO 1760CO -0.50 0.10 0.02 0.00 -0.21 0.00 0.00 178.00 177.42 3k8x h ALA 1761N 1.45 1.68 0.06 -0.75 0.00 -1.88 -2.06 119.26 117.76 3k8x h ALA 1761Ca 0.27 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3k8x h ALA 1761Cb 0.40 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3k8x h ALA 1761CO -0.41 0.25 -0.60 0.82 0.00 0.00 0.00 179.25 179.31 3k8x h ILE 1762N 0.28 1.51 -0.99 0.00 2.04 -0.83 -3.20 117.51 116.32 3k8x h ILE 1762Ca 0.07 -2.27 0.25 0.00 1.00 0.00 0.00 64.86 63.91 3k8x h ILE 1762Cb 0.15 2.93 -0.13 0.00 -0.74 0.00 0.00 36.82 39.04 3k8x h ILE 1762CO 0.00 0.64 0.56 0.78 0.00 0.00 0.00 178.15 180.13 3k8x h ASN 1763N -0.33 0.61 0.04 1.72 2.35 -0.74 -2.14 115.58 117.09 3k8x h ASN 1763Ca -0.09 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3k8x h ASN 1763Cb 1.38 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.78 3k8x h ASN 1763CO 0.11 0.07 -0.31 0.50 -1.65 0.00 0.00 177.43 176.15 3k8x h LYS 1764N 0.54 -0.40 0.00 0.81 1.63 -1.37 0.61 116.57 118.38 3k8x h LYS 1764Ca 0.64 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.47 3k8x h LYS 1764Cb 1.23 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 3k8x h LYS 1764CO -0.49 -0.27 0.00 0.00 -3.45 0.00 0.00 179.45 175.24 3k8x n MET 1765N -4.22 0.05 0.03 1.90 0.00 -0.87 -1.90 117.12 112.10 3k8x n MET 1765Ca -0.05 0.19 0.06 0.00 0.00 0.00 0.00 57.70 57.90 3k8x n MET 1765Cb 0.24 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.87 3k8x n MET 1765CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3k8x n LEU 1766N -1.46 0.51 0.00 3.17 4.77 -0.86 -5.02 117.00 118.11 3k8x n LEU 1766Ca 0.05 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3k8x n LEU 1766Cb 0.19 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3k8x n LEU 1766CO 0.15 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3k8x n GLY 1767N 1.33 3.09 3.80 -0.72 0.00 0.17 -5.03 105.19 107.82 3k8x n GLY 1767Ca -0.08 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 3k8x n GLY 1767CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k8x s ARG 1768N 0.00 2.22 -1.35 1.61 1.70 -1.24 -4.93 118.95 116.97 3k8x s ARG 1768Ca 0.00 -2.10 -0.11 0.00 -0.47 0.00 0.00 55.73 53.05 3k8x s ARG 1768Cb 0.00 -1.86 0.12 0.00 -0.57 0.00 0.00 34.95 32.64 3k8x s ARG 1768CO 0.00 -0.37 2.00 -1.91 -1.08 0.00 0.00 175.30 173.94 3k8x n GLU 1769N -1.42 3.34 -0.10 3.89 4.07 -1.26 -4.58 120.64 124.58 3k8x n GLU 1769Ca -0.07 -3.19 -0.09 0.00 -0.06 0.00 0.00 57.16 53.75 3k8x n GLU 1769Cb 0.65 -3.06 0.07 0.00 -0.06 0.00 0.00 31.44 29.04 3k8x n GLU 1769CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 3k8x h VAL 1770N 3.85 1.27 -3.39 6.31 3.04 -1.93 -3.44 116.25 121.96 3k8x h VAL 1770Ca 0.46 -1.37 -0.64 0.00 -1.01 0.00 0.00 66.70 64.14 3k8x h VAL 1770Cb 0.64 1.22 -0.23 0.00 -2.01 0.00 0.00 31.29 30.91 3k8x h VAL 1770CO 1.72 0.46 -0.66 -0.31 -1.01 0.00 0.00 177.57 177.76 3k8x s TYR 1771N -4.58 3.03 -0.08 3.17 1.51 -1.26 -4.91 117.35 114.23 3k8x s TYR 1771Ca -0.10 -0.43 -0.26 0.00 -1.01 0.00 0.00 57.07 55.28 3k8x s TYR 1771Cb 0.13 -2.05 -0.26 0.00 -0.11 0.00 0.00 41.96 39.67 3k8x s TYR 1771CO 0.84 -0.19 0.92 1.15 -1.11 0.00 0.00 175.55 177.16 3k8x h THR 1772N 5.32 1.62 -3.94 -0.71 2.02 -1.97 -3.45 112.91 111.81 3k8x h THR 1772Ca -0.35 -2.17 -0.20 0.00 0.77 0.00 0.00 66.41 64.46 3k8x h THR 1772Cb 1.18 3.05 -0.15 0.00 -1.74 0.00 0.00 68.15 70.49 3k8x h THR 1772CO 0.62 0.59 -0.69 -0.94 0.37 0.00 0.00 175.52 175.46 3k8x s SER 1773N -6.39 0.93 0.48 4.18 1.04 -1.26 -5.01 113.70 107.67 3k8x s SER 1773Ca -0.17 -0.97 0.22 0.00 0.48 0.00 0.00 55.95 55.52 3k8x s SER 1773Cb -0.00 0.12 1.26 0.00 0.10 0.00 0.00 66.02 67.49 3k8x s SER 1773CO 0.74 -0.48 1.93 0.78 0.98 0.00 0.00 173.24 177.18 3k8x h ASN 1774N 3.13 0.19 0.37 7.02 -0.26 -1.97 -2.67 115.58 121.39 3k8x h ASN 1774Ca -0.35 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 3k8x h ASN 1774Cb 1.16 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 38.40 3k8x h ASN 1774CO 0.63 0.09 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.97 3k8x h LEU 1775N 0.20 0.00 -1.26 1.61 3.38 -1.95 0.12 115.31 117.41 3k8x h LEU 1775Ca 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 3k8x h LEU 1775Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3k8x h LEU 1775CO -0.07 0.06 -0.20 1.56 0.09 0.00 0.00 178.44 179.88 3k8x h GLN 1776N 0.00 0.00 0.02 1.13 4.20 -1.87 -0.65 115.11 117.94 3k8x h GLN 1776Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 3k8x h GLN 1776Cb 0.26 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 3k8x h GLN 1776CO 0.01 0.20 -2.10 1.28 -0.67 0.00 0.00 178.83 177.55 3k8x n LEU 1777N -3.41 1.10 -0.73 1.46 4.77 0.33 -4.80 117.00 115.71 3k8x n LEU 1777Ca -0.00 0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 3k8x n LEU 1777Cb 0.39 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3k8x n LEU 1777CO 0.32 0.57 0.25 0.61 -1.33 0.00 0.00 177.39 177.81 3k8x n GLY 1778N 1.78 0.77 3.80 -0.72 0.00 -0.65 -4.93 105.19 105.23 3k8x n GLY 1778Ca -0.29 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.70 1.72 0.53 -0.02 0.00 -0.25 -0.54 107.32 108.05 3k8x s GLY 1779Ca 0.04 -1.18 0.20 0.00 0.00 0.00 0.00 44.72 43.78 3k8x s GLY 1779CO -0.02 -0.33 2.15 -0.91 0.00 0.00 0.00 173.10 173.99 3k8x h THR 1780N -2.10 0.88 0.00 0.90 1.35 -1.86 0.21 112.91 112.29 3k8x h THR 1780Ca -0.44 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3k8x h THR 1780Cb 1.25 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3k8x h THR 1780CO 0.33 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.63 3k8x n GLN 1781N -4.29 0.13 -0.10 4.72 -0.00 -1.26 -1.17 117.38 115.40 3k8x n GLN 1781Ca -0.03 0.47 -0.15 0.00 -0.00 0.00 0.00 57.00 57.30 3k8x n GLN 1781Cb 0.12 -1.82 -0.05 0.00 -0.00 0.00 0.00 30.24 28.49 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 -2.08 1.51 0.05 -0.39 2.08 -0.00 -4.40 119.36 116.13 3k8x n ILE 1782Ca 0.01 -0.01 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 3k8x n ILE 1782Cb 0.14 -2.21 -0.12 0.00 -0.75 0.00 0.00 39.64 36.69 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 0.00 -0.07 0.38 2.86 -1.35 -0.55 114.93 115.20 3k8x h MET 1783Ca -0.21 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.28 3k8x h MET 1783Cb 1.17 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.84 3k8x h MET 1783CO -0.13 0.96 -0.54 -0.92 1.06 0.00 0.00 176.91 177.34 3k8x h TYR 1784N 0.00 0.68 0.00 -0.22 3.20 -1.34 0.46 116.97 119.75 3k8x h TYR 1784Ca -0.04 -0.32 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 3k8x h TYR 1784Cb 1.79 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.96 3k8x h TYR 1784CO 0.00 1.11 -0.11 -0.91 -1.64 0.00 0.00 178.16 176.61 3k8x h ASN 1785N 0.06 0.00 0.77 -2.11 4.21 -1.56 -3.03 115.58 113.92 3k8x h ASN 1785Ca -0.05 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.27 3k8x h ASN 1785Cb 1.20 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.38 3k8x h ASN 1785CO 0.11 0.11 -0.90 0.78 -1.29 0.00 0.00 177.43 176.24 3k8x h ASN 1786N 0.00 0.10 0.00 5.81 -0.26 -1.11 -3.39 115.58 116.73 3k8x h ASN 1786Ca -0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3k8x h ASN 1786Cb 0.41 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 3k8x h ASN 1786CO 0.01 0.94 0.00 0.61 -1.06 0.00 0.00 177.43 177.94 3k8x n GLY 1787N 0.98 0.75 0.23 2.83 0.00 -1.05 -4.91 105.19 104.01 3k8x n GLY 1787Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 1.29 -3.43 1.61 2.07 -1.49 -3.42 116.25 112.89 3k8x h VAL 1788Ca 0.00 -1.57 -0.61 0.00 0.82 0.00 0.00 66.70 65.34 3k8x h VAL 1788Cb 0.00 1.60 -0.13 0.00 -1.52 0.00 0.00 31.29 31.24 3k8x h VAL 1788CO 0.00 0.51 -0.50 -0.44 0.02 0.00 0.00 177.57 177.16 3k8x s SER 1789N -6.72 6.14 0.03 0.57 0.01 0.15 -4.51 113.70 109.38 3k8x s SER 1789Ca -0.12 0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.23 3k8x s SER 1789Cb 0.09 -2.09 -0.30 0.00 0.21 0.00 0.00 66.02 63.93 3k8x s SER 1789CO 0.86 0.12 0.98 0.45 0.41 0.00 0.00 173.24 176.06 3k8x h HIS 1790N 7.09 0.63 -4.02 2.43 3.86 -0.68 -3.39 115.15 121.08 3k8x h HIS 1790Ca -0.39 -0.46 -0.17 0.00 -1.16 0.00 0.00 60.37 58.19 3k8x h HIS 1790Cb 1.16 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 29.45 3k8x h HIS 1790CO 0.62 1.42 -0.69 -0.51 0.86 0.00 0.00 177.93 179.63 3k8x s LEU 1791N -7.22 2.49 0.13 2.43 1.43 -1.06 -1.19 118.68 115.68 3k8x s LEU 1791Ca -0.08 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.11 3k8x s LEU 1791Cb 0.06 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 3k8x s LEU 1791CO 0.89 -0.52 -0.12 -0.89 0.23 0.00 0.00 176.35 175.93 3k8x s THR 1792N -3.71 3.17 0.02 5.49 2.01 -1.26 -1.52 115.64 119.85 3k8x s THR 1792Ca 0.09 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 60.67 3k8x s THR 1792Cb 0.06 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 3k8x s THR 1792CO -0.07 0.05 -0.05 0.00 -0.69 0.00 0.00 174.62 173.86 3k8x s ALA 1793N -1.31 0.37 0.12 7.40 0.00 -0.51 -4.87 121.76 122.95 3k8x s ALA 1793Ca 0.21 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 3k8x s ALA 1793Cb -0.10 0.04 -0.12 0.00 0.00 0.00 0.00 23.12 22.94 3k8x s ALA 1793CO 0.13 -0.03 1.32 0.28 0.00 0.00 0.00 175.76 177.46 3k8x h VAL 1794N 4.70 1.30 -3.21 0.00 2.07 -1.93 0.35 116.25 119.53 3k8x h VAL 1794Ca -0.32 -2.04 -0.15 0.00 0.82 0.00 0.00 66.70 65.01 3k8x h VAL 1794Cb 1.20 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 3k8x h VAL 1794CO 0.43 0.64 -0.03 -0.90 0.02 0.00 0.00 177.57 177.74 3k8x n ASP 1795N -3.91 -1.10 -0.05 0.57 3.85 -1.26 -4.54 116.55 110.10 3k8x n ASP 1795Ca -0.07 -2.25 -0.10 0.00 -0.71 0.00 0.00 54.79 51.66 3k8x n ASP 1795Cb 0.75 1.98 -0.03 0.00 -1.35 0.00 0.00 41.12 42.47 3k8x n ASP 1795CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3k8x h ASP 1796N 1.36 0.26 -0.30 -1.12 3.32 -1.93 -0.95 116.42 117.05 3k8x h ASP 1796Ca -0.20 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.86 3k8x h ASP 1796Cb 0.83 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 3k8x h ASP 1796CO 0.26 0.22 0.03 0.25 -1.72 0.00 0.00 179.24 178.28 3k8x h LEU 1797N 0.27 -0.06 -1.25 1.55 5.85 -1.97 0.19 115.31 119.89 3k8x h LEU 1797Ca 0.08 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3k8x h LEU 1797Cb 0.01 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3k8x h LEU 1797CO -0.02 0.01 0.51 0.00 -0.34 0.00 0.00 178.44 178.60 3k8x h ALA 1798N 1.25 1.46 -0.63 1.25 0.00 -1.93 0.12 119.26 120.78 3k8x h ALA 1798Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3k8x h ALA 1798Cb 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3k8x h ALA 1798CO -0.22 0.50 0.19 0.78 0.00 0.00 0.00 179.25 180.49 3k8x h GLY 1799N 1.03 1.05 1.29 0.00 0.00 0.17 -1.84 103.07 104.77 3k8x h GLY 1799Ca 0.28 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3k8x h GLY 1799CO -0.06 0.59 -0.22 -2.08 0.00 0.00 0.00 176.54 174.77 3k8x h VAL 1800N 0.90 1.27 -0.69 4.60 2.07 0.24 -2.38 116.25 122.26 3k8x h VAL 1800Ca 0.20 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 3k8x h VAL 1800Cb 0.31 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3k8x h VAL 1800CO -0.00 0.45 0.42 -0.33 0.02 0.00 0.00 177.57 178.13 3k8x h GLU 1801N 0.71 0.93 -0.51 1.57 5.08 -0.65 -1.51 114.58 120.20 3k8x h GLU 1801Ca 0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3k8x h GLU 1801Cb 0.75 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3k8x h GLU 1801CO 0.06 0.66 0.29 0.87 -1.00 0.00 0.00 179.01 179.89 3k8x h LYS 1802N 0.93 0.71 -0.31 2.33 1.57 -1.14 0.04 116.57 120.69 3k8x h LYS 1802Ca 0.25 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 3k8x h LYS 1802Cb -0.04 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.07 3k8x h LYS 1802CO -0.05 0.54 -0.07 0.82 -0.57 0.00 0.00 179.45 180.12 3k8x h ILE 1803N 0.68 0.70 -0.36 1.86 2.04 -1.15 0.11 117.51 121.39 3k8x h ILE 1803Ca 0.18 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.90 3k8x h ILE 1803Cb 0.02 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3k8x h ILE 1803CO -0.03 0.00 -0.31 0.58 0.00 0.00 0.00 178.15 178.39 3k8x h VAL 1804N 0.01 1.28 -0.24 1.67 2.07 -1.10 -0.53 116.25 119.42 3k8x h VAL 1804Ca 0.15 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.20 3k8x h VAL 1804Cb 0.23 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3k8x h VAL 1804CO -0.31 0.49 0.15 -0.08 0.02 0.00 0.00 177.57 177.83 3k8x h GLU 1805N 0.64 0.29 -0.69 1.57 4.81 -0.81 -2.51 114.58 117.88 3k8x h GLU 1805Ca 0.06 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3k8x h GLU 1805Cb 0.89 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 3k8x h GLU 1805CO 0.08 0.19 0.43 2.35 -0.73 0.00 0.00 179.01 181.34 3k8x h TRP 1806N 0.30 0.81 0.00 0.92 2.91 -0.67 -2.21 115.95 118.01 3k8x h TRP 1806Ca 0.09 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 3k8x h TRP 1806Cb -0.02 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.36 3k8x h TRP 1806CO -0.07 0.47 -0.06 0.52 -1.03 0.00 0.00 178.44 178.27 3k8x h MET 1807N 0.85 0.00 0.00 2.65 2.86 -0.96 -2.82 114.93 117.51 3k8x h MET 1807Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3k8x h MET 1807Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3k8x h MET 1807CO -0.10 0.06 0.00 -1.13 1.06 0.00 0.00 176.91 176.80 3k8x n SER 1808N -3.79 0.00 -0.31 1.22 3.41 -0.83 -1.22 113.62 112.11 3k8x n SER 1808Ca -0.02 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 3k8x n SER 1808Cb 0.16 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 63.64 3k8x n SER 1808CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k8x n TYR 1809N -1.49 0.00 -4.41 7.33 4.02 -1.07 -4.88 117.16 116.67 3k8x n TYR 1809Ca 0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.57 3k8x n TYR 1809Cb 0.14 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.65 4.22 0.54 -0.72 1.01 -0.35 -4.45 120.40 118.00 3k8x s VAL 1810Ca 0.16 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 3k8x s VAL 1810Cb 0.18 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 3k8x s VAL 1810CO 0.65 0.60 1.09 -2.65 0.00 0.00 0.00 175.10 174.80 3k8x n PRO 1811N 2.20 1.26 -0.27 2.72 -0.02 -1.26 -4.63 135.00 135.00 3k8x n PRO 1811Ca -0.18 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 3k8x n PRO 1811Cb 0.53 -2.26 0.34 0.00 -0.02 0.00 0.00 33.50 32.10 3k8x n PRO 1811CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k8x h ALA 1812N 1.05 1.74 -2.82 3.55 0.00 -1.90 -3.44 119.26 117.44 3k8x h ALA 1812Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3k8x h ALA 1812Cb 1.34 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 3k8x h ALA 1812CO 0.54 0.06 -0.09 -1.59 0.00 0.00 0.00 179.25 178.17 3k8x s LYS 1813N -5.73 1.45 0.05 0.00 -2.85 -1.26 -4.57 119.74 106.82 3k8x s LYS 1813Ca -0.10 -1.12 -0.37 0.00 -1.00 0.00 0.00 55.97 53.38 3k8x s LYS 1813Cb 0.21 0.48 -0.16 0.00 -2.06 0.00 0.00 37.83 36.30 3k8x s LYS 1813CO 0.79 -0.60 1.43 -2.13 0.10 0.00 0.00 175.35 174.94 3k8x n ARG 1814N -0.35 1.29 -0.99 1.78 0.63 0.12 -2.03 116.66 117.12 3k8x n ARG 1814Ca -0.05 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 3k8x n ARG 1814Cb 0.62 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.40 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 3.08 -2.84 -4.86 6.15 5.03 -1.26 -4.98 115.26 115.58 3k8x n ASN 1815Ca 0.19 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.33 3k8x n ASN 1815Cb 0.20 -0.77 -0.05 0.00 -1.02 0.00 0.00 39.78 38.14 3k8x n ASN 1815CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3k8x s MET 1816N -0.22 3.90 0.73 3.52 1.75 -0.86 -5.04 119.30 123.09 3k8x s MET 1816Ca 0.00 0.62 -0.15 0.00 -1.25 0.00 0.00 55.69 54.91 3k8x s MET 1816Cb 0.00 -2.38 0.04 0.00 2.84 0.00 0.00 34.83 35.33 3k8x s MET 1816CO 0.00 0.02 1.19 -2.14 -0.65 0.00 0.00 175.02 173.44 3k8x s PRO 1817N -3.49 2.16 0.46 4.11 0.01 -1.26 -4.79 135.00 132.20 3k8x s PRO 1817Ca 0.54 1.70 -0.24 0.00 0.01 0.00 0.00 61.00 63.00 3k8x s PRO 1817Cb -0.10 -1.84 -0.07 0.00 0.01 0.00 0.00 34.50 32.49 3k8x s PRO 1817CO 0.25 -1.81 1.35 0.14 0.01 0.00 0.00 177.00 176.94 3k8x s VAL 1818N -2.07 2.33 -0.47 3.83 -7.23 -1.26 -4.59 120.40 110.94 3k8x s VAL 1818Ca 0.73 0.27 -0.28 0.00 -1.81 0.00 0.00 61.98 60.89 3k8x s VAL 1818Cb -0.28 -3.15 0.03 0.00 0.56 0.00 0.00 36.38 33.54 3k8x s VAL 1818CO 0.46 0.02 1.10 -2.16 -0.31 0.00 0.00 175.10 174.21 3k8x s PRO 1819N -2.54 3.70 0.08 4.82 0.04 -1.26 -4.94 135.00 134.90 3k8x s PRO 1819Ca 0.63 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 3k8x s PRO 1819Cb -0.40 -3.91 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 3k8x s PRO 1819CO 0.50 -1.35 1.15 0.42 0.04 0.00 0.00 177.00 177.76 3k8x s ILE 1820N 4.33 4.11 -0.36 0.56 1.01 -1.26 -4.41 121.20 125.18 3k8x s ILE 1820Ca 0.46 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.69 3k8x s ILE 1820Cb -0.08 -4.01 0.15 0.00 0.01 0.00 0.00 42.46 38.54 3k8x s ILE 1820CO 0.30 0.15 0.25 -0.22 0.00 0.00 0.00 174.94 175.43 3k8x s LEU 1821N 0.76 0.97 0.15 2.97 2.96 -0.26 -4.87 118.68 121.37 3k8x s LEU 1821Ca 0.56 -2.32 -0.31 0.00 -0.22 0.00 0.00 54.13 51.83 3k8x s LEU 1821Cb -0.28 -0.33 -0.09 0.00 0.50 0.00 0.00 46.19 45.98 3k8x s LEU 1821CO 0.30 -0.28 1.51 -1.61 -1.32 0.00 0.00 176.35 174.96 3k8x s GLU 1822N 0.89 4.25 0.00 1.98 2.02 -1.26 -4.24 118.70 122.34 3k8x s GLU 1822Ca 0.21 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.47 3k8x s GLU 1822Cb -0.17 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.88 3k8x s GLU 1822CO -0.03 -0.55 0.00 0.25 0.02 0.00 0.00 175.26 174.94 3k8x n THR 1823N 3.96 0.00 -0.25 3.63 -2.24 -1.26 -5.00 114.28 113.12 3k8x n THR 1823Ca 0.13 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 3k8x n THR 1823Cb 0.40 -0.18 0.24 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.00 -5.69 -0.78 3.64 -1.95 -3.35 116.57 109.44 3k8x h LYS 1824Ca 0.00 -0.06 -0.63 0.00 -1.27 0.00 0.00 60.65 58.69 3k8x h LYS 1824Cb 0.00 -0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 31.47 3k8x h LYS 1824CO 0.00 0.66 1.07 0.34 -2.27 0.00 0.00 179.45 179.26 3k8x s ASP 1825N -6.23 6.44 0.64 4.20 3.68 -1.26 -4.99 116.67 119.15 3k8x s ASP 1825Ca -0.11 -1.44 -0.03 0.00 2.13 0.00 0.00 52.55 53.11 3k8x s ASP 1825Cb 0.18 -2.49 0.05 0.00 -1.45 0.00 0.00 42.92 39.22 3k8x s ASP 1825CO 0.79 -1.40 0.90 0.42 0.13 0.00 0.00 175.17 176.01 3k8x s THR 1826N 4.19 2.45 0.45 1.71 -4.23 -1.26 -4.64 115.64 114.31 3k8x s THR 1826Ca 0.36 -0.48 0.12 0.00 -1.18 0.00 0.00 61.69 60.52 3k8x s THR 1826Cb -0.05 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.10 3k8x s THR 1826CO -0.03 0.00 2.07 4.11 -0.54 0.00 0.00 174.62 180.22 3k8x h TRP 1827N -0.29 0.32 -1.99 3.99 5.08 -1.94 -3.40 115.95 117.72 3k8x h TRP 1827Ca -0.43 0.01 -0.69 0.00 1.08 0.00 0.00 58.89 58.86 3k8x h TRP 1827Cb 1.30 -0.11 -0.16 0.00 -3.00 0.00 0.00 29.16 27.20 3k8x h TRP 1827CO 0.29 0.19 1.23 0.34 -1.28 0.00 0.00 178.44 179.22 3k8x s ASP 1828N -6.68 6.77 -0.12 0.11 3.68 -1.26 -4.17 116.67 115.00 3k8x s ASP 1828Ca -0.07 -2.31 -0.30 0.00 2.13 0.00 0.00 52.55 52.00 3k8x s ASP 1828Cb 0.18 -2.44 0.12 0.00 -1.45 0.00 0.00 42.92 39.33 3k8x s ASP 1828CO 0.72 -1.03 1.00 0.00 0.13 0.00 0.00 175.17 175.98 3k8x s ARG 1829N 2.81 0.62 1.01 4.34 1.70 -1.26 -5.12 118.95 123.04 3k8x s ARG 1829Ca 0.40 -0.02 -0.14 0.00 -0.47 0.00 0.00 55.73 55.50 3k8x s ARG 1829Cb -0.03 0.29 0.19 0.00 -0.57 0.00 0.00 34.95 34.84 3k8x s ARG 1829CO -0.05 -0.23 1.13 -1.25 -1.08 0.00 0.00 175.30 173.83 3k8x s PRO 1830N -1.85 0.32 -0.14 3.89 0.04 -1.26 -4.47 135.00 131.53 3k8x s PRO 1830Ca 0.02 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.10 3k8x s PRO 1830Cb -0.01 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 3k8x s PRO 1830CO -0.02 -2.74 0.38 0.08 0.04 0.00 0.00 177.00 174.74 3k8x s VAL 1831N -3.18 5.25 -0.12 -0.36 1.01 0.22 -4.97 120.40 118.25 3k8x s VAL 1831Ca 0.67 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 3k8x s VAL 1831Cb -0.14 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3k8x s VAL 1831CO 0.55 0.36 -0.11 0.44 0.00 0.00 0.00 175.10 176.34 3k8x h ASP 1832N 6.72 0.00 -2.93 3.32 3.32 -1.44 -3.42 116.42 122.00 3k8x h ASP 1832Ca -0.41 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.12 3k8x h ASP 1832Cb 1.17 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.76 3k8x h ASP 1832CO 0.76 0.64 0.84 0.12 -1.72 0.00 0.00 179.24 179.87 3k8x s PHE 1833N -1.95 3.08 -0.04 4.55 5.36 -0.45 -4.93 117.98 123.60 3k8x s PHE 1833Ca -0.09 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 3k8x s PHE 1833Cb 0.01 -3.88 0.03 0.00 -0.34 0.00 0.00 43.02 38.84 3k8x s PHE 1833CO 0.14 -3.17 0.00 0.99 -1.46 0.00 0.00 175.22 171.71 3k8x s THR 1834N 0.98 0.20 0.60 0.12 2.01 -1.26 -4.84 115.64 113.44 3k8x s THR 1834Ca 0.68 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.63 3k8x s THR 1834Cb -0.43 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 3k8x s THR 1834CO 0.33 0.17 1.06 -2.16 -0.69 0.00 0.00 174.62 173.32 3k8x s PRO 1835N 1.21 3.32 0.05 4.92 0.04 -1.26 -5.05 135.00 138.23 3k8x s PRO 1835Ca -0.07 1.19 0.09 0.00 0.04 0.00 0.00 61.00 62.25 3k8x s PRO 1835Cb -0.13 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3k8x s PRO 1835CO -0.02 -0.81 -0.25 0.99 0.04 0.00 0.00 177.00 176.94 3k8x s THR 1836N -2.48 2.23 0.33 1.26 2.01 -1.26 -4.87 115.64 112.86 3k8x s THR 1836Ca 0.63 -1.41 0.12 0.00 0.31 0.00 0.00 61.69 61.34 3k8x s THR 1836Cb -0.16 -1.89 0.32 0.00 0.01 0.00 0.00 72.50 70.78 3k8x s THR 1836CO 0.38 0.33 1.69 0.78 -0.69 0.00 0.00 174.62 177.10 3k8x h ASN 1837N 4.65 0.53 0.00 3.53 2.35 -1.96 -2.78 115.58 121.90 3k8x h ASN 1837Ca -0.47 0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 3k8x h ASN 1837Cb 1.15 0.11 -0.10 0.00 0.05 0.00 0.00 38.32 39.52 3k8x h ASN 1837CO 0.43 -0.05 -0.53 0.47 -1.65 0.00 0.00 177.43 176.11 3k8x n ASP 1838N -5.01 1.36 -4.55 5.81 8.00 -1.26 -5.00 116.55 115.90 3k8x n ASP 1838Ca 0.29 -2.88 -0.34 0.00 0.71 0.00 0.00 54.79 52.57 3k8x n ASP 1838Cb 0.87 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 3k8x n ASP 1838CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3k8x s GLU 1839N -1.73 3.55 0.21 -1.24 2.02 -1.05 -5.10 118.70 115.37 3k8x s GLU 1839Ca 0.29 -0.48 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 3k8x s GLU 1839Cb 0.29 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.51 3k8x s GLU 1839CO -0.06 0.35 1.27 0.99 0.02 0.00 0.00 175.26 177.83 3k8x s THR 1840N 0.09 3.26 0.15 3.63 2.01 -1.26 -4.50 115.64 119.01 3k8x s THR 1840Ca 0.01 1.07 0.01 0.00 0.31 0.00 0.00 61.69 63.09 3k8x s THR 1840Cb -0.13 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3k8x s THR 1840CO 0.02 0.18 0.00 -0.72 -0.69 0.00 0.00 174.62 173.41 3k8x s TYR 1841N -0.10 1.06 -0.26 4.92 -0.85 -1.26 -5.06 117.35 115.81 3k8x s TYR 1841Ca 0.54 -1.06 -0.10 0.00 -0.52 0.00 0.00 57.07 55.94 3k8x s TYR 1841Cb -0.36 -0.61 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 3k8x s TYR 1841CO 0.39 -0.28 0.14 0.34 -1.52 0.00 0.00 175.55 174.62 3k8x s ASP 1842N -3.12 5.71 0.50 -0.18 -1.08 -1.26 -4.66 116.67 112.58 3k8x s ASP 1842Ca 0.22 -0.06 0.30 0.00 -0.52 0.00 0.00 52.55 52.48 3k8x s ASP 1842Cb 0.06 -2.04 1.40 0.00 -1.46 0.00 0.00 42.92 40.88 3k8x s ASP 1842CO 0.02 -0.03 1.82 0.58 0.52 0.00 0.00 175.17 178.08 3k8x h VAL 1843N 5.38 0.49 -0.91 1.11 2.07 -1.99 0.14 116.25 122.54 3k8x h VAL 1843Ca -0.36 -0.04 0.23 0.00 0.82 0.00 0.00 66.70 67.34 3k8x h VAL 1843Cb 1.18 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3k8x h VAL 1843CO 0.57 0.02 0.62 0.03 0.02 0.00 0.00 177.57 178.83 3k8x h ARG 1844N 0.12 0.25 -0.58 1.57 3.08 -1.94 0.24 114.38 117.13 3k8x h ARG 1844Ca 0.53 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.52 3k8x h ARG 1844Cb 1.88 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.85 3k8x h ARG 1844CO -0.09 0.17 0.18 -1.49 -1.07 0.00 0.00 179.97 177.66 3k8x h TRP 1845N 0.26 0.93 -0.66 3.04 6.55 -0.91 0.36 115.95 125.52 3k8x h TRP 1845Ca 0.46 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 60.21 3k8x h TRP 1845Cb 1.39 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 29.39 3k8x h TRP 1845CO -0.00 0.78 0.43 0.52 -1.05 0.00 0.00 178.44 179.12 3k8x h MET 1846N 0.81 0.87 0.01 0.49 2.86 -1.10 0.07 114.93 118.94 3k8x h MET 1846Ca 0.19 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3k8x h MET 1846Cb 0.29 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3k8x h MET 1846CO -0.01 0.59 -0.00 0.82 1.06 0.00 0.00 176.91 179.37 3k8x h ILE 1847N 0.90 0.98 -0.01 -1.22 2.04 -0.51 0.38 117.51 120.07 3k8x h ILE 1847Ca 0.24 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.39 3k8x h ILE 1847Cb -0.09 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3k8x h ILE 1847CO -0.05 0.33 0.00 -1.84 0.00 0.00 0.00 178.15 176.59 3k8x n GLU 1848N -4.70 0.22 0.00 2.37 0.28 0.12 -1.46 120.64 117.47 3k8x n GLU 1848Ca -0.06 -1.02 0.00 0.00 -0.16 0.00 0.00 57.16 55.92 3k8x n GLU 1848Cb 0.26 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 31.97 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 0.47 -0.73 2.91 -1.84 0.00 0.01 -4.23 105.19 101.79 3k8x n GLY 1849Ca 0.05 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 3k8x n GLY 1849CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k8x s ARG 1850N -1.22 0.08 0.16 1.61 3.52 0.14 -4.38 118.95 118.86 3k8x s ARG 1850Ca 0.00 0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.65 3k8x s ARG 1850Cb 0.00 -0.19 -0.07 0.00 -1.56 0.00 0.00 34.95 33.13 3k8x s ARG 1850CO 0.00 -0.16 1.08 -2.00 -0.81 0.00 0.00 175.30 173.41 3k8x s GLU 1851N 1.15 4.60 0.14 5.12 2.56 -1.26 0.24 118.70 131.25 3k8x s GLU 1851Ca -0.09 1.67 0.04 0.00 0.00 0.00 0.00 54.97 56.60 3k8x s GLU 1851Cb -0.12 -3.30 -0.04 0.00 2.00 0.00 0.00 34.13 32.67 3k8x s GLU 1851CO -0.06 0.08 -0.10 0.99 -0.56 0.00 0.00 175.26 175.61 3k8x s THR 1852N -0.12 1.13 0.40 -1.70 2.01 -0.60 -4.91 115.64 111.86 3k8x s THR 1852Ca 0.49 -1.96 0.11 0.00 0.31 0.00 0.00 61.69 60.64 3k8x s THR 1852Cb -0.28 -1.74 0.32 0.00 0.01 0.00 0.00 72.50 70.81 3k8x s THR 1852CO 0.34 -0.69 1.95 -0.08 -0.69 0.00 0.00 174.62 175.45 3k8x h GLU 1853N 2.97 0.53 -0.65 4.92 4.81 -2.03 -2.73 114.58 122.40 3k8x h GLU 1853Ca -0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3k8x h GLU 1853Cb 1.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3k8x h GLU 1853CO 0.61 0.35 0.00 -1.13 -0.73 0.00 0.00 179.01 178.11 3k8x n SER 1854N -4.48 4.73 0.00 1.04 3.41 -1.26 -5.04 113.62 112.02 3k8x n SER 1854Ca 0.11 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 3k8x n SER 1854Cb 0.35 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3k8x n SER 1854CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8x n GLY 1855N 0.67 2.15 3.71 5.00 0.00 -1.03 -5.06 105.19 110.64 3k8x n GLY 1855Ca 0.23 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3k8x n GLY 1855CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k8x s PHE 1856N -1.73 3.57 -0.38 1.61 5.36 -1.26 -1.55 117.98 123.60 3k8x s PHE 1856Ca 0.00 1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 57.11 3k8x s PHE 1856Cb 0.00 -2.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 3k8x s PHE 1856CO 0.00 0.05 0.38 -1.21 -1.46 0.00 0.00 175.22 172.98 3k8x s GLU 1857N 0.94 3.33 0.38 10.12 2.02 0.14 -4.96 118.70 130.67 3k8x s GLU 1857Ca 0.39 -0.61 -0.27 0.00 0.02 0.00 0.00 54.97 54.51 3k8x s GLU 1857Cb -0.18 -3.88 -0.09 0.00 0.10 0.00 0.00 34.13 30.08 3k8x s GLU 1857CO 0.19 -0.67 1.29 0.71 0.02 0.00 0.00 175.26 176.80 3k8x s TYR 1858N 2.02 2.91 0.00 1.61 1.51 -1.26 0.28 117.35 124.42 3k8x s TYR 1858Ca 0.11 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.60 3k8x s TYR 1858Cb -0.17 -3.64 0.00 0.00 -0.11 0.00 0.00 41.96 38.04 3k8x s TYR 1858CO 0.12 -1.94 0.00 0.41 -1.11 0.00 0.00 175.55 173.03 3k8x n GLY 1859N 0.70 1.68 0.36 0.71 0.00 -1.26 -1.21 105.19 106.17 3k8x n GLY 1859Ca 0.03 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.94 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 1.12-10.37 0.99 5.85 -0.94 -3.43 115.31 108.52 3k8x h LEU 1860Ca 0.00 -0.11 -0.47 0.00 0.84 0.00 0.00 57.88 58.14 3k8x h LEU 1860Cb 0.00 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 3k8x h LEU 1860CO 0.00 0.90 -0.28 -0.36 -0.34 0.00 0.00 178.44 178.37 3k8x s PHE 1861N -5.82 2.43 0.29 1.25 0.40 -0.54 -4.76 117.98 111.24 3k8x s PHE 1861Ca -0.13 -0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 55.38 3k8x s PHE 1861Cb 0.17 -2.24 -0.10 0.00 0.51 0.00 0.00 43.02 41.35 3k8x s PHE 1861CO 0.83 -0.45 1.45 -0.51 0.70 0.00 0.00 175.22 177.23 3k8x s ASP 1862N -4.32 6.59 0.18 1.36 1.01 0.90 -4.77 116.67 117.61 3k8x s ASP 1862Ca 0.52 2.77 -0.33 0.00 0.71 0.00 0.00 52.55 56.22 3k8x s ASP 1862Cb -0.06 -2.64 -0.14 0.00 1.01 0.00 0.00 42.92 41.09 3k8x s ASP 1862CO 0.31 -0.73 1.55 1.17 0.21 0.00 0.00 175.17 177.68 3k8x n LYS 1863N 1.72 2.17 -0.73 8.23 4.81 -1.26 -1.52 118.16 131.59 3k8x n LYS 1863Ca 0.05 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3k8x n LYS 1863Cb 0.40 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 32.92 3k8x n LYS 1863CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k8x n GLY 1864N 3.14 1.53 0.01 3.14 0.00 -1.26 -4.92 105.19 106.83 3k8x n GLY 1864Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3k8x n GLY 1864CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k8x n SER 1865N 0.00 0.56 -4.68 1.61 3.41 -0.57 -4.90 113.62 109.04 3k8x n SER 1865Ca 0.00 -0.32 -0.41 0.00 -0.26 0.00 0.00 58.87 57.87 3k8x n SER 1865Cb 0.00 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.97 3.46 -0.40 7.33 5.99 -1.26 -3.97 117.98 126.15 3k8x s PHE 1866Ca 0.12 1.30 0.03 0.00 0.00 0.00 0.00 56.93 58.37 3k8x s PHE 1866Cb 0.18 -3.00 0.11 0.00 0.00 0.00 0.00 43.02 40.31 3k8x s PHE 1866CO 0.70 -0.18 0.15 0.12 -0.00 0.00 0.00 175.22 176.01 3k8x s PHE 1867N 1.89 2.91 0.35 10.12 5.36 0.17 -4.98 117.98 133.81 3k8x s PHE 1867Ca 0.39 -2.72 -0.26 0.00 -0.96 0.00 0.00 56.93 53.38 3k8x s PHE 1867Cb -0.17 -2.49 -0.09 0.00 -0.34 0.00 0.00 43.02 39.93 3k8x s PHE 1867CO 0.14 -0.85 1.03 -2.00 -1.46 0.00 0.00 175.22 172.08 3k8x s GLU 1868N 0.59 4.41 0.20 10.12 2.12 -1.26 -1.28 118.70 133.61 3k8x s GLU 1868Ca 0.14 1.53 0.01 0.00 0.36 0.00 0.00 54.97 57.01 3k8x s GLU 1868Cb -0.22 -2.79 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 3k8x s GLU 1868CO -0.07 0.08 0.04 0.95 -0.54 0.00 0.00 175.26 175.72 3k8x s THR 1869N -1.51 0.58 -1.32 -1.70 -4.23 -0.15 -4.79 115.64 102.52 3k8x s THR 1869Ca 0.52 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3k8x s THR 1869Cb -0.23 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.32 3k8x s THR 1869CO 0.30 -0.29 0.31 0.18 -0.54 0.00 0.00 174.62 174.57 3k8x n LEU 1870N -0.31 -1.72 0.00 4.79 4.77 -0.33 -4.34 117.00 119.86 3k8x n LEU 1870Ca -0.04 -0.14 0.11 0.00 -0.03 0.00 0.00 56.01 55.91 3k8x n LEU 1870Cb 0.64 -2.40 0.52 0.00 -2.33 0.00 0.00 43.42 39.85 3k8x n LEU 1870CO 0.35 0.05 0.86 -1.54 -1.33 0.00 0.00 177.39 175.78 3k8x n SER 1871N -2.16 0.00 -0.15 -1.43 3.41 -1.24 -2.90 113.62 109.16 3k8x n SER 1871Ca -0.10 0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 3k8x n SER 1871Cb 0.60 -0.42 0.39 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.77 -0.87 2.89 5.00 0.00 -1.26 -4.92 105.19 106.81 3k8x n GLY 1872Ca 0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 3k8x n GLY 1872CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k8x s TRP 1873N -2.65 0.44 -0.98 1.61 -0.00 -1.14 -4.04 118.94 112.17 3k8x s TRP 1873Ca 0.21 -0.08 -0.11 0.00 -0.00 0.00 0.00 56.10 56.13 3k8x s TRP 1873Cb 0.19 -0.39 -0.02 0.00 -0.00 0.00 0.00 33.47 33.26 3k8x s TRP 1873CO 0.56 -0.08 0.77 0.00 -0.00 0.00 0.00 176.95 178.20 3k8x n ALA 1874N 3.57 -2.57 1.26 5.86 0.00 -1.26 -4.82 120.51 122.55 3k8x n ALA 1874Ca -0.20 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.23 3k8x n ALA 1874Cb 0.54 -3.32 0.64 0.00 0.00 0.00 0.00 19.45 17.31 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 -3.22 0.49 0.24 0.00 5.02 -1.26 -2.42 118.16 117.01 3k8x n LYS 1875Ca -0.10 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.37 3k8x n LYS 1875Cb 0.59 -1.50 0.80 0.00 -0.02 0.00 0.00 35.03 34.89 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 3.85 0.00 -4.41 0.72 0.00 -1.89 -3.42 103.07 97.92 3k8x h GLY 1876Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3k8x h GLY 1876CO 0.00 0.00 -0.77 -1.34 0.00 0.00 0.00 176.54 174.43 3k8x s VAL 1877N -4.80 3.13 -0.18 4.60 -7.23 -1.02 -1.06 120.40 113.84 3k8x s VAL 1877Ca -0.05 -1.18 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 3k8x s VAL 1877Cb 0.16 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.72 3k8x s VAL 1877CO 0.60 0.25 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.79 3k8x s VAL 1878N -1.06 2.48 0.04 1.32 1.01 -0.08 -4.85 120.40 119.27 3k8x s VAL 1878Ca 0.18 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3k8x s VAL 1878Cb -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3k8x s VAL 1878CO 0.09 0.51 -0.19 0.68 0.00 0.00 0.00 175.10 176.19 3k8x s VAL 1879N 1.17 1.53 0.13 2.92 -7.23 -1.26 -1.11 120.40 116.55 3k8x s VAL 1879Ca 0.02 -1.14 -0.24 0.00 -1.81 0.00 0.00 61.98 58.81 3k8x s VAL 1879Cb -0.14 -1.34 0.08 0.00 0.56 0.00 0.00 36.38 35.54 3k8x s VAL 1879CO -0.07 0.16 1.11 -0.83 -0.31 0.00 0.00 175.10 175.17 3k8x s GLY 1880N -1.15 0.06 0.20 2.32 0.00 -0.70 -0.97 107.32 107.08 3k8x s GLY 1880Ca 0.06 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.55 3k8x s GLY 1880CO 0.02 3.54 0.33 0.50 0.00 0.00 0.00 173.10 177.49 3k8x s ARG 1881N -2.08 3.45 0.31 2.90 1.81 -0.40 -0.46 118.95 124.48 3k8x s ARG 1881Ca 0.25 -0.63 -0.08 0.00 -1.72 0.00 0.00 55.73 53.55 3k8x s ARG 1881Cb -0.02 -2.91 0.03 0.00 -0.45 0.00 0.00 34.95 31.60 3k8x s ARG 1881CO 0.04 0.46 0.55 0.00 -0.68 0.00 0.00 175.30 175.67 3k8x n ALA 1882N -0.94 -1.02 -2.73 2.13 0.00 -0.77 -0.65 120.51 116.52 3k8x n ALA 1882Ca -0.07 -1.13 -0.17 0.00 0.00 0.00 0.00 53.44 52.06 3k8x n ALA 1882Cb 0.55 0.91 -0.13 0.00 0.00 0.00 0.00 19.45 20.78 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 -2.28 0.69 -0.27 0.00 0.52 -1.26 -1.69 118.95 114.66 3k8x s ARG 1883Ca 0.17 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 3k8x s ARG 1883Cb -0.03 -0.62 0.07 0.00 0.52 0.00 0.00 34.95 34.89 3k8x s ARG 1883CO 0.12 0.15 -0.05 -1.17 0.02 0.00 0.00 175.30 174.38 3k8x s LEU 1884N -0.97 3.25 -1.07 2.53 2.96 0.17 -0.07 118.68 125.47 3k8x s LEU 1884Ca -0.02 -1.46 0.00 0.00 -0.22 0.00 0.00 54.13 52.44 3k8x s LEU 1884Cb -0.07 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.25 3k8x s LEU 1884CO 0.01 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3k8x n GLY 1885N 4.52 -0.22 0.14 7.98 0.00 -1.26 -1.00 105.19 115.35 3k8x n GLY 1885Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.70 1.30 3.66 -0.02 0.00 -1.26 -4.64 105.19 103.53 3k8x n GLY 1886Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.35 4.83 0.52 -0.61 1.01 -0.17 -1.10 121.20 123.33 3k8x s ILE 1887Ca 0.00 1.68 -0.18 0.00 0.00 0.00 0.00 60.65 62.15 3k8x s ILE 1887Cb 0.00 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 3k8x s ILE 1887CO 0.00 -0.05 1.04 -2.16 0.00 0.00 0.00 174.94 173.77 3k8x s PRO 1888N 2.61 3.66 0.08 2.79 0.04 -1.26 -0.66 135.00 142.26 3k8x s PRO 1888Ca 0.38 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 3k8x s PRO 1888Cb -0.16 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.39 3k8x s PRO 1888CO 0.09 -0.53 0.83 -0.48 0.04 0.00 0.00 177.00 176.95 3k8x s LEU 1889N -3.89 -0.37 0.28 -3.56 2.34 -0.68 -4.54 118.68 108.26 3k8x s LEU 1889Ca 0.65 -0.11 -0.14 0.00 0.06 0.00 0.00 54.13 54.58 3k8x s LEU 1889Cb -0.15 2.22 -0.08 0.00 -0.56 0.00 0.00 46.19 47.61 3k8x s LEU 1889CO 0.27 -0.79 0.69 -0.83 -1.06 0.00 0.00 176.35 174.62 3k8x s GLY 1890N -2.65 2.36 -0.03 -3.48 0.00 -0.12 -1.85 107.32 101.54 3k8x s GLY 1890Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.77 3k8x s GLY 1890CO -0.07 0.19 -0.05 0.14 0.00 0.00 0.00 173.10 173.31 3k8x s VAL 1891N -1.88 0.51 -0.09 1.40 1.01 0.40 -0.41 120.40 121.35 3k8x s VAL 1891Ca 0.51 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3k8x s VAL 1891Cb -0.11 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3k8x s VAL 1891CO 0.19 0.19 -0.17 -0.63 0.00 0.00 0.00 175.10 174.68 3k8x s ILE 1892N 0.49 1.51 0.32 2.22 1.01 -0.41 -1.72 121.20 124.63 3k8x s ILE 1892Ca -0.06 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3k8x s ILE 1892Cb -0.10 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3k8x s ILE 1892CO -0.00 0.44 0.11 -0.83 0.00 0.00 0.00 174.94 174.66 3k8x s GLY 1893N 0.62 2.08 -0.21 6.18 0.00 -0.26 -0.24 107.32 115.49 3k8x s GLY 1893Ca -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 42.79 3k8x s GLY 1893CO 0.04 -1.69 -0.07 0.14 0.00 0.00 0.00 173.10 171.52 3k8x s VAL 1894N -3.49 3.17 -0.27 1.40 1.01 -1.26 -0.90 120.40 120.06 3k8x s VAL 1894Ca 0.34 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 3k8x s VAL 1894Cb 0.06 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3k8x s VAL 1894CO 0.15 0.45 1.62 -0.70 0.00 0.00 0.00 175.10 176.61 3k8x s GLU 1895N 1.39 3.68 0.40 2.72 2.56 -0.23 -4.65 118.70 124.57 3k8x s GLU 1895Ca 0.05 1.51 0.26 0.00 0.00 0.00 0.00 54.97 56.79 3k8x s GLU 1895Cb -0.14 -4.06 0.72 0.00 2.00 0.00 0.00 34.13 32.64 3k8x s GLU 1895CO -0.04 -1.43 1.73 1.79 -0.56 0.00 0.00 175.26 176.75 3k8x h THR 1896N 6.31 0.00 -3.46 -1.70 1.35 -1.86 -3.16 112.91 110.40 3k8x h THR 1896Ca -0.33 -0.72 -0.54 0.00 -0.55 0.00 0.00 66.41 64.28 3k8x h THR 1896Cb 1.15 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 3k8x h THR 1896CO 1.02 0.00 -0.02 -0.13 -0.25 0.00 0.00 175.52 176.14 3k8x s ARG 1897N -3.30 4.03 0.33 4.72 0.52 -1.26 -4.27 118.95 119.71 3k8x s ARG 1897Ca 0.06 0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 55.56 3k8x s ARG 1897Cb 0.08 -2.81 -0.11 0.00 0.52 0.00 0.00 34.95 32.63 3k8x s ARG 1897CO 0.60 0.39 1.54 0.99 0.02 0.00 0.00 175.30 178.84 3k8x s THR 1898N -1.60 2.10 -0.15 0.02 2.01 -1.26 -4.28 115.64 112.48 3k8x s THR 1898Ca 0.43 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 3k8x s THR 1898Cb -0.14 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3k8x s THR 1898CO 0.20 0.02 0.06 -0.69 -0.69 0.00 0.00 174.62 173.51 3k8x s VAL 1899N -0.48 4.80 -0.45 3.82 1.01 -0.50 -4.95 120.40 123.64 3k8x s VAL 1899Ca 0.58 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 3k8x s VAL 1899Cb -0.47 -3.12 0.09 0.00 0.00 0.00 0.00 36.38 32.88 3k8x s VAL 1899CO 0.54 0.52 0.32 -1.61 0.00 0.00 0.00 175.10 174.87 3k8x s GLU 1900N -0.13 2.71 -0.46 2.72 0.41 -1.26 -0.39 118.70 122.30 3k8x s GLU 1900Ca 0.07 -1.49 -0.15 0.00 -0.41 0.00 0.00 54.97 52.99 3k8x s GLU 1900Cb -0.12 -3.93 0.06 0.00 -1.78 0.00 0.00 34.13 28.37 3k8x s GLU 1900CO 0.01 -1.03 0.37 1.21 -0.49 0.00 0.00 175.26 175.33 3k8x s ASN 1901N 2.41 6.12 -0.44 -0.19 2.47 0.65 -4.92 114.94 121.04 3k8x s ASN 1901Ca 0.04 -1.25 -0.20 0.00 0.42 0.00 0.00 52.86 51.87 3k8x s ASN 1901Cb -0.24 -2.17 0.03 0.00 -1.45 0.00 0.00 41.25 37.41 3k8x s ASN 1901CO 0.03 -0.60 0.60 -0.22 -3.72 0.00 0.00 177.10 173.19 3k8x s LEU 1902N 1.64 4.61 -0.17 3.21 2.96 -1.26 -0.52 118.68 129.15 3k8x s LEU 1902Ca 0.04 -0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 53.26 3k8x s LEU 1902Cb -0.23 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 3k8x s LEU 1902CO 0.07 -0.76 0.75 -0.63 -1.32 0.00 0.00 176.35 174.46 3k8x s ILE 1903N 2.68 4.95 0.77 6.68 -1.09 0.13 -4.94 121.20 130.38 3k8x s ILE 1903Ca 0.20 1.46 -0.11 0.00 -2.23 0.00 0.00 60.65 59.97 3k8x s ILE 1903Cb -0.15 -4.06 0.05 0.00 -1.58 0.00 0.00 42.46 36.72 3k8x s ILE 1903CO 0.17 0.08 1.08 -2.16 -1.23 0.00 0.00 174.94 172.89 3k8x s PRO 1904N 1.90 2.29 0.16 2.79 0.04 -1.26 -0.79 135.00 140.13 3k8x s PRO 1904Ca 0.35 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 3k8x s PRO 1904Cb -0.16 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 3k8x s PRO 1904CO 0.12 -1.55 1.27 0.00 0.04 0.00 0.00 177.00 176.89 3k8x s ALA 1905N -3.01 3.49 -0.32 8.56 0.00 -1.26 -4.73 121.76 124.48 3k8x s ALA 1905Ca 0.60 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 53.30 3k8x s ALA 1905Cb -0.16 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3k8x s ALA 1905CO 0.55 -0.48 1.76 0.34 0.00 0.00 0.00 175.76 177.93 3k8x s ASP 1906N 0.54 5.97 0.47 0.00 3.68 -1.26 -4.91 116.67 121.15 3k8x s ASP 1906Ca 0.57 1.31 0.32 0.00 2.13 0.00 0.00 52.55 56.88 3k8x s ASP 1906Cb -0.34 -2.53 1.52 0.00 -1.45 0.00 0.00 42.92 40.12 3k8x s ASP 1906CO 0.35 -1.65 1.96 -0.65 0.13 0.00 0.00 175.17 175.31 3k8x h PRO 1907N 12.52 0.00 0.00 4.34 0.11 -1.94 -2.42 132.00 144.62 3k8x h PRO 1907Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3k8x h PRO 1907Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3k8x h PRO 1907CO 1.03 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 3k8x n ALA 1908N -1.95 2.12 -3.66 -0.75 0.00 -1.26 -4.56 120.51 110.44 3k8x n ALA 1908Ca -0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 3k8x n ALA 1908Cb 0.17 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.78 4.32 0.32 0.00 3.04 -0.91 -5.01 114.94 112.92 3k8x s ASN 1909Ca 0.10 -0.78 0.03 0.00 0.04 0.00 0.00 52.86 52.25 3k8x s ASN 1909Cb 0.14 -1.68 0.54 0.00 -1.54 0.00 0.00 41.25 38.71 3k8x s ASN 1909CO 0.50 -0.11 1.86 -0.65 -3.04 0.00 0.00 177.10 175.66 3k8x h PRO 1910N 8.04 0.63 -2.40 0.43 0.11 -1.83 -3.23 132.00 133.74 3k8x h PRO 1910Ca -0.35 -0.13 -0.77 0.00 0.11 0.00 0.00 66.00 64.87 3k8x h PRO 1910Cb 1.12 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 31.83 3k8x h PRO 1910CO 0.58 0.61 0.65 0.09 -0.21 0.00 0.00 178.00 179.72 3k8x n ASN 1911N -4.28 6.54 -3.94 -2.05 5.03 -1.26 -4.95 115.26 110.35 3k8x n ASN 1911Ca 0.02 -3.62 -0.17 0.00 0.87 0.00 0.00 54.58 51.69 3k8x n ASN 1911Cb 0.23 -1.08 -0.15 0.00 -1.02 0.00 0.00 39.78 37.77 3k8x n ASN 1911CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3k8x s SER 1912N -1.83 0.70 0.37 6.41 1.04 -1.22 -5.15 113.70 114.03 3k8x s SER 1912Ca 0.39 -0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.79 3k8x s SER 1912Cb 0.17 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 3k8x s SER 1912CO -0.07 0.03 0.26 0.00 0.98 0.00 0.00 173.24 174.43 3k8x s ALA 1913N 0.19 3.77 0.63 5.32 0.00 -1.26 -4.72 121.76 125.68 3k8x s ALA 1913Ca -0.02 -1.83 -0.15 0.00 0.00 0.00 0.00 51.96 49.95 3k8x s ALA 1913Cb -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3k8x s ALA 1913CO -0.00 -0.07 1.09 -1.83 0.00 0.00 0.00 175.76 174.94 3k8x s GLU 1914N -3.98 3.03 -0.05 0.00 -1.05 -1.26 -4.38 118.70 111.02 3k8x s GLU 1914Ca 0.42 1.30 0.05 0.00 -0.15 0.00 0.00 54.97 56.59 3k8x s GLU 1914Cb -0.03 -1.99 -0.00 0.00 -0.44 0.00 0.00 34.13 31.67 3k8x s GLU 1914CO 0.25 -1.05 -0.19 0.99 0.95 0.00 0.00 175.26 176.21 3k8x s THR 1915N -2.40 1.61 -0.27 1.83 2.01 0.03 -4.94 115.64 113.51 3k8x s THR 1915Ca 0.65 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 3k8x s THR 1915Cb -0.18 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3k8x s THR 1915CO 0.40 0.46 0.16 -0.22 -0.69 0.00 0.00 174.62 174.73 3k8x s LEU 1916N 0.03 3.90 -0.22 4.42 2.96 -1.26 0.20 118.68 128.71 3k8x s LEU 1916Ca -0.05 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3k8x s LEU 1916Cb -0.13 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 3k8x s LEU 1916CO 0.03 -0.05 0.03 -0.63 -1.32 0.00 0.00 176.35 174.41 3k8x s ILE 1917N 1.73 4.08 -0.15 6.68 -1.09 0.32 -4.95 121.20 127.82 3k8x s ILE 1917Ca 0.07 -0.26 -0.20 0.00 -2.23 0.00 0.00 60.65 58.03 3k8x s ILE 1917Cb -0.16 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.82 3k8x s ILE 1917CO 0.09 0.40 0.59 -1.10 -1.23 0.00 0.00 174.94 173.69 3k8x s GLN 1918N 1.25 4.29 -0.40 2.79 -1.52 -1.26 -0.25 119.66 124.55 3k8x s GLN 1918Ca 0.04 0.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.05 3k8x s GLN 1918Cb -0.15 -3.51 0.11 0.00 -0.22 0.00 0.00 33.01 29.24 3k8x s GLN 1918CO 0.02 -0.07 0.16 -1.21 -0.25 0.00 0.00 175.29 173.94 3k8x s GLU 1919N 1.32 1.83 0.59 2.91 2.02 0.48 -4.99 118.70 122.86 3k8x s GLU 1919Ca 0.29 -1.91 -0.20 0.00 0.02 0.00 0.00 54.97 53.18 3k8x s GLU 1919Cb -0.16 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 3k8x s GLU 1919CO 0.12 -1.03 1.27 -1.25 0.02 0.00 0.00 175.26 174.39 3k8x s PRO 1920N 0.94 2.94 0.56 0.39 0.04 -1.26 -1.41 135.00 137.19 3k8x s PRO 1920Ca 0.10 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 3k8x s PRO 1920Cb -0.21 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3k8x s PRO 1920CO -0.05 -1.28 1.14 0.20 0.04 0.00 0.00 177.00 177.05 3k8x s GLY 1921N -1.36 2.62 -0.96 0.56 0.00 -1.26 -3.44 107.32 103.48 3k8x s GLY 1921Ca 0.77 0.84 0.00 0.00 0.00 0.00 0.00 44.72 46.32 3k8x s GLY 1921CO 0.39 1.20 0.00 -1.06 0.00 0.00 0.00 173.10 173.63 3k8x n GLN 1922N -1.43 -0.97 -5.09 2.90 6.02 -1.19 -4.89 117.38 112.71 3k8x n GLN 1922Ca 0.12 0.76 -0.32 0.00 -0.01 0.00 0.00 57.00 57.55 3k8x n GLN 1922Cb 0.51 -4.76 -0.16 0.00 1.02 0.00 0.00 30.24 26.85 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 -2.17 2.40 -0.22 5.09 1.01 -1.22 0.10 120.40 125.40 3k8x s VAL 1923Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 3k8x s VAL 1923Cb 0.00 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 3k8x s VAL 1923CO 0.00 0.56 0.92 0.26 0.00 0.00 0.00 175.10 176.84 3k8x s TRP 1924N 0.07 3.35 0.44 5.22 0.51 -0.52 -4.93 118.94 123.07 3k8x s TRP 1924Ca -0.09 1.31 0.08 0.00 -2.12 0.00 0.00 56.10 55.27 3k8x s TRP 1924Cb -0.15 -3.13 -0.01 0.00 -0.81 0.00 0.00 33.47 29.37 3k8x s TRP 1924CO 0.06 -0.39 0.42 -1.01 -0.51 0.00 0.00 176.95 175.52 3k8x s HIS 1925N 2.80 2.54 0.25 -1.98 3.76 -1.26 -1.26 115.29 120.14 3k8x s HIS 1925Ca 0.40 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.74 3k8x s HIS 1925Cb -0.16 -2.17 0.42 0.00 1.11 0.00 0.00 32.58 31.79 3k8x s HIS 1925CO 0.08 -0.24 1.81 -1.35 -0.85 0.00 0.00 174.74 174.20 3k8x h PRO 1926N 0.92 0.80 -0.76 8.40 0.11 -1.88 0.16 132.00 139.75 3k8x h PRO 1926Ca -0.40 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3k8x h PRO 1926Cb 1.27 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3k8x h PRO 1926CO 0.55 0.53 0.25 -2.95 -0.21 0.00 0.00 178.00 176.17 3k8x h ASN 1927N 0.82 1.09 0.29 -2.05 7.08 -1.96 -0.76 115.58 120.10 3k8x h ASN 1927Ca 0.41 -0.20 -0.26 0.00 -3.08 0.00 0.00 56.30 53.18 3k8x h ASN 1927Cb 0.39 -0.29 0.01 0.00 -2.08 0.00 0.00 38.32 36.35 3k8x h ASN 1927CO -0.25 1.00 -1.08 -1.28 -2.08 0.00 0.00 177.43 173.74 3k8x h SER 1928N 1.12 0.65 -0.37 6.14 0.87 -1.73 0.15 113.55 120.39 3k8x h SER 1928Ca 0.25 -0.56 -0.06 0.00 -1.23 0.00 0.00 61.79 60.18 3k8x h SER 1928Cb 0.29 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3k8x h SER 1928CO -0.01 1.38 -0.02 0.00 -0.53 0.00 0.00 176.83 177.65 3k8x h ALA 1929N 0.56 0.50 -0.51 6.23 0.00 -0.61 -2.21 119.26 123.22 3k8x h ALA 1929Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3k8x h ALA 1929Cb 1.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 3k8x h ALA 1929CO 0.19 0.29 0.32 0.35 0.00 0.00 0.00 179.25 180.40 3k8x h PHE 1930N 0.48 0.66 -0.68 0.00 -0.00 -0.80 -1.63 116.94 114.97 3k8x h PHE 1930Ca 0.10 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 58.03 3k8x h PHE 1930Cb 0.49 -0.22 -0.03 0.00 -0.00 0.00 0.00 35.95 36.19 3k8x h PHE 1930CO 0.04 0.44 0.21 -0.22 -0.00 0.00 0.00 178.31 178.78 3k8x h LYS 1931N 0.69 1.04 -0.19 1.11 3.64 -0.67 0.66 116.57 122.85 3k8x h LYS 1931Ca 0.19 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3k8x h LYS 1931Cb -0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3k8x h LYS 1931CO -0.04 0.89 0.08 1.15 -2.27 0.00 0.00 179.45 179.26 3k8x h THR 1932N 1.00 1.15 -0.54 1.00 2.02 -1.04 -0.33 112.91 116.17 3k8x h THR 1932Ca 0.22 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3k8x h THR 1932Cb 0.28 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3k8x h THR 1932CO -0.01 0.15 0.22 0.00 0.37 0.00 0.00 175.52 176.25 3k8x h ALA 1933N 0.93 0.70 -0.37 6.16 0.00 -0.94 -2.05 119.26 123.68 3k8x h ALA 1933Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3k8x h ALA 1933Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3k8x h ALA 1933CO -0.01 0.31 0.23 0.37 0.00 0.00 0.00 179.25 180.15 3k8x h GLN 1934N 0.73 0.45 -0.34 0.00 5.75 -0.68 -1.62 115.11 119.41 3k8x h GLN 1934Ca 0.18 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.70 3k8x h GLN 1934Cb 0.19 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 3k8x h GLN 1934CO -0.02 0.30 0.07 0.00 -2.65 0.00 0.00 178.83 176.53 3k8x h ALA 1935N 1.16 0.35 -0.68 3.38 0.00 -0.84 0.17 119.26 122.80 3k8x h ALA 1935Ca 0.15 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3k8x h ALA 1935Cb -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3k8x h ALA 1935CO -0.06 -0.34 0.42 0.82 0.00 0.00 0.00 179.25 180.09 3k8x h ILE 1936N 0.19 1.07 -0.44 0.00 2.04 -1.14 0.12 117.51 119.35 3k8x h ILE 1936Ca 0.16 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 3k8x h ILE 1936Cb 0.17 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3k8x h ILE 1936CO -0.21 0.15 -0.28 0.78 0.00 0.00 0.00 178.15 178.59 3k8x h ASN 1937N 0.81 1.01 0.04 1.72 2.35 -0.77 -2.52 115.58 118.22 3k8x h ASN 1937Ca 0.28 -0.42 -0.12 0.00 -0.55 0.00 0.00 56.30 55.49 3k8x h ASN 1937Cb 0.05 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3k8x h ASN 1937CO -0.12 1.22 -0.40 0.44 -1.65 0.00 0.00 177.43 176.92 3k8x h ASP 1938N 0.82 0.49 -0.31 5.81 3.45 -0.14 0.77 116.42 127.32 3k8x h ASP 1938Ca 0.09 -0.21 -0.04 0.00 0.43 0.00 0.00 57.03 57.29 3k8x h ASP 1938Cb 0.87 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 3k8x h ASP 1938CO 0.08 0.84 0.06 -0.26 -1.57 0.00 0.00 179.24 178.40 3k8x h PHE 1939N 0.39 0.62 0.00 4.55 0.05 -0.74 -3.34 116.94 118.46 3k8x h PHE 1939Ca 0.03 -0.05 -0.08 0.00 3.82 0.00 0.00 57.97 61.70 3k8x h PHE 1939Cb 0.87 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.63 3k8x h PHE 1939CO 0.03 0.56 -0.51 -0.97 -0.18 0.00 0.00 178.31 177.23 3k8x h ASN 1940N 0.58 0.00 0.67 2.17 -1.24 -0.97 -1.09 115.58 115.71 3k8x h ASN 1940Ca 0.13 -0.50 -0.03 0.00 0.71 0.00 0.00 56.30 56.62 3k8x h ASN 1940Cb 0.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3k8x h ASN 1940CO 0.00 1.04 -0.47 0.78 -1.29 0.00 0.00 177.43 177.49 3k8x h ASN 1941N -1.00 -1.23 0.00 1.15 4.21 -1.00 -2.75 115.58 114.96 3k8x h ASN 1941Ca -0.12 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.45 3k8x h ASN 1941Cb 0.85 0.37 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3k8x h ASN 1941CO -0.07 -0.69 -1.17 0.61 -1.29 0.00 0.00 177.43 174.81 3k8x n GLY 1942N -1.58 -0.16 0.30 2.83 0.00 -1.25 -4.36 105.19 100.97 3k8x n GLY 1942Ca -0.13 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 0.53 -6.84 1.61 5.08 -1.71 -3.35 114.58 109.90 3k8x h GLU 1943Ca -0.02 -0.05 -0.57 0.00 -1.00 0.00 0.00 59.36 57.72 3k8x h GLU 1943Cb 0.44 -0.11 -0.22 0.00 0.50 0.00 0.00 28.75 29.36 3k8x h GLU 1943CO 0.00 0.41 -0.88 1.04 -1.00 0.00 0.00 179.01 178.58 3k8x n GLN 1944N -4.42 -2.42 -3.27 2.33 6.02 -0.68 -4.33 117.38 110.61 3k8x n GLN 1944Ca 0.03 0.30 -0.35 0.00 -0.01 0.00 0.00 57.00 56.97 3k8x n GLN 1944Cb 0.11 -4.72 -0.06 0.00 1.02 0.00 0.00 30.24 26.59 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 -7.23 4.27 1.12 1.08 1.43 -0.50 -4.84 118.68 114.01 3k8x s LEU 1945Ca 0.53 1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 54.66 3k8x s LEU 1945Cb -0.29 -3.53 0.25 0.00 0.03 0.00 0.00 46.19 42.65 3k8x s LEU 1945CO 0.95 0.01 1.06 -2.16 0.23 0.00 0.00 176.35 176.44 3k8x s PRO 1946N -2.24 -0.52 -0.02 1.29 0.04 -1.26 -4.64 135.00 127.65 3k8x s PRO 1946Ca 0.43 0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.98 3k8x s PRO 1946Cb -0.14 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.78 3k8x s PRO 1946CO 0.20 -3.38 0.14 1.41 0.04 0.00 0.00 177.00 175.40 3k8x s MET 1947N -4.77 0.36 -0.09 4.56 1.75 -0.68 -0.94 119.30 119.48 3k8x s MET 1947Ca 0.67 -0.18 0.04 0.00 -1.25 0.00 0.00 55.69 54.98 3k8x s MET 1947Cb -0.21 0.15 0.00 0.00 2.84 0.00 0.00 34.83 37.62 3k8x s MET 1947CO 0.61 -0.08 -0.22 1.41 -0.65 0.00 0.00 175.02 176.09 3k8x s MET 1948N -0.83 2.81 -0.23 4.11 1.75 0.45 -1.15 119.30 126.20 3k8x s MET 1948Ca -0.09 -0.80 -0.04 0.00 -1.25 0.00 0.00 55.69 53.50 3k8x s MET 1948Cb -0.05 -2.15 -0.00 0.00 2.84 0.00 0.00 34.83 35.47 3k8x s MET 1948CO 0.01 0.16 -0.03 0.42 -0.65 0.00 0.00 175.02 174.93 3k8x s ILE 1949N 0.37 3.41 -1.30 10.11 1.01 0.34 -1.28 121.20 133.86 3k8x s ILE 1949Ca -0.18 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3k8x s ILE 1949Cb -0.17 -2.59 0.15 0.00 0.01 0.00 0.00 42.46 39.85 3k8x s ILE 1949CO 0.08 0.36 1.85 0.18 0.00 0.00 0.00 174.94 177.41 3k8x n LEU 1950N 4.79 6.39 -4.68 2.97 4.77 0.67 -1.26 117.00 130.65 3k8x n LEU 1950Ca -0.18 -4.52 -0.42 0.00 -0.03 0.00 0.00 56.01 50.87 3k8x n LEU 1950Cb 0.50 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 3k8x n LEU 1950CO 0.29 1.19 1.33 0.00 -1.33 0.00 0.00 177.39 178.87 3k8x s ALA 1951N 1.11 3.67 -0.42 -1.18 0.00 -0.98 -4.19 121.76 119.77 3k8x s ALA 1951Ca 0.42 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.62 3k8x s ALA 1951Cb 0.08 -3.70 0.36 0.00 0.00 0.00 0.00 23.12 19.86 3k8x s ALA 1951CO -0.01 -1.15 1.14 -1.71 0.00 0.00 0.00 175.76 174.04 3k8x n ASN 1952N 5.84 -1.46 -4.53 0.00 5.15 -1.25 -4.16 115.26 114.85 3k8x n ASN 1952Ca 0.16 -3.10 -0.33 0.00 -0.60 0.00 0.00 54.58 50.71 3k8x n ASN 1952Cb 0.41 1.09 -0.12 0.00 -0.53 0.00 0.00 39.78 40.63 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 -0.39 2.81 -0.90 1.20 0.51 -0.81 -4.65 118.94 116.70 3k8x s TRP 1953Ca 0.25 -0.08 0.26 0.00 -2.12 0.00 0.00 56.10 54.41 3k8x s TRP 1953Cb 0.35 -1.65 0.69 0.00 -0.81 0.00 0.00 33.47 32.06 3k8x s TRP 1953CO -0.06 0.27 1.56 0.54 -0.51 0.00 0.00 176.95 178.75 3k8x n ARG 1954N 2.13 0.09 0.00 4.98 1.74 0.29 -2.58 116.66 123.31 3k8x n ARG 1954Ca -0.17 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3k8x n ARG 1954Cb 0.52 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.45 2.40 3.76 -0.13 0.00 -1.24 -4.52 105.19 106.91 3k8x n GLY 1955Ca 0.05 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.88 3.66 -0.04 1.61 0.40 -1.26 -1.44 117.98 119.02 3k8x s PHE 1956Ca 0.00 1.76 -0.30 0.00 -0.60 0.00 0.00 56.93 57.80 3k8x s PHE 1956Cb 0.00 -3.12 -0.06 0.00 0.51 0.00 0.00 43.02 40.35 3k8x s PHE 1956CO 0.00 -0.17 1.66 0.45 0.70 0.00 0.00 175.22 177.86 3k8x s SER 1957N -1.19 6.66 -0.15 1.36 0.15 -0.39 -4.88 113.70 115.26 3k8x s SER 1957Ca 0.47 2.27 0.16 0.00 0.70 0.00 0.00 55.95 59.54 3k8x s SER 1957Cb -0.27 -2.54 0.69 0.00 -1.71 0.00 0.00 66.02 62.20 3k8x s SER 1957CO 0.34 -0.92 1.60 0.61 1.20 0.00 0.00 173.24 176.07 3k8x n GLY 1958N 4.13 3.06 3.87 9.45 0.00 -1.26 -4.54 105.19 119.90 3k8x n GLY 1958Ca 0.17 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 3k8x n GLY 1958CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8x s GLY 1959N -1.07 1.62 0.13 -0.02 0.00 -1.26 -4.76 107.32 101.96 3k8x s GLY 1959Ca 0.49 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.61 3k8x s GLY 1959CO 0.19 0.03 1.67 -1.61 0.00 0.00 0.00 173.10 173.38 3k8x h GLN 1960N -0.78 -0.16 -0.18 2.90 4.15 -1.98 0.11 115.11 119.17 3k8x h GLN 1960Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3k8x h GLN 1960Cb 1.27 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 3k8x h GLN 1960CO 0.63 -0.11 0.12 -0.09 -1.93 0.00 0.00 178.83 177.45 3k8x h ARG 1961N -0.17 0.24 -0.36 1.69 2.43 -1.98 0.65 114.38 116.87 3k8x h ARG 1961Ca 0.09 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3k8x h ARG 1961Cb 0.30 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3k8x h ARG 1961CO -0.22 0.17 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.82 3k8x h ASP 1962N 0.24 0.64 -0.31 -3.80 3.45 -1.81 0.15 116.42 114.98 3k8x h ASP 1962Ca 0.07 -0.19 -0.06 0.00 0.43 0.00 0.00 57.03 57.28 3k8x h ASP 1962Cb -0.02 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 3k8x h ASP 1962CO -0.01 0.80 -0.03 0.24 -1.57 0.00 0.00 179.24 178.67 3k8x h MET 1963N 0.59 0.57 -0.83 3.56 2.86 -0.59 -1.85 114.93 119.24 3k8x h MET 1963Ca 0.10 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3k8x h MET 1963Cb 0.58 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 3k8x h MET 1963CO 0.04 0.73 0.46 0.35 1.06 0.00 0.00 176.91 179.54 3k8x h PHE 1964N 0.35 1.14 -0.03 -0.22 3.57 -0.69 -1.74 116.94 119.32 3k8x h PHE 1964Ca 0.08 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3k8x h PHE 1964Cb 0.49 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3k8x h PHE 1964CO 0.04 0.79 0.00 0.09 -2.23 0.00 0.00 178.31 177.01 3k8x n ASN 1965N -4.39 1.09 -0.74 0.41 3.02 0.52 -4.89 115.26 110.27 3k8x n ASN 1965Ca 0.08 -2.04 -0.05 0.00 -0.03 0.00 0.00 54.58 52.54 3k8x n ASN 1965Cb 0.09 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 -0.04 -0.84 -0.20 3.52 1.02 -0.66 -4.85 120.64 118.60 3k8x n GLU 1966Ca 0.02 0.20 0.24 0.00 -0.02 0.00 0.00 57.16 57.60 3k8x n GLU 1966Cb 0.26 -3.69 0.64 0.00 -0.02 0.00 0.00 31.44 28.62 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 -0.21 0.60 -0.86 2.62 3.04 -1.52 -0.27 116.25 119.65 3k8x h VAL 1967Ca -0.11 -0.06 0.03 0.00 -1.01 0.00 0.00 66.70 65.56 3k8x h VAL 1967Cb 1.08 0.43 -0.05 0.00 -2.01 0.00 0.00 31.29 30.74 3k8x h VAL 1967CO 0.12 0.03 0.57 -0.07 -1.01 0.00 0.00 177.57 177.21 3k8x h LEU 1968N 0.16 0.93 -0.18 3.16 4.07 -1.87 -1.16 115.31 120.42 3k8x h LEU 1968Ca 0.44 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 58.29 3k8x h LEU 1968Cb 1.47 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.99 3k8x h LEU 1968CO -0.08 0.64 -0.28 0.11 -1.08 0.00 0.00 178.44 177.75 3k8x h LYS 1969N 1.08 0.50 -0.25 1.13 1.57 -1.43 -2.37 116.57 116.80 3k8x h LYS 1969Ca 0.34 -0.30 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 3k8x h LYS 1969Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3k8x h LYS 1969CO -0.10 0.90 -0.45 1.88 -0.57 0.00 0.00 179.45 181.11 3k8x h TYR 1970N 0.15 0.77 -0.38 -1.35 -1.99 -1.37 -1.94 116.97 110.86 3k8x h TYR 1970Ca 0.02 -0.24 -0.12 0.00 2.00 0.00 0.00 58.73 60.39 3k8x h TYR 1970Cb 0.86 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 3k8x h TYR 1970CO 0.09 0.97 -0.23 0.78 -0.00 0.00 0.00 178.16 179.77 3k8x h GLY 1971N 1.00 0.83 1.69 3.88 0.00 -1.29 -2.57 103.07 106.62 3k8x h GLY 1971Ca 0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.59 3k8x h GLY 1971CO 0.09 0.65 -0.12 1.76 0.00 0.00 0.00 176.54 178.92 3k8x h SER 1972N 0.67 0.36 -0.47 0.19 0.02 -1.19 -2.26 113.55 110.87 3k8x h SER 1972Ca 0.09 -0.08 0.13 0.00 -0.84 0.00 0.00 61.79 61.09 3k8x h SER 1972Cb 0.74 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3k8x h SER 1972CO 0.06 0.52 0.33 -0.26 -1.14 0.00 0.00 176.83 176.34 3k8x h PHE 1973N 0.35 0.02 -0.22 3.45 0.05 -0.93 -2.42 116.94 117.25 3k8x h PHE 1973Ca 0.07 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.78 3k8x h PHE 1973Cb 0.43 -0.01 -0.00 0.00 2.00 0.00 0.00 35.95 38.37 3k8x h PHE 1973CO 0.01 0.01 -0.17 0.82 -0.18 0.00 0.00 178.31 178.80 3k8x h ILE 1974N 0.01 1.32 -0.07 -0.55 2.04 -1.39 -1.39 117.51 117.48 3k8x h ILE 1974Ca 0.22 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.81 3k8x h ILE 1974Cb 0.87 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3k8x h ILE 1974CO -0.01 0.40 -0.08 0.58 0.00 0.00 0.00 178.15 179.04 3k8x h VAL 1975N 0.19 0.76 -0.93 1.67 2.07 -1.49 -1.44 116.25 117.08 3k8x h VAL 1975Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3k8x h VAL 1975Cb 0.70 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3k8x h VAL 1975CO 0.04 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.69 3k8x h ASP 1976N -0.11 1.01 -0.17 0.57 3.45 -1.36 0.07 116.42 119.87 3k8x h ASP 1976Ca 0.06 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.41 3k8x h ASP 1976Cb 0.20 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3k8x h ASP 1976CO -0.14 0.69 -0.23 0.00 -1.57 0.00 0.00 179.24 177.99 3k8x h ALA 1977N 1.46 1.00 -0.25 3.45 0.00 -0.81 -2.73 119.26 121.38 3k8x h ALA 1977Ca 0.37 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3k8x h ALA 1977Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3k8x h ALA 1977CO -0.11 0.59 -0.49 -0.07 0.00 0.00 0.00 179.25 179.16 3k8x h LEU 1978N 0.55 0.87 -1.02 0.00 3.38 -0.59 -2.98 115.31 115.52 3k8x h LEU 1978Ca 0.08 -0.54 0.12 0.00 0.09 0.00 0.00 57.88 57.63 3k8x h LEU 1978Cb 0.69 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3k8x h LEU 1978CO 0.05 1.25 0.63 0.58 0.09 0.00 0.00 178.44 181.04 3k8x h VAL 1979N 0.53 0.93 -0.00 1.22 2.07 -0.89 -2.17 116.25 117.93 3k8x h VAL 1979Ca 0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3k8x h VAL 1979Cb 1.10 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3k8x h VAL 1979CO 0.11 0.18 -0.09 -0.67 0.02 0.00 0.00 177.57 177.13 3k8x n ASP 1980N -4.61 0.28 -4.75 0.57 2.03 -1.04 -4.93 116.55 104.10 3k8x n ASP 1980Ca 0.19 -0.34 -0.41 0.00 0.52 0.00 0.00 54.79 54.75 3k8x n ASP 1980Cb 0.35 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 3k8x n ASP 1980CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3k8x s TYR 1981N -2.57 3.36 -0.20 -0.67 5.04 -0.82 -4.96 117.35 116.54 3k8x s TYR 1981Ca 0.27 1.48 0.02 0.00 -2.44 0.00 0.00 57.07 56.40 3k8x s TYR 1981Cb 0.20 -3.47 0.03 0.00 0.35 0.00 0.00 41.96 39.07 3k8x s TYR 1981CO 0.49 -1.25 0.73 1.63 -1.34 0.00 0.00 175.55 175.81 3k8x n LYS 1982N 1.69 0.61 -4.41 4.97 5.02 -1.26 -4.90 118.16 119.87 3k8x n LYS 1982Ca 0.02 -0.97 -0.21 0.00 -2.02 0.00 0.00 58.31 55.13 3k8x n LYS 1982Cb 0.44 -1.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.31 3k8x n LYS 1982CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3k8x s GLN 1983N -0.46 1.50 0.35 1.97 1.11 -1.26 -5.08 119.66 117.79 3k8x s GLN 1983Ca 0.03 -1.69 -0.26 0.00 0.01 0.00 0.00 55.36 53.45 3k8x s GLN 1983Cb 0.02 -1.40 -0.12 0.00 -1.01 0.00 0.00 33.01 30.49 3k8x s GLN 1983CO 0.02 0.23 1.00 -2.30 0.01 0.00 0.00 175.29 174.25 3k8x n PRO 1984N -0.51 1.35 -4.91 2.91 -0.02 -1.26 -4.79 135.00 127.77 3k8x n PRO 1984Ca -0.06 0.48 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 3k8x n PRO 1984Cb 0.61 -1.93 -0.16 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.18 1.55 -0.16 4.25 1.01 0.11 -1.69 121.20 125.08 3k8x s ILE 1985Ca 0.60 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3k8x s ILE 1985Cb -0.63 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.52 3k8x s ILE 1985CO 0.59 0.44 -0.16 -0.63 0.00 0.00 0.00 174.94 175.18 3k8x s ILE 1986N 0.04 2.58 -0.17 2.92 1.01 -0.30 -1.19 121.20 126.08 3k8x s ILE 1986Ca -0.05 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 3k8x s ILE 1986Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3k8x s ILE 1986CO 0.03 0.51 0.05 -0.63 0.00 0.00 0.00 174.94 174.90 3k8x s ILE 1987N 0.95 4.66 -0.16 2.92 -1.09 0.95 -0.51 121.20 128.92 3k8x s ILE 1987Ca -0.03 -0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.26 3k8x s ILE 1987Cb -0.15 -3.09 0.06 0.00 -1.58 0.00 0.00 42.46 37.70 3k8x s ILE 1987CO -0.03 0.47 0.09 -0.47 -1.23 0.00 0.00 174.94 173.77 3k8x s TYR 1988N 0.31 0.18 -0.30 3.97 6.04 -0.39 0.99 117.35 128.16 3k8x s TYR 1988Ca 0.02 -0.25 -0.29 0.00 0.04 0.00 0.00 57.07 56.59 3k8x s TYR 1988Cb -0.13 -0.67 0.01 0.00 -1.04 0.00 0.00 41.96 40.14 3k8x s TYR 1988CO 0.01 -0.48 1.11 0.42 -1.54 0.00 0.00 175.55 175.07 3k8x s ILE 1989N 2.14 4.47 0.86 3.14 1.01 -0.48 -2.32 121.20 130.03 3k8x s ILE 1989Ca 0.02 1.71 -0.11 0.00 0.00 0.00 0.00 60.65 62.27 3k8x s ILE 1989Cb -0.16 -4.35 0.15 0.00 0.01 0.00 0.00 42.46 38.11 3k8x s ILE 1989CO -0.08 -0.43 1.20 -2.16 0.00 0.00 0.00 174.94 173.46 3k8x s PRO 1990N 3.66 1.25 0.33 2.79 0.04 -1.26 -1.15 135.00 140.66 3k8x s PRO 1990Ca 0.47 -0.44 -0.28 0.00 0.04 0.00 0.00 61.00 60.79 3k8x s PRO 1990Cb -0.13 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3k8x s PRO 1990CO 0.15 -1.95 1.25 -1.25 0.04 0.00 0.00 177.00 175.25 3k8x s PRO 1991N -5.62 4.38 0.00 0.56 0.04 -1.26 -0.94 135.00 132.16 3k8x s PRO 1991Ca 0.69 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3k8x s PRO 1991Cb -0.06 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3k8x s PRO 1991CO 0.50 -0.12 0.00 0.25 0.04 0.00 0.00 177.00 177.66 3k8x n THR 1992N 0.80 0.00 -2.52 1.26 -2.24 -0.16 -4.77 114.28 106.65 3k8x n THR 1992Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 3k8x n THR 1992Cb 0.43 -0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.61 3k8x n THR 1992CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k8x s GLY 1993N -2.00 1.76 0.15 3.38 0.00 -0.12 -4.97 107.32 105.53 3k8x s GLY 1993Ca 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 44.72 43.41 3k8x s GLY 1993CO 0.00 -0.86 0.38 -1.83 0.00 0.00 0.00 173.10 170.79 3k8x s GLU 1994N -4.90 1.15 -0.13 2.90 -1.05 -1.26 -1.80 118.70 113.61 3k8x s GLU 1994Ca 0.57 -0.90 -0.04 0.00 -0.15 0.00 0.00 54.97 54.46 3k8x s GLU 1994Cb -0.10 0.44 0.05 0.00 -0.44 0.00 0.00 34.13 34.08 3k8x s GLU 1994CO 0.40 -0.45 0.10 -1.17 0.95 0.00 0.00 175.26 175.10 3k8x s LEU 1995N -2.87 0.20 0.05 1.83 2.96 -0.90 -1.93 118.68 118.03 3k8x s LEU 1995Ca 0.08 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3k8x s LEU 1995Cb 0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.57 3k8x s LEU 1995CO -0.06 -0.31 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.36 3k8x s ARG 1996N 2.18 2.07 3.13 1.98 1.81 -1.07 -3.40 118.95 125.66 3k8x s ARG 1996Ca 0.03 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 3k8x s ARG 1996Cb -0.14 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 3k8x s ARG 1996CO -0.07 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.49 3k8x n GLY 1997N 1.37 2.37 0.60 -3.53 0.00 -0.81 -0.86 105.19 104.33 3k8x n GLY 1997Ca -0.16 -0.23 0.41 0.00 0.00 0.00 0.00 46.02 46.04 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 1.02 -0.02 0.00 -1.93 -0.65 103.07 101.48 3k8x h GLY 1998Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3k8x h GLY 1998CO 0.00 0.00 0.48 1.76 0.00 0.00 0.00 176.54 178.78 3k8x h SER 1999N 0.00 1.04 -0.19 0.19 0.02 -1.32 -2.58 113.55 110.71 3k8x h SER 1999Ca 0.69 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.50 3k8x h SER 1999Cb 2.85 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 65.12 3k8x h SER 1999CO -0.01 0.82 -0.10 -0.25 -1.14 0.00 0.00 176.83 176.15 3k8x h TRP 2000N 1.17 0.48 -0.44 3.45 2.91 -1.14 -3.33 115.95 119.05 3k8x h TRP 2000Ca 0.30 -0.12 0.09 0.00 1.13 0.00 0.00 58.89 60.29 3k8x h TRP 2000Cb -0.00 -0.11 -0.09 0.00 -0.51 0.00 0.00 29.16 28.44 3k8x h TRP 2000CO 0.00 0.71 -0.23 0.28 -1.03 0.00 0.00 178.44 178.18 3k8x h VAL 2001N 0.10 0.35 0.00 2.65 2.07 -1.30 0.81 116.25 120.93 3k8x h VAL 2001Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3k8x h VAL 2001Cb 0.59 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3k8x h VAL 2001CO 0.03 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.95 3k8x n VAL 2002N -5.40 0.72 -0.97 2.57 0.24 -1.03 -1.89 118.33 112.57 3k8x n VAL 2002Ca 0.03 0.18 0.07 0.00 -2.04 0.00 0.00 64.34 62.58 3k8x n VAL 2002Cb 0.31 -0.91 0.10 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.38 1.48 -2.19 3.34 0.24 0.16 -4.55 118.33 115.43 3k8x n VAL 2003Ca 0.06 -1.74 -0.41 0.00 -2.04 0.00 0.00 64.34 60.21 3k8x n VAL 2003Cb 0.15 0.01 -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 -2.26 6.86 0.42 -1.34 2.15 -0.50 -4.91 116.67 117.10 3k8x s ASP 2004Ca 0.22 2.46 0.29 0.00 0.43 0.00 0.00 52.55 55.95 3k8x s ASP 2004Cb 0.19 -2.62 1.48 0.00 -0.30 0.00 0.00 42.92 41.68 3k8x s ASP 2004CO 0.02 -0.54 1.88 1.55 -0.17 0.00 0.00 175.17 177.91 3k8x h PRO 2005N 5.08 0.00 0.00 4.34 0.13 -1.91 -1.19 132.00 138.45 3k8x h PRO 2005Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3k8x h PRO 2005Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3k8x h PRO 2005CO 0.76 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.78 3k8x n THR 2006N -2.54 0.61 -0.13 1.56 -2.24 -1.26 -1.87 114.28 108.41 3k8x n THR 2006Ca -0.01 0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.88 3k8x n THR 2006Cb 0.10 -0.82 0.15 0.00 -2.10 0.00 0.00 70.33 67.66 3k8x n THR 2006CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3k8x h ILE 2007N 0.00 1.24 -1.56 2.28 2.04 -1.58 -3.38 117.51 116.55 3k8x h ILE 2007Ca 0.00 -0.96 -0.32 0.00 1.00 0.00 0.00 64.86 64.58 3k8x h ILE 2007Cb 0.30 0.79 -0.25 0.00 -0.74 0.00 0.00 36.82 36.93 3k8x h ILE 2007CO 0.00 0.35 -0.67 0.21 0.00 0.00 0.00 178.15 178.03 3k8x s ASN 2008N -6.61 -0.22 0.52 1.72 3.84 -0.99 -4.65 114.94 108.55 3k8x s ASN 2008Ca -0.10 -2.13 0.30 0.00 0.21 0.00 0.00 52.86 51.14 3k8x s ASN 2008Cb 0.15 0.98 1.21 0.00 -0.55 0.00 0.00 41.25 43.03 3k8x s ASN 2008CO 0.81 -0.12 1.93 0.00 -2.79 0.00 0.00 177.10 176.94 3k8x h ALA 2009N 5.52 1.01 -0.19 1.71 0.00 -1.57 -0.59 119.26 125.16 3k8x h ALA 2009Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3k8x h ALA 2009Cb 1.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3k8x h ALA 2009CO 0.16 0.08 -0.04 -0.44 0.00 0.00 0.00 179.25 179.01 3k8x h ASP 2010N 0.00 0.26 0.00 0.00 3.45 -1.95 -3.35 116.42 114.82 3k8x h ASP 2010Ca -0.00 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 3k8x h ASP 2010Cb 0.59 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.29 3k8x h ASP 2010CO 0.01 0.35 -1.11 0.00 -1.57 0.00 0.00 179.24 176.92 3k8x n GLN 2011N -4.34 0.84 -3.96 3.56 1.13 -0.90 -4.99 117.38 108.73 3k8x n GLN 2011Ca -0.00 -0.02 -0.37 0.00 -1.94 0.00 0.00 57.00 54.68 3k8x n GLN 2011Cb 0.21 -1.05 -0.07 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.13 3.39 -0.00 -1.09 -1.94 -0.28 0.03 119.30 117.28 3k8x s MET 2012Ca -0.01 -0.18 0.02 0.00 -1.71 0.00 0.00 55.69 53.81 3k8x s MET 2012Cb 0.01 -3.13 -0.00 0.00 2.01 0.00 0.00 34.83 33.72 3k8x s MET 2012CO 0.09 0.76 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.59 3k8x s GLU 2013N -0.97 0.40 -0.06 2.03 2.02 -0.34 -4.79 118.70 117.00 3k8x s GLU 2013Ca 0.15 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 54.96 3k8x s GLU 2013Cb -0.12 -0.39 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 3k8x s GLU 2013CO 0.04 0.11 -0.06 1.41 0.02 0.00 0.00 175.26 176.77 3k8x s MET 2014N -0.13 2.74 0.06 1.61 -2.45 -1.26 -0.04 119.30 119.83 3k8x s MET 2014Ca 0.02 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 53.94 3k8x s MET 2014Cb -0.02 -2.60 -0.03 0.00 1.25 0.00 0.00 34.83 33.43 3k8x s MET 2014CO -0.00 0.66 -0.12 0.71 1.05 0.00 0.00 175.02 177.32 3k8x s TYR 2015N -0.85 1.00 -0.04 4.11 1.51 0.28 -0.28 117.35 123.08 3k8x s TYR 2015Ca 0.13 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 3k8x s TYR 2015Cb -0.11 -0.57 0.01 0.00 -0.11 0.00 0.00 41.96 41.17 3k8x s TYR 2015CO 0.03 0.00 -0.10 0.00 -1.11 0.00 0.00 175.55 174.37 3k8x s ALA 2016N -1.33 0.99 0.63 3.71 0.00 -1.09 -1.38 121.76 123.28 3k8x s ALA 2016Ca -0.05 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.38 3k8x s ALA 2016Cb -0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3k8x s ALA 2016CO 0.02 0.13 1.23 0.34 0.00 0.00 0.00 175.76 177.48 3k8x s ASP 2017N 0.34 4.84 0.53 0.00 2.15 -0.30 -0.86 116.67 123.38 3k8x s ASP 2017Ca -0.06 2.45 0.22 0.00 0.43 0.00 0.00 52.55 55.59 3k8x s ASP 2017Cb -0.11 -2.60 1.38 0.00 -0.30 0.00 0.00 42.92 41.29 3k8x s ASP 2017CO 0.01 -1.83 2.08 -0.37 -0.17 0.00 0.00 175.17 174.89 3k8x h VAL 2018N 0.57 0.82 -0.85 1.11 -1.51 -1.30 -1.95 116.25 113.15 3k8x h VAL 2018Ca -0.50 0.00 -0.39 0.00 -1.23 0.00 0.00 66.70 64.58 3k8x h VAL 2018Cb 1.31 0.87 -0.23 0.00 -2.13 0.00 0.00 31.29 31.11 3k8x h VAL 2018CO 0.54 0.00 0.46 0.59 -1.23 0.00 0.00 177.57 177.93 3k8x n ASN 2019N -4.38 3.94 -5.01 4.19 3.02 -1.26 -4.67 115.26 111.09 3k8x n ASN 2019Ca 0.03 -3.51 -0.17 0.00 -0.03 0.00 0.00 54.58 50.90 3k8x n ASN 2019Cb 0.33 -0.79 0.01 0.00 -0.61 0.00 0.00 39.78 38.73 3k8x n ASN 2019CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k8x s ALA 2020N -3.20 4.51 0.04 5.41 0.00 -0.73 -0.98 121.76 126.80 3k8x s ALA 2020Ca 0.55 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3k8x s ALA 2020Cb 0.46 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3k8x s ALA 2020CO 0.11 -0.27 -0.08 1.03 0.00 0.00 0.00 175.76 176.54 3k8x s ARG 2021N -4.35 0.56 -0.13 0.00 1.81 -0.75 -4.27 118.95 111.82 3k8x s ARG 2021Ca 0.55 -0.71 -0.26 0.00 -1.72 0.00 0.00 55.73 53.59 3k8x s ARG 2021Cb -0.10 -0.38 0.06 0.00 -0.45 0.00 0.00 34.95 34.09 3k8x s ARG 2021CO 0.33 0.08 0.63 0.00 -0.68 0.00 0.00 175.30 175.65 3k8x s ALA 2022N -1.22 -1.59 -0.09 2.13 0.00 -0.64 -2.12 121.76 118.23 3k8x s ALA 2022Ca -0.08 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 3k8x s ALA 2022Cb -0.09 -0.47 0.09 0.00 0.00 0.00 0.00 23.12 22.65 3k8x s ALA 2022CO 0.01 -0.33 1.27 0.41 0.00 0.00 0.00 175.76 177.12 3k8x n GLY 2023N 1.77 0.10 0.34 0.00 0.00 -1.22 -4.36 105.19 101.82 3k8x n GLY 2023Ca -0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 1.92 1.25 -3.77 1.61 2.07 -1.94 -2.15 116.25 115.24 3k8x h VAL 2024Ca -0.18 -0.71 -0.38 0.00 0.82 0.00 0.00 66.70 66.26 3k8x h VAL 2024Cb 1.08 0.24 -0.19 0.00 -1.52 0.00 0.00 31.29 30.90 3k8x h VAL 2024CO 0.27 0.30 -0.76 -0.76 0.02 0.00 0.00 177.57 176.64 3k8x s LEU 2025N -9.74 2.35 0.73 2.57 1.43 -1.26 -2.51 118.68 112.25 3k8x s LEU 2025Ca -0.12 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 3k8x s LEU 2025Cb 0.16 -0.45 0.04 0.00 0.03 0.00 0.00 46.19 45.97 3k8x s LEU 2025CO 0.82 -0.15 1.21 -1.61 0.23 0.00 0.00 176.35 176.85 3k8x s GLU 2026N -2.33 2.16 0.23 1.70 2.02 -1.26 -4.77 118.70 116.46 3k8x s GLU 2026Ca 0.03 1.76 -0.14 0.00 0.02 0.00 0.00 54.97 56.65 3k8x s GLU 2026Cb -0.06 -1.84 0.29 0.00 0.10 0.00 0.00 34.13 32.62 3k8x s GLU 2026CO 0.02 -1.82 1.58 -1.35 0.02 0.00 0.00 175.26 173.71 3k8x h PRO 2027N -0.26 -0.03 -0.31 0.39 0.11 -1.92 -0.91 132.00 129.07 3k8x h PRO 2027Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3k8x h PRO 2027Cb 1.30 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 3k8x h PRO 2027CO 0.50 -0.02 -0.02 0.37 -0.21 0.00 0.00 178.00 178.62 3k8x h GLN 2028N -0.04 0.06 -0.64 1.05 4.15 -1.93 -0.33 115.11 117.44 3k8x h GLN 2028Ca 0.36 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.76 3k8x h GLN 2028Cb 0.60 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3k8x h GLN 2028CO -0.85 0.04 0.33 0.78 -1.93 0.00 0.00 178.83 177.20 3k8x h GLY 2029N 0.07 0.95 0.93 2.39 0.00 -1.70 -2.37 103.07 103.35 3k8x h GLY 2029Ca 0.15 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 3k8x h GLY 2029CO -0.27 0.42 -0.37 1.98 0.00 0.00 0.00 176.54 178.30 3k8x h MET 2030N 0.90 0.62 -0.63 4.80 1.85 -0.37 -3.17 114.93 118.92 3k8x h MET 2030Ca 0.22 -0.39 -0.03 0.00 -0.61 0.00 0.00 59.70 58.89 3k8x h MET 2030Cb 0.06 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.10 3k8x h MET 2030CO -0.03 1.00 0.27 0.28 -0.40 0.00 0.00 176.91 178.02 3k8x h VAL 2031N 0.31 1.23 0.00 -5.77 2.07 -1.02 0.70 116.25 113.76 3k8x h VAL 2031Ca 0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3k8x h VAL 2031Cb 0.97 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3k8x h VAL 2031CO 0.08 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.56 3k8x n GLY 2032N -0.86 -0.23 0.00 2.17 0.00 -0.90 -0.81 105.19 104.56 3k8x n GLY 2032Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3k8x n GLY 2032CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3k8x n ILE 2033N -0.84 0.00 0.20 -0.61 5.41 -0.92 -4.90 119.36 117.69 3k8x n ILE 2033Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.81 3k8x n ILE 2033Cb 0.02 -0.28 -0.01 0.00 -0.71 0.00 0.00 39.64 38.66 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 -1.81 3.16 -3.14 0.38 4.01 0.19 -4.69 118.16 116.26 3k8x n LYS 2034Ca 0.00 -0.32 -0.20 0.00 -0.51 0.00 0.00 58.31 57.27 3k8x n LYS 2034Cb 0.23 -0.86 -0.04 0.00 -0.51 0.00 0.00 35.03 33.86 3k8x n LYS 2034CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3k8x n PHE 2035N -0.54 0.98 -1.89 2.13 -0.00 0.01 -4.97 117.46 113.17 3k8x n PHE 2035Ca 0.02 -3.84 -0.29 0.00 -0.00 0.00 0.00 57.45 53.33 3k8x n PHE 2035Cb 0.09 -0.43 0.11 0.00 -0.00 0.00 0.00 39.48 39.25 3k8x n PHE 2035CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3k8x s ARG 2036N -2.56 1.66 0.21 -4.13 1.81 -1.23 -4.65 118.95 110.07 3k8x s ARG 2036Ca 0.41 0.01 -0.18 0.00 -1.72 0.00 0.00 55.73 54.25 3k8x s ARG 2036Cb 0.32 -1.92 0.20 0.00 -0.45 0.00 0.00 34.95 33.09 3k8x s ARG 2036CO -0.09 -1.79 1.47 0.54 -0.68 0.00 0.00 175.30 174.75 3k8x n ARG 2037N -3.43 -0.24 -0.04 3.54 1.74 -1.26 -1.28 116.66 115.68 3k8x n ARG 2037Ca 0.09 1.46 -0.10 0.00 -0.77 0.00 0.00 57.85 58.53 3k8x n ARG 2037Cb 0.61 -2.16 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 3k8x n ARG 2037CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3k8x h GLU 2038N 0.00 -0.36 -0.34 5.56 4.81 -2.00 -2.05 114.58 120.20 3k8x h GLU 2038Ca 0.31 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3k8x h GLU 2038Cb 0.55 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3k8x h GLU 2038CO -0.94 -0.24 0.22 -0.22 -0.73 0.00 0.00 179.01 177.11 3k8x h LYS 2039N -0.38 0.43 -0.56 1.92 3.64 -1.53 -0.97 116.57 119.13 3k8x h LYS 2039Ca 0.11 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3k8x h LYS 2039Cb 0.57 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3k8x h LYS 2039CO -0.43 0.28 0.28 -0.07 -2.27 0.00 0.00 179.45 177.24 3k8x h LEU 2040N 0.44 0.70 -0.08 5.20 3.38 -0.69 -2.93 115.31 121.34 3k8x h LEU 2040Ca 0.12 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3k8x h LEU 2040Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3k8x h LEU 2040CO -0.03 0.59 -1.00 -0.07 0.09 0.00 0.00 178.44 178.02 3k8x h LEU 2041N 0.78 0.14 -1.63 1.67 3.38 -0.63 -2.31 115.31 116.71 3k8x h LEU 2041Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3k8x h LEU 2041Cb 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3k8x h LEU 2041CO -0.03 1.05 -0.21 0.44 0.09 0.00 0.00 178.44 179.79 3k8x h ASP 2042N 0.03 0.00 0.64 -0.43 3.45 -1.34 -1.95 116.42 116.84 3k8x h ASP 2042Ca -0.04 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.19 3k8x h ASP 2042Cb 1.72 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 40.45 3k8x h ASP 2042CO 0.14 0.21 -1.50 0.00 -1.57 0.00 0.00 179.24 176.52 3k8x h THR 2043N 0.00 0.75 -0.71 0.35 1.03 -1.37 -3.17 112.91 109.79 3k8x h THR 2043Ca -0.00 -2.43 -0.03 0.00 -0.01 0.00 0.00 66.41 63.94 3k8x h THR 2043Cb 0.44 2.28 -0.03 0.00 -1.07 0.00 0.00 68.15 69.77 3k8x h THR 2043CO 0.03 0.43 0.33 0.24 -0.01 0.00 0.00 175.52 176.54 3k8x h MET 2044N 0.00 1.02 -0.01 0.00 2.86 -1.33 -2.53 114.93 114.93 3k8x h MET 2044Ca -0.21 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3k8x h MET 2044Cb 1.80 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.28 3k8x h MET 2044CO 0.07 0.81 0.01 -0.97 1.06 0.00 0.00 176.91 177.88 3k8x h ASN 2045N 0.99 0.00 0.35 1.22 -1.24 -1.39 0.11 115.58 115.62 3k8x h ASN 2045Ca 0.24 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.16 3k8x h ASN 2045Cb 0.13 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 3k8x h ASN 2045CO -0.03 0.00 -1.74 -1.14 -1.29 0.00 0.00 177.43 173.24 3k8x n ARG 2046N -4.15 0.65 0.00 6.67 3.00 -1.13 -4.70 116.66 116.99 3k8x n ARG 2046Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 3k8x n ARG 2046Cb 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 30.91 3k8x n ARG 2046CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3k8x n LEU 2047N -2.56 0.00 -4.20 6.15 7.99 -0.97 -4.88 117.00 118.53 3k8x n LEU 2047Ca -0.09 -0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.53 3k8x n LEU 2047Cb 0.72 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.92 3k8x n LEU 2047CO 0.44 0.00 -0.16 -0.62 -1.51 0.00 0.00 177.39 175.54 3k8x s ASP 2048N -1.80 5.40 0.24 -1.43 2.15 0.36 -5.00 116.67 116.59 3k8x s ASP 2048Ca 0.00 -1.68 -0.11 0.00 0.43 0.00 0.00 52.55 51.18 3k8x s ASP 2048Cb 0.00 -1.89 0.33 0.00 -0.30 0.00 0.00 42.92 41.05 3k8x s ASP 2048CO 0.00 -0.51 1.60 0.44 -0.17 0.00 0.00 175.17 176.53 3k8x h ASP 2049N 8.23 -0.69 -0.64 -0.34 3.32 -1.90 -1.82 116.42 122.58 3k8x h ASP 2049Ca -0.19 0.23 0.13 0.00 0.02 0.00 0.00 57.03 57.22 3k8x h ASP 2049Cb 1.07 0.47 -0.10 0.00 0.22 0.00 0.00 39.33 40.99 3k8x h ASP 2049CO 0.71 -0.25 0.10 0.11 -1.72 0.00 0.00 179.24 178.19 3k8x h LYS 2050N 0.00 0.21 -7.28 3.56 1.57 -1.94 -3.52 116.57 109.17 3k8x h LYS 2050Ca 0.37 -0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 58.68 3k8x h LYS 2050Cb 0.57 -0.05 0.17 0.00 0.08 0.00 0.00 32.23 33.01 3k8x h LYS 2050CO -0.78 0.14 0.16 -0.47 -0.57 0.00 0.00 179.45 177.92 3k8x s TYR 2051N -6.11 1.90 -0.04 -1.35 5.04 -0.69 -5.17 117.35 110.94 3k8x s TYR 2051Ca -0.13 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.69 3k8x s TYR 2051Cb 0.19 -3.19 0.04 0.00 0.35 0.00 0.00 41.96 39.35 3k8x s TYR 2051CO 0.74 -3.05 0.94 0.54 -1.34 0.00 0.00 175.55 173.38 3k8x n ARG 2080N -4.32 0.15 -1.36 4.97 1.74 -1.26 -4.85 116.66 111.72 3k8x n ARG 2080Ca 0.05 -0.89 -0.29 0.00 -0.77 0.00 0.00 57.85 55.95 3k8x n ARG 2080Cb 0.55 0.48 0.10 0.00 -1.02 0.00 0.00 32.46 32.58 3k8x n ARG 2080CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3k8x n GLU 2081N -0.17 2.66 -0.00 5.56 0.00 -1.26 -4.34 120.64 123.10 3k8x n GLU 2081Ca -0.23 -3.34 0.05 0.00 0.00 0.00 0.00 57.16 53.64 3k8x n GLU 2081Cb 0.66 -2.23 -0.06 0.00 0.00 0.00 0.00 31.44 29.81 3k8x n GLU 2081CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3k8x n LEU 2082N -0.95 0.51 -0.34 4.31 4.77 -1.26 -4.69 117.00 119.35 3k8x n LEU 2082Ca 0.58 -0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.13 3k8x n LEU 2082Cb 0.93 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 42.23 3k8x n LEU 2082CO 0.66 0.13 1.20 -0.07 -1.33 0.00 0.00 177.39 177.98 3k8x h LEU 2083N 0.00 0.84 -0.17 2.23 3.38 -1.98 0.15 115.31 119.76 3k8x h LEU 2083Ca 0.00 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3k8x h LEU 2083Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k8x h LEU 2083CO 0.00 0.46 0.03 -0.65 0.09 0.00 0.00 178.44 178.37 3k8x h PRO 2084N 0.93 0.10 0.01 1.13 0.11 -1.93 -1.15 132.00 131.20 3k8x h PRO 2084Ca 0.46 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.35 3k8x h PRO 2084Cb 0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3k8x h PRO 2084CO -0.26 0.07 -0.93 0.97 -0.21 0.00 0.00 178.00 177.64 3k8x h ILE 2085N 0.11 1.48 0.00 4.15 6.09 -1.76 -2.81 117.51 124.77 3k8x h ILE 2085Ca 0.08 -2.65 -0.14 0.00 -1.37 0.00 0.00 64.86 60.77 3k8x h ILE 2085Cb 0.07 2.51 -0.02 0.00 0.47 0.00 0.00 36.82 39.85 3k8x h ILE 2085CO -0.10 0.78 -0.66 1.88 -3.07 0.00 0.00 178.15 176.98 3k8x h TYR 2086N 0.13 0.00 -0.73 2.19 -1.99 -0.75 -1.37 116.97 114.45 3k8x h TYR 2086Ca -0.06 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 3k8x h TYR 2086Cb 1.57 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.27 3k8x h TYR 2086CO 0.04 0.66 0.36 0.78 -0.00 0.00 0.00 178.16 179.99 3k8x h GLY 2087N 2.57 1.12 1.31 3.88 0.00 -1.24 -2.02 103.07 108.69 3k8x h GLY 2087Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3k8x h GLY 2087CO 0.09 0.52 -0.03 1.46 0.00 0.00 0.00 176.54 178.58 3k8x h GLN 2088N 1.02 0.84 -0.43 4.80 1.08 -1.18 -2.15 115.11 119.08 3k8x h GLN 2088Ca 0.25 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3k8x h GLN 2088Cb 0.10 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 3k8x h GLN 2088CO -0.03 0.85 0.05 0.82 -0.95 0.00 0.00 178.83 179.57 3k8x h ILE 2089N 0.77 1.21 -0.10 2.54 2.04 -1.08 -1.67 117.51 121.23 3k8x h ILE 2089Ca 0.14 -0.83 -0.23 0.00 1.00 0.00 0.00 64.86 64.94 3k8x h ILE 2089Cb 0.50 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3k8x h ILE 2089CO 0.03 0.29 -0.85 0.77 0.00 0.00 0.00 178.15 178.39 3k8x h SER 2090N 0.65 0.92 -0.05 1.72 4.64 -0.96 -0.29 113.55 120.19 3k8x h SER 2090Ca 0.14 -0.67 0.03 0.00 -0.47 0.00 0.00 61.79 60.82 3k8x h SER 2090Cb 0.34 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 3k8x h SER 2090CO 0.01 1.45 -0.17 -0.07 -0.87 0.00 0.00 176.83 177.18 3k8x h LEU 2091N 0.47 -0.50 -1.10 5.97 3.38 -1.29 0.04 115.31 122.29 3k8x h LEU 2091Ca -0.08 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3k8x h LEU 2091Cb 1.49 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.41 3k8x h LEU 2091CO 0.17 -0.22 0.61 -0.61 0.09 0.00 0.00 178.44 178.48 3k8x h GLN 2092N -0.25 1.14 -0.64 1.13 5.75 -1.32 0.17 115.11 121.09 3k8x h GLN 2092Ca 0.07 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3k8x h GLN 2092Cb 0.34 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 3k8x h GLN 2092CO -0.19 0.75 0.39 0.35 -2.65 0.00 0.00 178.83 177.48 3k8x h PHE 2093N 1.17 0.73 -0.26 3.99 3.57 -0.30 -1.54 116.94 124.30 3k8x h PHE 2093Ca 0.37 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 3k8x h PHE 2093Cb 0.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3k8x h PHE 2093CO -0.00 0.40 -0.08 0.00 -2.23 0.00 0.00 178.31 176.40 3k8x h ALA 2094N 1.29 0.36 -0.02 2.41 0.00 -0.43 -3.09 119.26 119.79 3k8x h ALA 2094Ca 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3k8x h ALA 2094Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k8x h ALA 2094CO -0.12 0.19 0.02 0.22 0.00 0.00 0.00 179.25 179.55 3k8x h ASP 2095N 0.26 0.00 0.73 0.00 3.58 -0.42 -0.60 116.42 119.97 3k8x h ASP 2095Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3k8x h ASP 2095Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3k8x h ASP 2095CO 0.03 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.57 3k8x n LEU 2096N -4.27 0.62 0.13 2.28 4.77 -0.60 -2.02 117.00 117.91 3k8x n LEU 2096Ca -0.03 0.65 0.05 0.00 -0.03 0.00 0.00 56.01 56.65 3k8x n LEU 2096Cb 0.11 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3k8x n LEU 2096CO 0.32 -0.53 0.35 0.45 -1.33 0.00 0.00 177.39 176.64 3k8x h HIS 2097N 0.00 0.00 -0.46 -1.77 3.86 -1.20 -3.39 115.15 112.19 3k8x h HIS 2097Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 3k8x h HIS 2097Cb 0.36 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.73 3k8x h HIS 2097CO 0.00 0.37 0.21 -0.25 0.86 0.00 0.00 177.93 179.12 3k8x n ASP 2098N -3.08 3.52 -4.95 2.45 8.00 -0.86 -4.73 116.55 116.91 3k8x n ASP 2098Ca -0.00 -2.74 -0.25 0.00 0.71 0.00 0.00 54.79 52.51 3k8x n ASP 2098Cb 0.70 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3k8x n ASP 2098CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3k8x s ARG 2099N -1.90 3.45 0.60 -1.24 1.81 -1.26 -1.62 118.95 118.80 3k8x s ARG 2099Ca 0.31 -0.58 0.29 0.00 -1.72 0.00 0.00 55.73 54.04 3k8x s ARG 2099Cb 0.25 -2.92 1.63 0.00 -0.45 0.00 0.00 34.95 33.46 3k8x s ARG 2099CO 0.07 0.47 2.03 0.66 -0.68 0.00 0.00 175.30 177.86 3k8x h SER 2100N 1.90 0.00 -0.67 0.23 4.64 -1.82 -1.64 113.55 116.18 3k8x h SER 2100Ca -0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 3k8x h SER 2100Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 3k8x h SER 2100CO 0.67 0.00 0.11 0.28 -0.87 0.00 0.00 176.83 177.02 3k8x h SER 2101N 0.00 1.06 -0.35 4.97 0.02 -1.93 -0.23 113.55 117.09 3k8x h SER 2101Ca 0.11 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3k8x h SER 2101Cb 0.68 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3k8x h SER 2101CO -0.00 1.05 0.15 0.03 -1.14 0.00 0.00 176.83 176.92 3k8x h ARG 2102N 1.04 0.52 -0.44 3.45 2.47 -1.59 -0.79 114.38 119.04 3k8x h ARG 2102Ca 0.21 -0.09 0.08 0.00 -1.26 0.00 0.00 59.98 58.92 3k8x h ARG 2102Cb 0.44 -0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.60 3k8x h ARG 2102CO 0.01 0.50 -0.01 0.52 0.56 0.00 0.00 179.97 181.55 3k8x h MET 2103N 0.43 0.10 -0.35 0.04 2.86 -1.29 1.07 114.93 117.78 3k8x h MET 2103Ca 0.12 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3k8x h MET 2103Cb 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3k8x h MET 2103CO -0.01 0.06 0.13 0.28 1.06 0.00 0.00 176.91 178.43 3k8x h VAL 2104N 0.10 1.20 -0.73 -2.22 2.07 -0.99 -1.25 116.25 114.43 3k8x h VAL 2104Ca 0.22 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3k8x h VAL 2104Cb 0.32 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3k8x h VAL 2104CO -0.37 0.21 0.33 0.00 0.02 0.00 0.00 177.57 177.77 3k8x h ALA 2105N 0.97 1.21 -0.06 1.67 0.00 0.41 -1.42 119.26 122.04 3k8x h ALA 2105Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k8x h ALA 2105Cb 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k8x h ALA 2105CO -0.01 0.59 0.00 1.63 0.00 0.00 0.00 179.25 181.46 3k8x n LYS 2106N -4.32 1.40 -2.09 0.00 4.76 0.36 -4.93 118.16 113.34 3k8x n LYS 2106Ca 0.07 -0.59 -0.14 0.00 -2.87 0.00 0.00 58.31 54.77 3k8x n LYS 2106Cb 0.15 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.03 0.13 0.01 0.72 0.00 -0.54 -4.93 105.19 101.61 3k8x n GLY 2107Ca 0.18 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.71 0.00 -4.37 1.61 0.24 -0.53 -4.93 118.33 106.63 3k8x n VAL 2108Ca -0.17 -0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.94 3k8x n VAL 2108Cb 0.60 0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 33.34 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 -2.99 1.85 0.06 1.34 -4.36 -1.25 -4.83 121.20 111.02 3k8x s ILE 2109Ca 0.10 -2.24 -0.16 0.00 -0.26 0.00 0.00 60.65 58.09 3k8x s ILE 2109Cb 0.17 -2.09 -0.22 0.00 1.25 0.00 0.00 42.46 41.57 3k8x s ILE 2109CO 0.74 -0.56 1.18 0.28 0.24 0.00 0.00 174.94 176.82 3k8x h SER 2110N 2.51 0.80 -4.96 4.36 0.02 -1.00 -3.46 113.55 111.82 3k8x h SER 2110Ca -0.38 -0.73 -0.05 0.00 -0.84 0.00 0.00 61.79 59.79 3k8x h SER 2110Cb 1.23 -0.24 -0.18 0.00 0.14 0.00 0.00 62.40 63.34 3k8x h SER 2110CO 0.62 1.42 0.21 -0.54 -1.14 0.00 0.00 176.83 177.40 3k8x s LYS 2111N -3.35 1.07 0.20 3.45 1.02 -1.26 -5.09 119.74 115.77 3k8x s LYS 2111Ca -0.11 0.15 -0.14 0.00 0.02 0.00 0.00 55.97 55.89 3k8x s LYS 2111Cb 0.06 0.50 -0.07 0.00 -0.52 0.00 0.00 37.83 37.80 3k8x s LYS 2111CO 0.89 -0.36 0.59 -1.83 -0.92 0.00 0.00 175.35 173.72 3k8x s GLU 2112N -1.56 3.97 0.14 1.68 -1.05 -1.26 -2.69 118.70 117.93 3k8x s GLU 2112Ca -0.09 0.51 0.05 0.00 -0.15 0.00 0.00 54.97 55.29 3k8x s GLU 2112Cb -0.00 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 3k8x s GLU 2112CO 0.06 0.39 -0.11 -0.51 0.95 0.00 0.00 175.26 176.04 3k8x s LEU 2113N -2.28 2.49 -0.21 1.83 1.43 -0.03 -4.91 118.68 117.00 3k8x s LEU 2113Ca 0.43 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 3k8x s LEU 2113Cb -0.14 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 3k8x s LEU 2113CO 0.20 -0.27 0.10 -1.61 0.23 0.00 0.00 176.35 174.99 3k8x s GLU 2114N -3.40 3.98 0.29 1.70 2.02 -1.26 -0.77 118.70 121.26 3k8x s GLU 2114Ca 0.14 -0.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 3k8x s GLU 2114Cb 0.00 -3.34 0.66 0.00 0.10 0.00 0.00 34.13 31.55 3k8x s GLU 2114CO 0.01 0.15 1.60 2.35 0.02 0.00 0.00 175.26 179.39 3k8x h TRP 2115N 7.14 -0.00 -0.80 1.61 2.91 -1.98 -1.05 115.95 123.77 3k8x h TRP 2115Ca -0.38 0.06 0.10 0.00 1.13 0.00 0.00 58.89 59.81 3k8x h TRP 2115Cb 1.17 0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.91 3k8x h TRP 2115CO 0.61 -0.35 0.52 1.15 -1.03 0.00 0.00 178.44 179.34 3k8x h THR 2116N 0.06 0.94 -0.55 2.65 2.02 -1.95 -1.86 112.91 114.22 3k8x h THR 2116Ca 0.54 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.47 3k8x h THR 2116Cb 1.08 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3k8x h THR 2116CO -0.82 0.13 0.00 -0.62 0.37 0.00 0.00 175.52 174.58 3k8x n GLU 2117N -4.51 2.48 0.01 6.66 -0.58 -0.42 -0.61 120.64 123.67 3k8x n GLU 2117Ca 0.14 -2.28 -0.08 0.00 -0.42 0.00 0.00 57.16 54.52 3k8x n GLU 2117Cb 0.33 -1.51 0.09 0.00 -0.57 0.00 0.00 31.44 29.79 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 4.31 0.80 0.13 0.62 0.00 -1.08 -0.77 119.26 123.26 3k8x h ALA 2118Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3k8x h ALA 2118Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3k8x h ALA 2118CO 0.00 0.67 -0.06 -0.09 0.00 0.00 0.00 179.25 179.77 3k8x h ARG 2119N 0.40 -0.16 -0.54 0.00 2.43 -1.81 0.35 114.38 115.06 3k8x h ARG 2119Ca 0.02 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3k8x h ARG 2119Cb 1.00 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.53 3k8x h ARG 2119CO 0.09 0.06 0.26 0.00 -1.51 0.00 0.00 179.97 178.87 3k8x h ARG 2120N -0.36 0.49 0.02 0.20 3.08 -1.70 0.12 114.38 116.22 3k8x h ARG 2120Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3k8x h ARG 2120Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3k8x h ARG 2120CO 0.03 0.32 -0.01 0.35 -1.07 0.00 0.00 179.97 179.59 3k8x h PHE 2121N 0.50 -0.03 -0.08 3.04 3.57 -0.78 -3.09 116.94 120.06 3k8x h PHE 2121Ca 0.24 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 3k8x h PHE 2121Cb 0.18 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3k8x h PHE 2121CO -0.11 0.21 -0.36 0.74 -2.23 0.00 0.00 178.31 176.56 3k8x h PHE 2122N -0.27 0.20 -0.16 0.41 0.05 -0.18 -1.43 116.94 115.55 3k8x h PHE 2122Ca -0.00 -0.05 -0.00 0.00 3.82 0.00 0.00 57.97 61.74 3k8x h PHE 2122Cb 0.25 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.15 3k8x h PHE 2122CO 0.01 0.52 0.09 0.35 -0.18 0.00 0.00 178.31 179.09 3k8x h PHE 2123N 0.15 0.21 -0.01 -0.55 3.57 -0.97 -0.02 116.94 119.32 3k8x h PHE 2123Ca 0.02 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 3k8x h PHE 2123Cb 0.72 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3k8x h PHE 2123CO 0.01 0.18 -0.81 -1.49 -2.23 0.00 0.00 178.31 173.97 3k8x h TRP 2124N 0.17 0.25 -0.16 0.41 4.06 -1.45 -1.02 115.95 118.21 3k8x h TRP 2124Ca 0.06 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 3k8x h TRP 2124Cb 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 3k8x h TRP 2124CO -0.05 0.91 0.08 -0.09 -3.56 0.00 0.00 178.44 175.73 3k8x h ARG 2125N 0.10 0.23 -0.27 0.49 9.65 -1.07 0.16 114.38 123.66 3k8x h ARG 2125Ca -0.03 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3k8x h ARG 2125Cb 1.41 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.94 3k8x h ARG 2125CO 0.12 0.24 0.02 1.25 2.80 0.00 0.00 179.97 184.41 3k8x h LEU 2126N 0.15 0.45 -0.53 3.80 5.85 -1.01 0.87 115.31 124.89 3k8x h LEU 2126Ca 0.06 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3k8x h LEU 2126Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3k8x h LEU 2126CO -0.01 0.62 0.35 -0.09 -0.34 0.00 0.00 178.44 178.97 3k8x h ARG 2127N 0.27 0.69 -0.53 1.25 2.43 -1.12 0.23 114.38 117.60 3k8x h ARG 2127Ca 0.08 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3k8x h ARG 2127Cb 0.38 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3k8x h ARG 2127CO 0.01 0.46 0.32 -0.09 -1.51 0.00 0.00 179.97 179.16 3k8x h ARG 2128N 0.71 0.71 -0.80 0.20 1.12 -0.50 -2.33 114.38 113.49 3k8x h ARG 2128Ca 0.19 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.96 3k8x h ARG 2128Cb -0.08 -0.15 -0.04 0.00 -0.01 0.00 0.00 29.97 29.70 3k8x h ARG 2128CO -0.04 0.51 0.34 0.00 -3.11 0.00 0.00 179.97 177.67 3k8x h ARG 2129N 0.71 1.18 -0.66 0.20 3.08 -0.19 -0.73 114.38 117.96 3k8x h ARG 2129Ca 0.19 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3k8x h ARG 2129Cb -0.02 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3k8x h ARG 2129CO -0.04 0.94 0.28 -0.07 -1.07 0.00 0.00 179.97 180.01 3k8x h LEU 2130N 1.15 0.88 -0.11 3.04 3.38 -0.36 0.12 115.31 123.40 3k8x h LEU 2130Ca 0.27 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3k8x h LEU 2130Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3k8x h LEU 2130CO -0.03 0.77 -0.19 0.78 0.09 0.00 0.00 178.44 179.87 3k8x h ASN 2131N 0.95 0.35 -0.21 -0.43 2.35 -0.91 -2.31 115.58 115.37 3k8x h ASN 2131Ca 0.23 -0.55 -0.10 0.00 -0.55 0.00 0.00 56.30 55.33 3k8x h ASN 2131Cb 0.16 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3k8x h ASN 2131CO -0.02 0.83 -0.19 -0.33 -1.65 0.00 0.00 177.43 176.07 3k8x h GLU 2132N -0.12 0.65 -0.57 0.81 5.08 -0.94 -2.33 114.58 117.16 3k8x h GLU 2132Ca 0.01 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3k8x h GLU 2132Cb 0.77 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3k8x h GLU 2132CO 0.04 0.80 0.36 0.93 -1.00 0.00 0.00 179.01 180.14 3k8x h GLU 2133N 0.58 0.70 -0.67 2.33 4.39 -0.78 -0.03 114.58 121.09 3k8x h GLU 2133Ca 0.09 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.80 3k8x h GLU 2133Cb 0.64 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 3k8x h GLU 2133CO 0.05 0.46 0.38 -0.92 -1.16 0.00 0.00 179.01 177.82 3k8x h TYR 2134N 0.72 0.71 -0.34 4.33 3.20 -1.13 -1.59 116.97 122.86 3k8x h TYR 2134Ca 0.22 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 3k8x h TYR 2134Cb -0.02 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 3k8x h TYR 2134CO -0.05 0.35 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.47 3k8x h LEU 2135N 0.72 0.73 -0.75 2.82 3.38 -0.85 -2.19 115.31 119.17 3k8x h LEU 2135Ca 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3k8x h LEU 2135Cb 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3k8x h LEU 2135CO -0.17 0.97 0.43 0.40 0.09 0.00 0.00 178.44 180.17 3k8x h ILE 2136N 0.61 1.22 -0.44 1.22 2.04 -0.54 -1.83 117.51 119.80 3k8x h ILE 2136Ca 0.08 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3k8x h ILE 2136Cb 0.79 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3k8x h ILE 2136CO 0.06 0.24 0.10 0.11 0.00 0.00 0.00 178.15 178.66 3k8x h LYS 2137N 1.04 0.70 -0.93 2.37 1.57 -1.16 0.29 116.57 120.45 3k8x h LYS 2137Ca 0.27 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 3k8x h LYS 2137Cb -0.00 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 3k8x h LYS 2137CO -0.05 0.71 0.60 0.00 -0.57 0.00 0.00 179.45 180.14 3k8x h ARG 2138N 0.57 0.95 -0.06 3.15 2.47 -1.22 -1.44 114.38 118.80 3k8x h ARG 2138Ca 0.14 -0.06 -0.22 0.00 -1.26 0.00 0.00 59.98 58.58 3k8x h ARG 2138Cb 0.33 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3k8x h ARG 2138CO 0.00 0.63 -0.85 1.25 0.56 0.00 0.00 179.97 181.56 3k8x h LEU 2139N 0.98 0.68 -0.31 3.04 5.85 -0.73 -3.11 115.31 121.71 3k8x h LEU 2139Ca 0.42 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3k8x h LEU 2139Cb 0.34 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3k8x h LEU 2139CO -0.18 1.27 -0.01 0.28 -0.34 0.00 0.00 178.44 179.46 3k8x h SER 2140N 0.35 -0.15 -0.41 1.25 0.02 -0.43 -3.39 113.55 110.79 3k8x h SER 2140Ca -0.07 0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 3k8x h SER 2140Cb 1.47 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 64.12 3k8x h SER 2140CO 0.16 -0.04 0.74 1.41 -1.14 0.00 0.00 176.83 177.96 3k8x n HIS 2141N -5.18 0.92 -3.62 3.45 8.25 -0.59 -4.73 115.22 113.72 3k8x n HIS 2141Ca 0.00 0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 3k8x n HIS 2141Cb 0.16 -2.15 -0.04 0.00 1.12 0.00 0.00 29.99 29.08 3k8x n HIS 2141CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3k8x s GLN 2142N 8.44 0.26 -0.07 -0.41 -0.21 -1.26 -5.00 119.66 121.40 3k8x s GLN 2142Ca 1.04 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 56.15 3k8x s GLN 2142Cb -0.35 0.12 -0.02 0.00 1.00 0.00 0.00 33.01 33.76 3k8x s GLN 2142CO 0.23 -0.09 1.12 0.14 -2.12 0.00 0.00 175.29 174.57 3k8x s VAL 2143N -1.31 4.48 0.00 1.09 -7.23 -1.26 -4.80 120.40 111.36 3k8x s VAL 2143Ca 0.06 1.78 0.00 0.00 -1.81 0.00 0.00 61.98 62.00 3k8x s VAL 2143Cb -0.01 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.79 3k8x s VAL 2143CO -0.05 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3k8x n GLY 2144N 3.24 0.60 3.51 2.32 0.00 -1.26 -5.13 105.19 108.46 3k8x n GLY 2144Ca 0.10 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 3k8x n GLY 2144CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k8x s GLU 2145N -1.93 1.83 0.16 1.61 2.56 -1.26 -5.03 118.70 116.64 3k8x s GLU 2145Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 54.97 53.29 3k8x s GLU 2145Cb 0.00 -1.89 -0.03 0.00 2.00 0.00 0.00 34.13 34.21 3k8x s GLU 2145CO 0.00 0.35 0.18 0.00 -0.56 0.00 0.00 175.26 175.23 3k8x s ALA 2146N -2.33 0.54 0.75 6.30 0.00 -1.26 -5.16 121.76 120.60 3k8x s ALA 2146Ca 0.29 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 3k8x s ALA 2146Cb -0.06 0.97 0.04 0.00 0.00 0.00 0.00 23.12 24.07 3k8x s ALA 2146CO 0.16 -0.59 1.08 -1.54 0.00 0.00 0.00 175.76 174.87 3k8x s SER 2147N -3.04 4.80 0.21 0.00 1.04 -1.26 -4.87 113.70 110.58 3k8x s SER 2147Ca 0.24 1.60 -0.09 0.00 0.48 0.00 0.00 55.95 58.18 3k8x s SER 2147Cb 0.05 -2.39 0.27 0.00 0.10 0.00 0.00 66.02 64.05 3k8x s SER 2147CO 0.03 -1.81 1.78 -0.09 0.98 0.00 0.00 173.24 174.13 3k8x h ARG 2148N -0.98 0.56 -0.87 4.02 2.43 -2.01 -1.53 114.38 116.00 3k8x h ARG 2148Ca -0.45 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 58.83 3k8x h ARG 2148Cb 1.23 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.57 3k8x h ARG 2148CO 0.56 0.37 0.48 -0.07 -1.51 0.00 0.00 179.97 179.80 3k8x h LEU 2149N 0.58 0.62 -0.39 3.80 3.38 -2.00 -1.74 115.31 119.56 3k8x h LEU 2149Ca 0.31 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 58.18 3k8x h LEU 2149Cb 0.28 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3k8x h LEU 2149CO -0.23 0.28 -0.80 -0.33 0.09 0.00 0.00 178.44 177.45 3k8x h GLU 2150N 0.70 0.18 -0.01 1.13 5.08 -1.76 -2.44 114.58 117.47 3k8x h GLU 2150Ca 0.46 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3k8x h GLU 2150Cb 0.60 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3k8x h GLU 2150CO -0.33 0.89 -0.00 0.87 -1.00 0.00 0.00 179.01 179.43 3k8x h LYS 2151N 0.11 0.02 -0.70 2.33 1.57 -0.48 -2.09 116.57 117.33 3k8x h LYS 2151Ca -0.03 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3k8x h LYS 2151Cb 1.40 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 3k8x h LYS 2151CO 0.12 0.42 0.22 -0.84 -0.57 0.00 0.00 179.45 178.80 3k8x h ILE 2152N -0.38 1.26 -0.71 1.86 3.07 -1.40 -2.12 117.51 119.08 3k8x h ILE 2152Ca 0.00 -0.89 0.07 0.00 1.55 0.00 0.00 64.86 65.59 3k8x h ILE 2152Cb 0.41 0.50 -0.06 0.00 -0.27 0.00 0.00 36.82 37.40 3k8x h ILE 2152CO 0.00 0.35 0.39 0.00 -1.05 0.00 0.00 178.15 177.84 3k8x h ALA 2153N 1.10 0.97 -0.28 0.16 0.00 -1.44 0.23 119.26 120.00 3k8x h ALA 2153Ca 0.23 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3k8x h ALA 2153Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3k8x h ALA 2153CO -0.01 0.04 -0.01 -0.09 0.00 0.00 0.00 179.25 179.18 3k8x h ARG 2154N 0.69 0.50 -0.50 0.00 2.43 -1.04 -1.52 114.38 114.94 3k8x h ARG 2154Ca 0.33 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3k8x h ARG 2154Cb 0.26 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3k8x h ARG 2154CO -0.21 0.67 0.24 0.82 -1.51 0.00 0.00 179.97 179.97 3k8x h ILE 2155N 0.28 1.19 0.00 1.20 2.04 -0.95 -2.74 117.51 118.52 3k8x h ILE 2155Ca 0.08 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3k8x h ILE 2155Cb 0.45 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3k8x h ILE 2155CO 0.02 0.21 -0.24 0.03 0.00 0.00 0.00 178.15 178.16 3k8x h ARG 2156N 0.66 0.00 0.00 2.37 3.08 -0.47 -0.50 114.38 119.52 3k8x h ARG 2156Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3k8x h ARG 2156Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3k8x h ARG 2156CO -0.02 0.24 0.00 -1.13 -1.07 0.00 0.00 179.97 177.99 3k8x n SER 2157N -3.52 0.00 0.08 7.04 3.41 -0.58 -2.34 113.62 117.70 3k8x n SER 2157Ca -0.01 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3k8x n SER 2157Cb 0.40 -0.44 0.14 0.00 -0.26 0.00 0.00 64.21 64.05 3k8x n SER 2157CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3k8x h TRP 2158N 0.00 0.00 -4.05 7.33 6.55 -1.04 -3.47 115.95 121.26 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 0.26 0.00 0.09 0.00 -0.86 0.00 0.00 29.16 28.64 3k8x h TRP 2158CO 0.00 0.00 0.48 0.71 -1.05 0.00 0.00 178.44 178.58 3k8x s TYR 2159N -3.20 2.63 0.43 0.49 4.12 -0.99 -4.95 117.35 115.87 3k8x s TYR 2159Ca 0.05 1.52 -0.25 0.00 0.02 0.00 0.00 57.07 58.41 3k8x s TYR 2159Cb 0.12 -3.43 -0.10 0.00 -1.52 0.00 0.00 41.96 37.04 3k8x s TYR 2159CO 0.73 -1.85 1.20 -2.30 0.02 0.00 0.00 175.55 173.35 3k8x n PRO 2160N -1.04 1.74 -0.01 -1.71 -0.02 -1.26 -4.84 135.00 127.86 3k8x n PRO 2160Ca 0.10 0.62 0.23 0.00 -2.02 0.00 0.00 63.50 62.44 3k8x n PRO 2160Cb 0.49 -2.29 0.72 0.00 -0.02 0.00 0.00 33.50 32.40 3k8x n PRO 2160CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k8x h ALA 2161N 1.89 2.40 -0.02 3.55 0.00 -1.94 -1.18 119.26 123.96 3k8x h ALA 2161Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3k8x h ALA 2161Cb 1.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3k8x h ALA 2161CO 0.59 -0.84 -0.22 -1.13 0.00 0.00 0.00 179.25 177.65 3k8x n SER 2162N -3.90 2.02 -4.72 0.00 3.41 -1.26 -4.84 113.62 104.32 3k8x n SER 2162Ca 0.11 -1.53 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 3k8x n SER 2162Cb 0.76 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 3k8x n SER 2162CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k8x s VAL 2163N -2.27 3.30 -0.45 -3.33 1.01 -0.45 -4.98 120.40 113.23 3k8x s VAL 2163Ca 0.26 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 3k8x s VAL 2163Cb 0.19 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.97 3k8x s VAL 2163CO 0.45 0.10 0.94 -0.62 0.00 0.00 0.00 175.10 175.97 3k8x s ASP 2164N 0.81 6.53 0.55 3.32 -1.08 -1.26 -4.94 116.67 120.60 3k8x s ASP 2164Ca 0.61 0.19 0.28 0.00 -0.52 0.00 0.00 52.55 53.11 3k8x s ASP 2164Cb -0.36 -2.46 1.46 0.00 -1.46 0.00 0.00 42.92 40.09 3k8x s ASP 2164CO 0.33 -1.05 1.96 0.45 0.52 0.00 0.00 175.17 177.39 3k8x h HIS 2165N 9.03 0.00 0.00 -5.34 3.86 -1.96 0.20 115.15 120.93 3k8x h HIS 2165Ca -0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3k8x h HIS 2165Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3k8x h HIS 2165CO 0.87 0.00 0.00 0.39 0.86 0.00 0.00 177.93 180.05 3k8x n GLU 2166N -4.15 0.17 -3.32 2.45 1.02 -1.26 -4.74 120.64 110.82 3k8x n GLU 2166Ca 0.11 0.04 -0.44 0.00 -0.02 0.00 0.00 57.16 56.85 3k8x n GLU 2166Cb 0.67 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 3k8x n GLU 2166CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k8x s ASP 2167N -2.81 6.18 0.13 1.62 3.68 0.06 -4.94 116.67 120.59 3k8x s ASP 2167Ca 0.19 -0.99 -0.15 0.00 2.13 0.00 0.00 52.55 53.72 3k8x s ASP 2167Cb 0.18 -2.22 -0.01 0.00 -1.45 0.00 0.00 42.92 39.42 3k8x s ASP 2167CO 0.45 -0.67 1.64 0.44 0.13 0.00 0.00 175.17 177.16 3k8x h ASP 2168N 8.80 0.60 -0.44 -0.34 3.45 -1.86 -1.01 116.42 125.62 3k8x h ASP 2168Ca -0.27 -0.22 -0.09 0.00 0.43 0.00 0.00 57.03 56.88 3k8x h ASP 2168Cb 1.11 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 3k8x h ASP 2168CO 0.86 0.66 -0.09 -0.09 -1.57 0.00 0.00 179.24 179.01 3k8x h ARG 2169N 0.52 0.85 -0.39 3.56 2.43 -1.92 -0.92 114.38 118.50 3k8x h ARG 2169Ca 0.13 -0.32 -0.13 0.00 -0.81 0.00 0.00 59.98 58.86 3k8x h ARG 2169Cb 0.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3k8x h ARG 2169CO -0.00 0.95 -0.24 0.37 -1.51 0.00 0.00 179.97 179.53 3k8x h GLN 2170N 0.68 0.86 -0.33 0.20 4.15 -1.90 0.23 115.11 119.00 3k8x h GLN 2170Ca 0.11 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.12 3k8x h GLN 2170Cb 0.62 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3k8x h GLN 2170CO 0.04 1.04 0.15 0.28 -1.93 0.00 0.00 178.83 178.41 3k8x h VAL 2171N 0.66 1.17 -0.52 2.39 2.07 -1.06 0.51 116.25 121.46 3k8x h VAL 2171Ca 0.08 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 3k8x h VAL 2171Cb 0.81 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3k8x h VAL 2171CO 0.07 0.18 0.04 0.00 0.02 0.00 0.00 177.57 177.88 3k8x h ALA 2172N 1.00 0.70 -0.21 1.67 0.00 -0.95 -1.40 119.26 120.08 3k8x h ALA 2172Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k8x h ALA 2172Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k8x h ALA 2172CO -0.01 0.48 0.12 1.15 0.00 0.00 0.00 179.25 180.98 3k8x h THR 2173N 0.77 1.10 -0.46 0.00 2.02 -0.35 -1.46 112.91 114.53 3k8x h THR 2173Ca 0.15 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 3k8x h THR 2173Cb 0.47 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3k8x h THR 2173CO 0.02 0.10 0.02 -0.25 0.37 0.00 0.00 175.52 175.78 3k8x h TRP 2174N 0.23 0.87 -0.11 3.16 7.01 -0.66 -1.85 115.95 124.60 3k8x h TRP 2174Ca 0.07 -0.14 0.02 0.00 2.11 0.00 0.00 58.89 60.95 3k8x h TRP 2174Cb 0.06 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 3k8x h TRP 2174CO -0.04 0.83 -0.04 0.82 -2.79 0.00 0.00 178.44 177.22 3k8x h ILE 2175N 0.65 0.86 0.00 2.65 2.04 -1.20 -1.71 117.51 120.80 3k8x h ILE 2175Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3k8x h ILE 2175Cb 0.47 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3k8x h ILE 2175CO 0.02 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.77 3k8x h GLU 2176N -0.02 0.00 0.00 2.37 5.08 -1.13 0.74 114.58 121.62 3k8x h GLU 2176Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3k8x h GLU 2176Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3k8x h GLU 2176CO -0.12 0.07 -0.06 0.93 -1.00 0.00 0.00 179.01 178.83 3k8x h GLU 2177N 0.00 0.00 0.00 2.33 5.08 -0.86 -3.35 114.58 117.78 3k8x h GLU 2177Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k8x h GLU 2177Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3k8x h GLU 2177CO 0.01 0.06 -0.03 0.09 -1.00 0.00 0.00 179.01 178.14 3k8x n ASN 2178N -3.17 1.80 -0.22 1.42 3.02 0.09 -4.84 115.26 113.36 3k8x n ASN 2178Ca 0.01 -2.29 0.01 0.00 -0.03 0.00 0.00 54.58 52.28 3k8x n ASN 2178Cb 0.37 -0.17 0.09 0.00 -0.61 0.00 0.00 39.78 39.47 3k8x n ASN 2178CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3k8x h TYR 2179N 0.00 -0.23 -0.47 3.10 0.99 -1.26 0.23 116.97 119.33 3k8x h TYR 2179Ca 0.00 0.06 -0.10 0.00 2.00 0.00 0.00 58.73 60.68 3k8x h TYR 2179Cb 0.79 0.20 -0.01 0.00 1.00 0.00 0.00 36.73 38.71 3k8x h TYR 2179CO 0.01 -0.25 -0.11 0.87 -0.00 0.00 0.00 178.16 178.68 3k8x h LYS 2180N 0.04 0.90 -0.75 4.88 1.57 -1.89 0.84 116.57 122.17 3k8x h LYS 2180Ca 0.33 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3k8x h LYS 2180Cb 0.53 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3k8x h LYS 2180CO -0.64 0.99 0.38 1.15 -0.57 0.00 0.00 179.45 180.77 3k8x h THR 2181N 0.74 1.23 -0.76 -0.16 2.02 -1.54 -0.37 112.91 114.08 3k8x h THR 2181Ca 0.12 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 3k8x h THR 2181Cb 0.66 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3k8x h THR 2181CO 0.05 0.27 0.25 -0.07 0.37 0.00 0.00 175.52 176.38 3k8x h LEU 2182N 1.04 1.10 -0.61 2.58 3.38 -0.46 -1.86 115.31 120.48 3k8x h LEU 2182Ca 0.26 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3k8x h LEU 2182Cb 0.08 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3k8x h LEU 2182CO -0.04 1.01 0.28 -0.78 0.09 0.00 0.00 178.44 179.00 3k8x h ASP 2183N 1.13 0.36 -0.71 -0.43 -0.00 -0.18 -0.30 116.42 116.28 3k8x h ASP 2183Ca 0.25 0.05 0.05 0.00 -0.00 0.00 0.00 57.03 57.38 3k8x h ASP 2183Cb 0.29 -0.01 -0.05 0.00 -0.00 0.00 0.00 39.33 39.57 3k8x h ASP 2183CO -0.01 0.23 0.43 0.44 -0.00 0.00 0.00 179.24 180.32 3k8x h ASP 2184N 0.52 0.67 -0.47 2.28 3.32 -0.80 -1.13 116.42 120.80 3k8x h ASP 2184Ca 0.29 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.37 3k8x h ASP 2184Cb 0.28 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3k8x h ASP 2184CO -0.24 0.44 0.30 0.50 -1.72 0.00 0.00 179.24 178.52 3k8x h LYS 2185N 0.80 0.59 -0.28 3.56 1.63 -0.54 0.19 116.57 122.51 3k8x h LYS 2185Ca 0.31 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 60.09 3k8x h LYS 2185Cb 0.12 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 3k8x h LYS 2185CO -0.15 0.39 0.14 -0.07 -3.45 0.00 0.00 179.45 176.31 3k8x h LEU 2186N 0.61 0.21 -1.42 5.20 3.38 -0.56 -2.05 115.31 120.68 3k8x h LEU 2186Ca 0.18 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3k8x h LEU 2186Cb -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3k8x h LEU 2186CO -0.05 0.16 -0.27 0.11 0.09 0.00 0.00 178.44 178.48 3k8x h LYS 2187N 0.30 0.04 -0.02 1.13 1.57 -0.94 -2.08 116.57 116.56 3k8x h LYS 2187Ca 0.12 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3k8x h LYS 2187Cb 0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3k8x h LYS 2187CO -0.08 0.30 0.03 0.78 -0.57 0.00 0.00 179.45 179.91 3k8x h GLY 2188N 0.84 0.00 0.19 3.86 0.00 0.09 -2.12 103.07 105.94 3k8x h GLY 2188Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 3k8x h GLY 2188CO 0.04 0.00 -1.85 1.04 0.00 0.00 0.00 176.54 175.76 3k8x n LEU 2189N -3.71 2.25 -0.20 3.11 4.32 -0.91 -3.62 117.00 118.24 3k8x n LEU 2189Ca -0.02 0.28 0.08 0.00 -0.02 0.00 0.00 56.01 56.32 3k8x n LEU 2189Cb 0.11 -0.98 0.36 0.00 -1.62 0.00 0.00 43.42 41.29 3k8x n LEU 2189CO 0.26 0.58 1.22 0.50 -1.22 0.00 0.00 177.39 178.73 3k8x h LYS 2190N -0.55 0.71 0.00 3.23 3.64 -1.15 -1.78 116.57 120.67 3k8x h LYS 2190Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3k8x h LYS 2190Cb 1.65 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3k8x h LYS 2190CO -0.14 0.47 -0.66 -0.07 -2.27 0.00 0.00 179.45 176.77 3k8x h LEU 2191N 0.73 0.00 -0.65 5.20 3.38 -1.60 -3.22 115.31 119.15 3k8x h LEU 2191Ca 0.34 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3k8x h LEU 2191Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3k8x h LEU 2191CO -0.12 0.03 0.00 1.05 0.09 0.00 0.00 178.44 179.49 3k8x h GLU 2192N 0.00 0.00 0.00 1.13 -0.00 -1.40 -3.51 114.58 110.79 3k8x h GLU 2192Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3k8x h GLU 2192Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.66 3k8x h GLU 2192CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.44